diff --git "a/AggregatorAdvisor/train.csv" "b/AggregatorAdvisor/train.csv"
new file mode 100644--- /dev/null
+++ "b/AggregatorAdvisor/train.csv"
@@ -0,0 +1,10117 @@
+new SMILES,substance_id,aggref_index,logP,reference
+O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2,NCGC00140539-01,18,6.1098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCN1CCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S+]2[O-],MLS000117750-01,18,3.9784,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2,NCGC00104156-01,18,5.6048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2,NCGC00104160-01,18,4.9514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2,NCGC00104190-01,18,5.7439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2,NCGC00104210-01,18,5.0905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1=Nc2cc(C(=O)NCCc3ccccc3)ccc2Sc2ccc(C)cc21,NCGC00107615-01,18,6.353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCCc4ccc(C)cc4)cc32)c1,NCGC00108122-01,18,6.2877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCc4ccccc4)cc32)c1,NCGC00108124-01,18,5.9368,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2,NCGC00108150-01,18,6.3137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCCc4ccccc4)cc32)cc1,NCGC00108212-01,18,6.3694,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1S2,NCGC00108220-01,18,6.6894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)C(=O)c2ccccc2S3(=O)=O)cc1,NCGC00109476-01,18,5.2691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O,NCGC00109546-01,18,5.3057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S+]2[O-],NCGC00109588-01,18,5.1253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O,NCGC00109614-01,18,5.4448,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O,NCGC00109709-01,18,5.4392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O,NCGC00109861-01,18,4.6098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)cc1,NCGC00109871-01,18,4.9182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O,NCGC00109891-01,18,5.3001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(F)c1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O,NCGC00111854-01,18,5.0712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCNC(=O)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2,NCGC00113731-01,18,6.1658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1ccco1)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2,NCGC00131999-01,18,6.0873,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1ccc(F)cc1,NCGC00138155-01,18,6.132,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCc4ccco4)cc32)cc1,NCGC00139720-01,18,5.8296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NC4CCCCC4)cc32)cc1,NCGC00139722-01,18,6.3691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCCc4ccccc4)cc32)c1,NCGC00139852-01,18,6.2791,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCc4ccco4)cc32)c1,NCGC00139854-01,18,5.8296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCc4cccs4)cc32)c1,NCGC00139856-01,18,6.2981,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2,NCGC00139858-01,18,5.6706,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2,NCGC00139880-01,18,5.5212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2,NCGC00139944-01,18,5.0905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2,NCGC00140009-01,18,6.1746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3)cc1OC,NCGC00140011-01,18,6.6413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2,NCGC00140015-01,18,6.4275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCc4ccco4)cc32)c1,NCGC00140040-01,18,6.138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCc4cccs4)cc32)c1,NCGC00140046-01,18,6.6065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCc3ccccc3)cc21,NCGC00140200-01,18,6.2791,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CN1C(=O)c2ccccc2Sc2ccc(C(=O)NC(C)c3ccccc3)cc21,NCGC00140204-01,18,6.7976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3cccs3)cc21,NCGC00140208-01,18,6.2981,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccs1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2,NCGC00140369-01,18,6.6431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3)CC1,NCGC00140371-01,18,6.4458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2,NCGC00140449-01,18,6.324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2,NCGC00140481-01,18,6.6241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccccc2Cl)C(=O)c2ccccc2S3)cc1OC,NCGC00140483-01,18,6.6413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccccc1)C(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2,NCGC00140485-01,18,6.9238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccs1)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2,NCGC00140499-01,18,6.1288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2,NCGC00140511-01,18,5.796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2)C1CCCCC1,NCGC00140513-01,18,6.542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2,NCGC00140515-01,18,5.8097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2,NCGC00140517-01,18,6.1998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(NC(=O)c2ccc3c(c2)N(Cc2cccc(F)c2)C(=O)c2ccccc2S3)CC1,NCGC00140519-01,18,6.4458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2)c1ccccc1,NCGC00140523-01,18,6.6283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(F)c2)C(=O)c2ccccc2S3)cc1,NCGC00140529-01,18,6.4182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O,NCGC00140560-01,18,5.2632,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)cc1,NCGC00140562-01,18,5.6141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2,NCGC00140635-01,18,5.8097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O,NCGC00140654-01,18,5.9535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1,MLS000078493-01,18,3.8538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)c1,MLS000047554-01,18,3.3753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2,MLS000050951-01,18,4.4216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)n2)cc1,MLS000051825-01,18,4.7366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1Cc1ccc2c(c1)OCO2,MLS000056325-01,18,4.1038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1,MLS000067810-01,18,2.4017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)ncnc32)cc1,MLS000094060-01,18,2.7211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc3c(c2)OCO3)c(OC)c1,MLS000095260-01,18,3.8624,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(c2=O)SCC3)cc1,MLS000101291-01,18,3.7389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1ccc2c(c1)OCCO2,MLS000101300-01,18,4.0361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(CCc3ccccc3)c(=O)c2S1,MLS000101671-01,18,3.9822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c3nc(SCC(=O)Nc4ccc5c(c4)OCO5)nnc3c2c1,MLS000121584-01,18,2.9742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-n2c(SCC(=O)Nc3ccc4c(c3)CCC4)nc3ccccc3c2=O)c1,MLS000334092-01,18,4.6138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(-n2c(SCC(=O)NCc3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1,MLS000334222-01,18,4.1397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2c(c1)CCC2,MLS000334406-01,18,4.7443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc2c(c1)CCC2,MLS000334407-01,18,4.8834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)CCC2,MLS000334435-01,18,4.7443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1,MLS000339538-01,18,3.9299,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-n1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2cc([N+](=O)[O-])ccc21,MLS000388903-01,18,4.0795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc3c2=O)c1,MLS000391110-01,18,4.8506,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc2c(c1)OCO2,MLS000391595-01,18,4.426,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)nc3ccccc3c2=O)cc1,MLS000393196-01,18,4.0992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1,MLS000393811-01,18,3.7908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-n2c(SCC(=O)Nc3cccc(S(=O)(=O)NC4=NCCCCC4)c3)nc3ccccc3c2=O)cc1,MLS000393996-01,18,4.9297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,MLS000402281-01,18,3.9299,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,MLS000418653-01,18,3.9299,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3c(oc4ccccc43)c2=O)cc1,MLS000418803-01,18,5.4795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nn2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1,MLS000520798-01,18,3.764,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1,MLS000555990-01,18,4.2439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1,MLS000556057-01,18,5.565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)Nc1ccc2c(c1)OCCO2,MLS000556790-01,18,4.7226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1,MLS000566237-01,18,4.0576,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(-n2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)c1,MLS000566294-01,18,4.004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1,MLS000569426-01,18,4.6305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCc2ccccc21,MLS000579939-01,18,4.0671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1,MLS000583513-01,18,4.7751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)c1,MLS000583550-01,18,4.2457,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nsc(SCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1,MLS000720375-01,18,3.6732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccccc2)c1,MLS000722143-01,18,5.1711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccccc2)c1,MLS000722153-01,18,5.4795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccccc3)[nH]2)c1,NCGC00107650-01,18,5.5116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccccc3)[nH]2)c1,NCGC00107654-01,18,5.2118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1,NCGC00107682-01,18,5.2118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1,NCGC00107686-01,18,5.2204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccccc3)[nH]2)cc1,NCGC00107692-01,18,5.2543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccccc3)[nH]2)c1,NCGC00107694-01,18,5.2543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1,NCGC00107726-01,18,5.2543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc32)c1,NCGC00108662-01,18,3.4584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccc(F)cc2)c1,NCGC00112648-01,18,5.3102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccc(C)c(C)c2)cc1,NCGC00112674-01,18,5.4881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3c(oc4ccccc43)c2=O)cc1,NCGC00112686-01,18,5.4795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3c(oc4ccccc43)c2=O)cc1,NCGC00112714-01,18,5.4881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2,NCGC00135421-01,18,4.5081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c([nH]c4ccccc43)c2=O)c1,NCGC00135481-01,18,4.9858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2,NCGC00135687-01,18,4.3265,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccccc2)c1,NCGC00135695-01,18,4.6064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c([nH]c4ccccc43)c2=O)cc1,NCGC00135702-01,18,4.7677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2cccc(Cl)c2)=NN1c1ccccc1,NCGC00159711-01,18,4.8346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@@H]1C(c2ccc(F)cc2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O,MLS000518753-01,18,4.1898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2ccc(F)cc2)=NN1c1ccccc1,MLS000518764-01,18,4.3203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@@H]1C(c2ccccc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159607-01,18,4.8132,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@H]2c2ccc(F)cc2)c1,NCGC00159617-01,18,4.5031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(F)cc2)c1,NCGC00159620-01,18,4.4896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1,NCGC00159622-01,18,5.458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2cccc(Cl)c2)=NN1c1ccc(Br)cc1,NCGC00159623-01,18,5.5971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1,NCGC00159626-01,18,4.7128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2ccc(F)cc2)=NN1c1ccccc1,NCGC00159627-01,18,4.0894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(Cl)cc2)c1,NCGC00159633-01,18,5.0039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1,NCGC00159644-01,18,4.9437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2cccc(Cl)c2)=NN1c1ccccc1,NCGC00159647-01,18,4.6955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(Cl)cc2)c1,NCGC00159658-01,18,5.7664,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1,NCGC00159667-01,18,5.0212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC[C@@H]1[C@@H](c2ccc(Cl)cc2)C(c2cccc(Cl)c2)=NN1c1ccccc1,NCGC00159670-01,18,5.3624,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC[C@@H]1[C@@H](c2ccccc2)C(c2cccc(Cl)c2)=NN1c1ccccc1,NCGC00159674-01,18,4.709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC[C@@H]1[C@@H](c2ccc(Cl)cc2)C(c2ccc(F)cc2)=NN1c1ccccc1,NCGC00159681-01,18,4.8481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2cccc(Cl)c2)=NN1c1ccccc1,NCGC00159685-01,18,5.3489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159687-01,18,4.3103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1,NCGC00159690-01,18,4.2587,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159697-01,18,4.0507,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(F)cc2)c1,NCGC00159701-01,18,5.2521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1,NCGC00159702-01,18,4.6955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@@H]1C(c2ccc(F)cc2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159703-01,18,4.1898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@@H]1C(c2cccc(C)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159709-01,18,4.3554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccccc2)c1,NCGC00159710-01,18,5.113,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2ccc(F)cc2)=NN1c1ccccc1,NCGC00159712-01,18,4.3203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159717-01,18,4.7004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1,NCGC00159718-01,18,4.0421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1,NCGC00159719-01,18,3.9503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccc(Br)cc1,NCGC00159728-01,18,4.8046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2cccc(Cl)c2)=NN1c1ccc(Br)cc1,NCGC00159729-01,18,5.458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2ccc(F)cc2)=NN1c1ccccc1,NCGC00159731-01,18,4.8346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@@H]1C(c2ccccc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159746-01,18,4.047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2cccc(Cl)c2)=NN1c1ccc(Br)cc1,NCGC00159747-01,18,6.1114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1,NCGC00159748-01,18,4.9437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccccc2)c1,NCGC00159749-01,18,4.3505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159756-01,18,5.4666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1,NCGC00159761-01,18,5.5971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1,NCGC00159771-01,18,5.0828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@@H]1C(c2cccc(C)c2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159772-01,18,4.3591,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@@H]1C(c2cccc(C)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159783-01,18,5.1216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@@H]1C(c2ccc(F)cc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159791-01,18,4.1861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159799-01,18,4.7041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2cccc(Cl)c2)=NN1c1ccc(Br)cc1,NCGC00159808-01,18,5.3662,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2ccc(F)cc2)=NN1c1ccccc1,NCGC00159809-01,18,4.1812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1,NCGC00159831-01,18,4.8519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H]1C(c2ccc(F)cc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159832-01,18,3.796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2cccc(Cl)c2)=NN1c1ccccc1,NCGC00159838-01,18,4.6037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159852-01,18,3.5478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H]1C(c2ccccc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00159853-01,18,3.6569,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC[C@@H]1[C@@H](c2ccc(F)cc2)C(c2cccc(Cl)c2)=NN1c1ccccc1,NCGC00159868-01,18,4.8481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2C)c1,NCGC00159875-01,18,3.9653,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@@H]1C(c2ccc(F)cc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O,NCGC00160004-01,18,4.9523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2nnn(CC(=O)Nc3cc(C)cc(C)c3)c2N)cc1,NCGC00108213-01,18,2.0544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)c(OC)c1,NCGC00084883-01,2,2.3172,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(Cn2nnc(C(=O)Nc3ccc(C)cc3)c2N)c1,NCGC00084907-01,2,2.4779,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)c1,NCGC00084909-01,2,2.4865,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(Cn2nnc(C(=O)NCc3ccccc3Cl)c2N)c1,NCGC00084913-01,2,2.5006,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c1,NCGC00084915-01,2,1.9863,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1,NCGC00084941-01,2,2.3639,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)cc(OC)c1,NCGC00084947-01,2,2.9,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(CNC(=O)c2nnn(Cc3ccc(OC)cc3)c2N)cc1,NCGC00084951-01,2,1.8558,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(Cn2nnc(C(=O)Nc3cc(OC)cc(OC)c3)c2N)cc1,NCGC00084971-01,2,2.5768,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(Cn2nnc(C(=O)Nc3cc(C)cc(C)c3)c2N)cc1,NCGC00084973-01,2,3.1764,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1,NCGC00084975-01,2,2.2373,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(Cn2nnc(C(=O)NCc3ccc(OC)cc3)c2N)cc1,NCGC00084977-01,2,2.2459,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3)c2N)cc1,NCGC00084981-01,2,3.0317,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1,NCGC00084983-01,2,2.7405,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(SC)c2)c1N,MLS000044807-01,18,2.4818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2N)c1,MLS000044818-01,18,2.0544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1C,MLS000044819-01,18,2.0458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)cc1,MLS000044820-01,18,1.7989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)cc1,MLS000044821-01,18,2.6766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1C,MLS000091876-01,18,2.3681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2)c1N,MLS000091877-01,18,1.7599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccc(F)cc1,MLS000116185-01,18,1.9777,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)c(OC)c1,MLS000117982-01,18,2.9,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)c(C)c1,MLS000519956-01,18,2.4158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)c1,MLS000520229-01,18,2.1073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)c1C,MLS000520230-01,18,2.1073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1,NCGC00105016-01,18,1.7799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2ccc3c(c2)OCO3)c1N,NCGC00108081-01,18,1.1663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)cc1,NCGC00108087-01,18,1.4991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2cccs2)c1N,NCGC00108093-01,18,1.7989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)c1,NCGC00108113-01,18,1.3304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)c1,NCGC00108115-01,18,1.7989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)c(OC)c1,NCGC00108145-01,18,1.0392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)cc1,NCGC00108155-01,18,1.5844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1,NCGC00108157-01,18,2.0339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)NCc2ccc3c(c2)OCO3)c1N,NCGC00108179-01,18,1.8197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)NCc2cccs2)c1N,NCGC00108181-01,18,2.1525,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)cc(C)c3)c2N)c1,NCGC00108191-01,18,2.985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2ccc(F)cc2)c1N,NCGC00108217-01,18,1.9668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(OC)cc3)c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc32)cc1,NCGC00108760-01,18,4.0467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(Cn2nnc(C(=O)Nc3ccc(C)cc3)c2N)cc1,NCGC00109712-01,18,3.0317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)NCc2ccccc2)nnn1Cc1cccc(Br)c1,NCGC00109734-01,18,2.6011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Br)c1N,NCGC00126362-01,18,2.5224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1,NCGC00126396-01,18,2.4528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1,NCGC00126422-01,18,1.1663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1CC(=O)Nc1ccc(Br)cc1,NCGC00126426-01,18,1.9202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3C)c2N)c1,NCGC00126452-01,18,2.3994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1Cl,NCGC00126488-01,18,2.4333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1C,NCGC00126490-01,18,2.0883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1cccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)c1,NCGC00141516-01,18,2.1934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccc2)cs1)c1cccc([N+](=O)[O-])c1,MLS000577289-01,18,3.9706,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1,2414563,18,2.7218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1,MLS000049197-01,18,3.0919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)o1,MLS000108587-01,18,4.4179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1ccc(C(=O)OC(C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1,MLS000335043-01,18,4.6895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1,MLS000335142-01,18,4.3775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1,MLS000335678-01,18,4.0854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(OC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1,MLS000335882-01,18,4.0414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,MLS000390904-01,18,4.4396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(OC(=O)c1ccccc1Br)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1,MLS000392173-01,18,4.6648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc2ccccc2s1,MLS000394635-01,18,2.1162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc([N+](=O)[O-])c1,MLS000417201-01,18,4.4491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)o1,MLS000530058-01,18,5.6308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1,MLS000530059-01,18,3.7997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1,MLS000536718-01,18,4.5689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccc3)cs2)c1,MLS000540285-01,18,3.5309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1,MLS000544091-01,18,3.3575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cncc(Br)c1,MLS000546120-01,18,4.0944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNc1nc(-c2ccccc2)cs1)c1ccccc1,MLS000547345-01,18,3.567,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1,MLS000551932-01,18,5.0863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1,MLS000553231-01,18,5.7294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccc1,MLS000564788-01,18,5.4307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccccc2)cs1,MLS000568544-01,18,5.0258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cccs1)Nc1nc(-c2ccccc2)cs1,MLS000571307-01,18,4.5235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1,MLS000572304-01,18,3.4534,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccs1,MLS000573260-01,18,3.9984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1,MLS000574492-01,18,3.9739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1cccc([N+](=O)[O-])c1,MLS000579413-01,18,5.1025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(CSCc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1,MLS000580027-01,18,4.7854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1cccc([N+](=O)[O-])c1,MLS000580028-01,18,4.6443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1,MLS000580243-01,18,3.298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccccc1,MLS000581769-01,18,3.8995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cccc(Br)c2)cs1)Oc1ccccc1,MLS000582777-01,18,5.1835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,MLS000582935-01,18,3.8072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(CSCc2ccccc2F)s1)c1cccc([N+](=O)[O-])c1,MLS000584751-01,18,4.2711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1,MLS000589446-01,18,3.5223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1,MLS000595169-01,18,4.5141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1csc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)n1,MLS000662646-01,18,2.2837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1,MLS000677173-01,18,2.082,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1,MLS000700027-01,18,4.0198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1,MLS000722286-01,18,3.8754,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc([N+](=O)[O-])c1,MLS000723141-01,18,3.9909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1=COCCO1,MLS000723246-01,18,4.3038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccc(Cl)cc4)ccc32)cc1,NCGC00131303-01,18,5.0422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc1,NCGC00044758-01,2,4.139,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc2c(c1)OCO2,NCGC00059028-01,2,3.419,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc2c(c1)OCO2,MLS000051655-01,18,3.419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2c(s1)CCCC2)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,MLS000416578-01,18,4.4157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1,MLS000540204-01,18,2.4029,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,MLS000696563-01,18,3.5015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,MLS000696642-01,18,3.2408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1,NCGC00117523-01,18,4.8137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1,NCGC00117525-01,18,4.3437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1,NCGC00117585-01,18,5.0329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc32)cc1,NCGC00117619-01,18,4.6156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4c(F)cccc4F)ccc32)cc1,NCGC00117623-01,18,4.2769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)ccc32)cc1,NCGC00117625-01,18,5.0175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4c(C)cccc4C(C)C)ccc32)cc1,NCGC00117653-01,18,5.4305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1,NCGC00117655-01,18,4.0214,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1,NCGC00117657-01,18,4.03,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1,NCGC00117681-01,18,5.2145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1,NCGC00117683-01,18,4.6219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1,NCGC00117685-01,18,4.7424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,NCGC00117711-01,18,4.0538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1,NCGC00117715-01,18,4.1929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1,NCGC00117717-01,18,4.03,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Br)cc2)cc1,NCGC00117719-01,18,4.4389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1,NCGC00131273-01,18,4.3974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)cc1,NCGC00131293-01,18,4.406,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4c(F)cccc4F)ccc32)cc1,NCGC00131295-01,18,4.667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cccc(Cl)c4)ccc32)cc1,NCGC00131299-01,18,5.0422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1,NCGC00131301-01,18,4.7875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)c(OC)c1,NCGC00131305-01,18,4.406,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccc(C(F)(F)F)cc4)ccc32)cc1,NCGC00131325-01,18,5.4076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1,NCGC00131327-01,18,5.5677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(C)c(C)c4)ccc32)cc1,NCGC00131331-01,18,4.5542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1,NCGC00131335-01,18,4.336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4cc(C)ccc4C)ccc32)cc1,NCGC00131359-01,18,4.5542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)c(C)c4)ccc32)cc1,NCGC00131361-01,18,4.3848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)ccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc12,NCGC00134167-01,18,5.6519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F,NCGC00139272-01,18,5.012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCCc3ccccc32)c1,NCGC00139405-01,18,4.982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2F)cc1Cl,NCGC00139601-01,18,4.7912,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F,NCGC00139609-01,18,4.8363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F,NCGC00141913-01,18,4.4828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)cc1,NCGC00109869-01,18,4.6184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc2C1O,NCGC00084704-01,2,2.4819,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1,MLS000546082-01,18,4.2922,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O,NCGC00109478-01,18,4.9268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)NCCC4=CCCCC4)cc32)c1,NCGC00109480-01,18,5.6085,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCc2ccccc21,NCGC00109488-01,18,5.5361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S+]2[O-],NCGC00109532-01,18,5.0828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)c1ccccc1,NCGC00109542-01,18,5.8242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O,NCGC00109548-01,18,5.3957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)cc1,NCGC00109638-01,18,5.0573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O,NCGC00109644-01,18,5.4392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(CN2C(=O)c3ccccc3[S+]([O-])c3ccc(C(=O)NCc4ccccc4)cc32)c1,NCGC00109662-01,18,5.5605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)NCc4ccccc4)cc32)c1,NCGC00109775-01,18,5.2266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)N1CCc2ccccc21,NCGC00109803-01,18,4.8827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O,NCGC00111856-01,18,5.5855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)Nc4ccccc4C(F)(F)F)cc32)c1,NCGC00111922-01,18,6.5677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)cc1,NCGC00112085-01,18,5.0459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1,NCGC00128894-01,18,5.245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NCc4ccccc4C)cc3)S2(=O)=O)cc1,NCGC00129106-01,18,4.0368,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(C)cc4)S3(=O)=O)cc2)cc1,NCGC00129380-01,18,4.0368,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCc3ccccc3)cc21,NCGC00139456-01,18,5.2521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCc3ccc(Cl)cc3)cc21,NCGC00139460-01,18,5.9055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O,NCGC00140564-01,18,4.8562,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O,NCGC00140624-01,18,5.3957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O,NCGC00140648-01,18,5.2718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(NC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)CC1,NCGC00140650-01,18,5.6417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1cc(-c2ccccc2)nc2ccccc12,MLS000394398-01,18,4.6106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2ccccc2)cs1)Nc1nccs1,NCGC00042253-01,2,3.9974,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1,NCGC00085157-01,2,4.512,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)c1,MLS000097082-01,18,4.2567,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(-c2cc(C(=O)NNC(=O)Nc3ccccc3)c3ccccc3n2)cc1,MLS000324519-01,18,5.6658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12,MLS000324563-01,18,5.3106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12,MLS000324776-01,18,5.619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=S)NC(=O)c1cc(-c2ccccc2)nc2ccccc12,MLS000324835-01,18,5.337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc13)oc1ccccc12,MLS000333864-01,18,6.4571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1cc(-c2ccccc2)nn1-c1ccccc1,MLS000336207-01,18,4.2481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccncc2)nc2ccccc12,MLS000336349-01,18,4.8844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1,MLS000336360-01,18,4.919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1cc(-c2ccco2)nc2ccccc12,MLS000389856-01,18,4.2036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1,MLS000409315-01,18,4.4659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(C)c1,MLS000417735-01,18,5.2274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)Cc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1,MLS000537185-01,18,5.5942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C,MLS000543555-01,18,5.5724,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)Nc1ccccc1,MLS000545716-01,18,5.6751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1nccs1,MLS000552333-01,18,4.4841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2s1)Nc1nccs1,MLS000557018-01,18,3.4836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)nc2ccccc12,MLS000576011-01,18,4.9253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc(-c2cccc(Br)c2)nc2ccccc12,MLS000578291-01,18,5.2198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1C,MLS000578866-01,18,4.3512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1,MLS000579668-01,18,5.324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1,MLS000579674-01,18,5.2398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3n2)c(C)c1,MLS000579675-01,18,6.0282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(CC)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1,MLS000579901-01,18,5.9092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,MLS000579944-01,18,5.1846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1,MLS000582182-01,18,5.7978,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc(-c2cccc(Cl)c2)nc2ccccc12,MLS000582183-01,18,5.1107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12,MLS000582186-01,18,5.619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1,MLS000582207-01,18,4.6869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1=NCCS1)c1cc(-c2cccc(Br)c2)nc2ccccc12,MLS000680751-01,18,4.4969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccccn1)c1cc(-c2ccccc2)nc2ccccc12,MLS000698230-01,18,4.4236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1,MLS000699713-01,18,5.5359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)no1,MLS000702221-01,18,5.0674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccccc2)o1)c1cc(-c2cccs2)nc2ccccc12,MLS000724685-01,18,5.2656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,NCGC00025131-02,18,4.5459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)c1,NCGC00100796-01,18,5.8324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CSC2=C(C#N)C(c3ccc(SC)cc3)CC(=O)N2C1,MLS000117254-01,18,4.6366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CSC3=C(C#N)C(c4ccc(C)o4)CC(=O)N3C2)c1,NCGC00066497-01,2,4.1159,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccccc1N1CSC2=C(C#N)C(c3ccccc3F)CC(=O)N2C1,NCGC00084465-01,2,4.6076,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1,NCGC00084471-01,2,4.4685,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1,NCGC00084507-01,2,4.8765,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1N1CSC2=C(C#N)C(c3ccc(SC)cc3)CC(=O)N2C1,NCGC00084509-01,2,4.6366,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1OC,NCGC00084513-01,2,4.8851,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N2CSC3=C(C#N)C(c4cccc(OC)c4OC)CC(=O)N3C2)cc1,NCGC00084515-01,2,3.9319,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)c1ccc(C2CC(=O)N3CN(C)CSC3=C2C#N)cc1,NCGC00084517-01,2,3.4547,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1,NCGC00084519-01,2,4.0538,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(OC)c(C2CC(=O)N3CN(C)CSC3=C2C#N)cc1OC,NCGC00084541-01,2,2.3571,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)CC1c1cccc(F)c1,NCGC00084543-01,2,4.1843,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(Br)cc1C1CC(=O)N2CN(C)CSC2=C1C#N,NCGC00084549-01,2,3.1024,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(Br)cc1C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N,NCGC00084551-01,2,4.6728,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2ccccc2c1C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N,NCGC00084569-01,2,4.6565,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccccc1N1CSC2=C(C#N)C(c3c(OC)ccc4ccccc34)CC(=O)N2C1,NCGC00084571-01,2,5.4666,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN1CSC2=C(C#N)C(c3cccc(OCc4ccccc4)c3)CC(=O)N2C1,NCGC00084575-01,2,3.9103,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(C2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1,NCGC00084577-01,2,4.8851,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)ccc1OCc1ccccc1,NCGC00084581-01,2,5.0823,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1c(Cl)cccc1Cl,NCGC00084583-01,2,5.2129,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1ccccc1Cl,NCGC00084601-01,2,4.5595,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1,NCGC00084799-01,2,4.0624,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)c(OC)c1,16020364,18,4.0514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1,4971465,18,4.0428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)c1,3160875,18,4.0428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,MLS000080651-01,18,4.53,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,MLS000080652-01,18,3.9762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1cccs1,MLS000080654-01,18,3.9676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1,MLS000117242-01,18,4.4685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1ccccc1Cl,MLS000117244-01,18,4.5595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1,MLS000117248-01,18,4.5767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1OC,MLS000117256-01,18,4.8851,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2CSC3=C(C#N)C(c4ccc(OC)cc4OC)CC(=O)N3C2)cc1,MLS000117260-01,18,4.1,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2ccccc2c1C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N,MLS000117269-01,18,4.6565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2ccccc2c1C1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N,MLS000117271-01,18,5.196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(N2CSC3=C(C#N)C(c4ccccc4Cl)CC(=O)N3C2)cc1,MLS000117274-01,18,4.9582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1c(Cl)cccc1Cl,MLS000117276-01,18,5.2129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1,MLS000100503-01,18,3.1221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1,NCGC00037253-01,2,3.9084,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Oc1cccc(NC(=O)c2ccco2)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,MLS000026954-01,18,4.6882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1,MLS000028175-01,18,4.2697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,MLS000055156-01,18,3.6893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(C(=O)Nc2cccc(N3CCCC3)c2)c1,MLS000066412-01,18,3.5563,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,MLS000100505-01,18,4.2985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,MLS000103406-01,18,2.4886,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Nc2cccc(SC)c2)c1,MLS000109383-01,18,3.6694,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1,MLS000110450-01,18,2.797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1-c1ccccc1,MLS000336714-01,18,4.4137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,MLS000339634-01,18,4.812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(Cl)cc1Cl,MLS000374326-01,18,4.812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ccccc2n1,MLS000393569-01,18,3.6617,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc2ccccc2n1,MLS000393612-01,18,4.0518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1,MLS000395041-01,18,4.0534,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2)cc1,MLS000408880-01,18,4.313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1,MLS000416865-01,18,3.8776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,MLS000529710-01,18,3.5543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1cccc(NC(=O)c2ccco2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1,MLS000530360-01,18,3.9257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,MLS000531030-01,18,3.3854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1,MLS000540667-01,18,4.7328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,MLS000547493-01,18,4.422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1,MLS000555096-01,18,4.0041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1,MLS000571677-01,18,5.5139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c1,MLS000581542-01,18,4.0794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1,MLS000585164-01,18,3.7229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cc(Cl)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,MLS000595132-01,18,2.9841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc1-c1ccccc1,MLS000696971-01,18,4.8038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1,MLS000697180-01,18,4.3698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1,NCGC00098342-01,18,5.5066,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1,NCGC00102560-01,18,3.8552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)cc1F,NCGC00122059-01,18,2.8891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc12,NCGC00134157-01,18,3.9778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1,NCGC00141427-01,18,3.2041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21,MLS000051054-01,18,4.5209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(-c2ccc(Cl)cc2)n1,NCGC00045300-01,2,3.565,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21,NCGC00060357-01,2,4.5209,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1c2ccccc2c2cc(NC(=O)c3ccc(Br)o3)ccc21,1721956,18,5.4222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc(NC(=O)CSc3nnnn3-c3ccccc3)ns2)cc1,MLS000043640-01,18,3.22,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccco3)ccc21,MLS000053317-01,18,5.6554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccccc1)CC(=O)Nc1ccc(Cl)cc1,MLS000054158-01,18,3.0057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCCC2,MLS000054159-01,18,3.12,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCO2,MLS000068965-01,18,2.653,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1nnnc1SCC(=O)Nc1ccc(OCc2ccccc2)cc1,MLS000074794-01,18,3.0028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(-c2ccc(Cl)cc2)n1,MLS000085595-01,18,3.565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2-c2ccccc2)C1c1ccccc1,MLS000096994-01,18,4.4906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccccc3Br)ccc21,MLS000389952-01,18,5.3724,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccccc3F)ccc21,MLS000402488-01,18,4.749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1,MLS000527897-01,18,3.441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1,MLS000537483-01,18,4.7472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccc(F)c4)o3)ccc21,MLS000538095-01,18,5.7343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4-c4ccccc4)cc3s2)c1C,MLS000538724-01,18,5.3504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1,MLS000538960-01,18,4.0363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)COc3ccc(OC)cc3)ccc21,MLS000544107-01,18,4.8405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)C(C)Oc3ccccc3)ccc21,MLS000545903-01,18,5.2204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)c3cccc(OC)c3)ccc21,MLS000557049-01,18,5.0753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)c3ccccc3n4CC)n2N)cc1,MLS000558022-01,18,4.9162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccc(OC)cc4)n3N)ccc21,MLS000558042-01,18,4.5261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccc(OC)c4)n3N)ccc21,MLS000558212-01,18,4.5261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1cccc(-n2nnnc2SCC(=O)c2ccc(C)c(C)c2)c1,MLS000559227-01,18,3.6026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21,MLS000564499-01,18,4.9749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4-c4ccccc4)cc3s2)c(C)c1,MLS000567611-01,18,5.6589,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3)ccc21,MLS000571835-01,18,4.8319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc2c(c1)CCC2,MLS000572756-01,18,3.5352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21,MLS000578042-01,18,4.9749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)c3cccc(OC)c3OC)ccc21,MLS000580072-01,18,5.0839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2-c2ccccc2)cc1C,MLS000580109-01,18,4.6769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc21,MLS000588796-01,18,5.0839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)COc3ccc(C)cc3C)ccc21,NCGC00100419-01,18,5.4487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21,NCGC00101224-01,18,6.1021,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1,MLS000071662-01,18,4.8193,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)cc1,MLS000032125-01,18,4.8341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1,MLS000049069-01,18,4.2293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)nnc1-c1ccco1,MLS000049182-01,18,6.0875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1O,MLS000052796-01,18,4.8333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)c(C)o1,MLS000055280-01,18,3.8154,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2cccc(OC)c2o1,MLS000068388-01,18,3.9071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(C)c(C)s1,MLS000073946-01,18,3.6929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(OC)cc1,MLS000096861-01,18,4.3141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)CSc3ncn(-c4ccccc4)n3)n2)cc1,MLS000097398-01,18,4.43,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2)n1,MLS000118612-01,18,4.1877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1nc(-c2ccccc2)cs1,MLS000120988-01,18,4.8357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(NC(=O)CSc3nc(SC)ns3)n2)cc1,MLS000332372-01,18,4.1229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2cccc(Br)c2)cs1,MLS000389804-01,18,5.1797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)/C=C/c1cccs1)Nc1nc(-c2ccccc2)cs1,MLS000391391-01,18,4.0667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=S)SCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1,MLS000391829-01,18,4.5657,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)cs1,MLS000409043-01,18,4.6821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1nc(C)cs1,MLS000523509-01,18,3.2833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2-c2ccccc2)n1,MLS000528612-01,18,5.8207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)CSc3nc(C)cc(O)n3)n2)cc1,MLS000531815-01,18,3.6533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(Br)cc1,MLS000534924-01,18,5.068,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1,MLS000534972-01,18,3.8226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1nc(C)cs1,MLS000539236-01,18,3.9367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)CSC3=NCCS3)n2)cc1,MLS000548447-01,18,3.893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)cc1,MLS000548631-01,18,3.9503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnnc2SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1C,MLS000550810-01,18,4.2725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccccc1,MLS000553278-01,18,3.7807,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCn1cnc2ccccc2c1=O)Nc1nc(-c2ccccc2)cs1,MLS000557745-01,18,3.5488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1-c1ccccc1,MLS000561375-01,18,6.3505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1,MLS000578593-01,18,4.9905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccc(Br)cc2)cs1,MLS000578949-01,18,5.1797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccccc2)cs1,MLS000594604-01,18,4.1216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCC(=O)N1CCCc2ccccc21)Nc1nc(-c2ccccc2)cs1,MLS000696949-01,18,4.4612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1,MLS000064971-01,18,3.0003,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)c1,NCGC00046562-01,2,3.9336,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)n2)cc1,NCGC00047020-01,2,3.8758,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1,NCGC00048368-01,2,3.9865,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CS(=O)(=O)C2,NCGC00052012-01,2,1.8352,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CSC2,NCGC00083491-01,2,3.1536,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1,NCGC00084791-01,2,3.4746,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc2c(c1)OCO2)Oc1ccccc1,NCGC00084935-01,2,2.7039,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)nc(N=C(NCc2ccc3c(c2)OCO3)NC(=O)Nc2ccccc2)n1,MLS000050181-01,18,3.4211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCO2,MLS000065872-01,18,2.9987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)no2)cc1,MLS000066369-01,18,3.3087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1,MLS000066418-01,18,3.6415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)[nH]n2)cc1C,MLS000084609-01,18,3.0578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)on1,MLS000086995-01,18,3.0037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)c1,MLS000087065-01,18,3.9336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1cc(-c2ccc3c(c2)OCO3)on1,MLS000087142-01,18,3.0428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,MLS000087157-01,18,4.3233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)n2)cc1,MLS000087158-01,18,3.8758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,MLS000087159-01,18,5.491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,MLS000087163-01,18,4.8376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccs1)c1cc(-c2cccc(Cl)c2)on1,MLS000087168-01,18,3.9865,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(F)cc1)c1cc(-c2ccco2)on1,MLS000087196-01,18,3.0037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)c1cc(-c2ccco2)on1,MLS000087199-01,18,2.8646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccco2)on1,MLS000087202-01,18,3.518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1,MLS000087247-01,18,3.9865,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CS(=O)(=O)C2,MLS000093445-01,18,1.8352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)c1cc(-c2ccccc2)on1)c1ccccc1,MLS000099869-01,18,3.8326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccc5c(c4)OCO5)cc23)c1,MLS000117145-01,18,3.9691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncnc2scc(-c3ccccc3)c12)NCc1ccc2c(c1)OCO2,MLS000391404-01,18,4.4955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1,MLS000416585-01,18,3.4772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)no1,MLS000523507-01,18,2.8903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCc3ccc4c(c3)OCO4)cc12,MLS000566039-01,18,4.7666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)no2)cc1,NCGC00105500-01,18,3.4193,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)on1,NCGC00105687-01,18,4.0641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)on1,NCGC00105724-01,18,3.976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)c1cc(-c2cccc(Cl)c2)on1,NCGC00105788-01,18,3.925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccco3)cc12,NCGC00128868-01,18,4.8294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(C)c2ccc(C(=O)NCc3cccs3)cc12,NCGC00085191-01,2,3.7866,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21,MLS000090630-01,18,3.6545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c1,MLS000519653-01,18,3.5713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccco3)ccc2c1=O,MLS000519906-01,18,2.403,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)cc1,MLS000520105-01,18,4.4362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1,MLS000520106-01,18,4.4362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1,MLS000520107-01,18,3.9219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc(Cn2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)cc1,MLS000522399-01,18,3.9834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Cn1c(=O)n(-c2ccccc2)c(=O)c2ccc(C(=O)NCc3ccco3)cc21,MLS000586799-01,18,4.0321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3n(Cc3cccc(Cl)c3)c2=O)cc1,NCGC00108989-01,18,4.6855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CNC(=O)c1ccc2c(c1)c(C)c(C)n2C,NCGC00128770-01,18,4.0336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(C)c2ccc(C(=O)NCc3cccc(F)c3)cc12,NCGC00128772-01,18,3.8642,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc21,NCGC00128860-01,18,4.274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1,NCGC00128864-01,18,6.1211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC(C)c3ccccc3)cc12,NCGC00128872-01,18,5.7974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1,NCGC00128874-01,18,5.5449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCC(C)c3ccccc3)cc12,NCGC00128896-01,18,5.8399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1OCC,NCGC00128898-01,18,6.0763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccccc3F)cc12,NCGC00128900-01,18,5.3755,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1OC,NCGC00128902-01,18,5.2536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c(OC)c1OC,NCGC00128904-01,18,5.3047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1,NCGC00128906-01,18,5.2961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc12,NCGC00128928-01,18,5.2688,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc12,NCGC00128932-01,18,5.4079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)cc1,NCGC00128960-01,18,5.7064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)o1,NCGC00129026-01,18,5.7913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccc(C)o4)ccc32)c1,NCGC00129034-01,18,5.4463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(NC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S+]3[O-])CC1,NCGC00140526-01,18,5.9756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S+]2[O-],NCGC00085852-01,2,4.4171,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S+]2[O-])N1CCC(Cc2ccccc2)CC1,NCGC00109460-01,18,6.762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S+]2[O-])c1ccccc1,NCGC00109490-01,18,6.1581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S+]3[O-])CC1,NCGC00109500-01,18,6.077,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S+]2[O-],NCGC00109556-01,18,4.6758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S+]2[O-],NCGC00109560-01,18,4.8115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(CN2C(=O)c3ccccc3[S+]([O-])c3ccc(C(=O)NCc4ccccc4Cl)cc32)c1,NCGC00109664-01,18,6.2139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(CN2C(=O)c3ccccc3[S+]([O-])c3ccc(C(=O)NCCC4=CCCCC4)cc32)c1,NCGC00109692-01,18,6.2508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S+]3[O-])cc1Cl,NCGC00140326-01,18,6.5814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S+]2[O-],NCGC00140422-01,18,7.2262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S+]2[O-],NCGC00140498-01,18,5.3258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S+]2[O-],NCGC00140520-01,18,5.1901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccc3)c(C)o2)c1,NCGC00085508-01,2,3.2237,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCCC3)c(C)o2)cc1,NCGC00085318-01,2,2.5297,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCN(C(=O)C[S+]([O-])Cc2nc(-c3ccc(OC)cc3)oc2C)CC1,NCGC00085338-01,2,2.0714,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccn3)c(C)o2)cc1,NCGC00085340-01,2,2.6187,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3cccnc3)c(C)o2)cc1,NCGC00085342-01,2,2.6187,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccco3)c(C)o2)cc1,NCGC00085346-01,2,2.8167,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCC3CCCO3)c(C)o2)cc1,NCGC00085368-01,2,2.2025,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(OC)cc2)oc1C,NCGC00085370-01,2,1.6699,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1oc(-c2ccccc2F)nc1C[S+]([O-])CC(=O)NCc1ccc2c(c1)OCO2,NCGC00085376-01,2,3.0829,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1oc(-c2ccccc2F)nc1C[S+]([O-])CC(=O)NCc1cccs1,NCGC00085378-01,2,3.4157,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)N3CCN(C)CC3)c(C)o2)c1,NCGC00085400-01,2,1.9811,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)N3CCCCC3)c(C)o2)c1,NCGC00085402-01,2,3.2196,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)NC(=O)C[S+]([O-])Cc1nc(-c2cccc(C)c2)oc1C,NCGC00085404-01,2,3.1218,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCC3)c(C)o2)c1,NCGC00085406-01,2,3.2659,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)NCC3CCCO3)c(C)o2)c1,NCGC00085408-01,2,2.5023,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(C)c2)oc1C,NCGC00085412-01,2,3.1234,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccn3)c(C)o2)cc1,NCGC00085432-01,2,2.9185,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCC3)c(C)o2)cc1,NCGC00085438-01,2,3.2659,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCN3CCOCC3)c(C)o2)cc1,NCGC00085446-01,2,1.6555,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(C)cc2)oc1C,NCGC00085464-01,2,3.1234,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCN3CCCC3)c(C)o2)cc1,NCGC00085466-01,2,2.4191,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1oc(-c2ccc(Cl)cc2)nc1C[S+]([O-])CC(=O)NCCN1CCCC1,NCGC00085472-01,2,2.7641,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1-c1nc(C[S+]([O-])CC(=O)NCc2ccccc2)c(C)o1,NCGC00085474-01,2,3.5235,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)NC(=O)C[S+]([O-])Cc1nc(-c2ccccc2C)oc1C,NCGC00085476-01,2,3.1218,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCNC(=O)C[S+]([O-])Cc1nc(-c2ccccc2C)oc1C,NCGC00085498-01,2,2.7333,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1-c1nc(C[S+]([O-])CC(=O)NCCN2CCOCC2)c(C)o1,NCGC00085506-01,2,1.6555,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)NC(=O)C[S+]([O-])Cc1nc(-c2cccc(OC)c2)oc1C,NCGC00085510-01,2,2.822,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCC3)c(C)o2)c1,NCGC00085530-01,2,2.9661,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(OC)c2)oc1C,NCGC00085534-01,2,2.4335,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3cccnc3)c(C)o2)cc1OC,NCGC00085538-01,2,2.6273,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccco3)c(C)o2)cc1OC,NCGC00085540-01,2,2.8253,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(OC)c2)oc1C,MLS000117681-01,18,2.4335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)c2ccc(C[S+]([O-])c3ccccc3)o2)c1,NCGC00122621-01,18,3.526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)CSc2nc3ccccc3s2)sc2c1CCCC2,MLS000561661-01,18,4.8391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1,NCGC00085265-01,2,3.9374,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1c(NC(=O)CSc2ncc(-c3ccccc3)n2CC2CCCO2)sc2c1CCCC2,MLS000029779-01,18,5.2719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2,MLS000030630-01,18,4.9776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)sc2c1CCCC2,MLS000049066-01,18,5.2982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)CSc2nc3ccccc3s2)s1,MLS000061350-01,18,3.441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)CSC2=NCCS2)sc2c1CCCC2,MLS000068308-01,18,3.2731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCCCC2,MLS000078486-01,18,4.3749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)CSc2ncn(-c3ccccc3)n2)sc2c1CCCC2,MLS000097301-01,18,3.8101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1O,MLS000109145-01,18,2.4284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nnc2-c2ccc(O)cc2)cc1,MLS000523194-01,18,5.1913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2-c2ccccc2)cc1,MLS000526185-01,18,5.4857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1,MLS000528071-01,18,4.4494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2,MLS000537722-01,18,4.5947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1C,MLS000547166-01,18,4.7578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)sc2c1CCC2,MLS000553011-01,18,5.3151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1,MLS000553023-01,18,5.5769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2,MLS000555985-01,18,3.5947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCCC2,MLS000555986-01,18,3.9848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2,MLS000555988-01,18,5.7918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2,MLS000556372-01,18,4.9121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCCCCC2,MLS000556591-01,18,4.765,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2c(sc(NC(=O)CSc3nnc(-c4ccccc4)o3)c2C#N)C1,MLS000564506-01,18,4.5254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)sc2c1CCC2,MLS000567674-01,18,4.68,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)COC(=O)c2ccc(F)cc2)sc2c1CCC2,MLS000568307-01,18,3.0431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2,MLS000574144-01,18,3.9338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2,MLS000575749-01,18,4.9191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C1CCc2c(sc(NC(=O)CSc3nnc(-c4ccccc4)o3)c2C#N)C1,MLS000579990-01,18,5.5516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(SCC(=O)Nc2nc3ccccc3s2)c(C#N)c(C)c1C,MLS000587490-01,18,4.219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O,MLS000587835-01,18,3.5119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-c1nnc(NC(=O)CSc2nc3ccccc3s2)s1,MLS000724722-01,18,4.854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1,MLS000522999-01,18,3.2706,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)cc1,NCGC00029464-01,2,2.7078,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(C(F)(F)F)cc1,NCGC00051401-01,2,3.0365,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)NCc2ccc3c(c2)OCO3)CC1,NCGC00084332-01,2,2.0602,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)n1,NCGC00084842-01,2,2.4408,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)nc1,NCGC00085249-01,2,1.8743,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1,NCGC00085285-01,2,0.3062,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1,NCGC00085305-01,2,1.0864,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)ccc21,NCGC00085307-01,2,1.9101,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)sc2c1,NCGC00085309-01,2,3.089,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCC1,NCGC00085597-01,2,2.6081,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCCCC1,NCGC00085599-01,2,3.3883,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccn1,NCGC00085601-01,2,1.0904,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCc2ccccc21,NCGC00085605-01,2,2.5728,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCCC3)ccc21,NCGC00087010-01,2,1.2901,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)CC1,MLS000052347-01,18,2.8679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(C(F)(F)F)c1,MLS000094181-01,18,3.0365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(C(F)(F)F)cc1,MLS000094182-01,18,3.0365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2c3ccccc3CC2C)CC1,MLS000118409-01,18,2.9929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)sc2c1,MLS000118495-01,18,3.089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCC1,MLS000119945-01,18,2.6081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2nnc(NC(=O)Cn3c(=O)oc4ccccc43)s2)CC1,MLS000522710-01,18,2.321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1,MLS000522875-01,18,2.2564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCc2ccccc21,MLS000523047-01,18,2.3584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)cc1Cl,NCGC00110784-01,18,3.6156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1cccc(Cl)c1,NCGC00112609-01,18,3.0612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,NCGC00112641-01,18,2.7248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)Nc1ccc(F)cc1F,NCGC00114562-01,18,3.0761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2c1,NCGC00115041-01,18,4.343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)coc2c1,NCGC00115061-01,18,4.343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,NCGC00135041-01,18,3.3778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(OC(F)(F)F)cc1,NCGC00140956-01,18,2.9163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1nc2ccccc2s1,MLS000067756-01,18,3.1419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(CNc2ccc(Cl)cc2)o1)Nc1nc2ccccc2s1,NCGC00032416-01,2,4.6756,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1nc2c(s1)CCCC2,MLS000033187-01,18,2.4996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1O,MLS000052407-01,18,4.1772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1,MLS000072442-01,18,2.515,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(CNc2ccc(Cl)cc2)o1)Nc1nc2ccccc2s1,MLS000077270-01,18,4.6756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc21,MLS000095680-01,18,4.5188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nc2ccccc2s1,MLS000113262-01,18,3.7814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1cccc(F)c1)Nc1nc2ccccc2s1,MLS000121464-01,18,3.1419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccccc1F)Nc1nc2ccccc2s1,MLS000526486-01,18,3.1419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2nc(SCC(=O)Nc3nc4ccccc4s3)n(C)c(=O)c2S1,MLS000529880-01,18,3.1575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1,MLS000536274-01,18,5.2424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1occc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)o1,MLS000559560-01,18,3.9785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1,MLS000578390-01,18,4.7472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1,MLS000582838-01,18,4.4022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccccc2)s1)c1cccs1,MLS000064090-01,18,4.1442,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(Sc2nc3cc(Cl)ccc3s2)s1)c1cccs1,2_14,1,5.2662,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CCSc1nnc(NC(=O)c2ccc(Br)s2)s1,NCGC00058956-01,2,3.7264,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1nnc(Sc2nc3cc(Cl)ccc3s2)s1)c1cccs1,"N-[5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide",7,5.2662,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=C(Nc1nnc(CCc2ccccc2)s1)c1cccs1,MLS000039523-01,18,3.6371,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccco1,MLS000058124-01,18,4.3291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(C2CCCO2)s1)c1cccs1,MLS000064645-01,18,2.7034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)c2cccs2)s1,MLS000106690-01,18,2.9639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)CCc2ccccc2)s1,MLS000107292-01,18,3.2214,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)C(Cc2ccccc2)n2cccc2)s1,MLS000119034-01,18,3.8741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CSc2nnc(NC(=O)CSc3nnc(C)s3)s2)c1,MLS000325188-01,18,4.0295,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2ncsc2c1,MLS000335338-01,18,4.8315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cnccn1,MLS000394641-01,18,3.5261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1nnc(SCc2ccc(F)cc2)s1,MLS000528713-01,18,3.318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccs1,MLS000529453-01,18,4.7011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)c2cccc3ccccc23)s1,MLS000529809-01,18,4.0556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)CSc1nnc(NC(=O)CCc2ccccc2)s1,MLS000535041-01,18,2.7905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CSc2nnc(NC(=O)c3ccco3)s2)c1,MLS000538383-01,18,3.9841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2nnc(NC(=O)C3COc4ccccc4O3)s2)cc1,MLS000543750-01,18,3.9173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccc(CSc2nnc(SCc3ccccc3)s2)cc1,MLS000551463-01,18,4.8209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nnc(NC(=O)CCc2ccccc2)s1,MLS000556904-01,18,2.8313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccs1,MLS000558109-01,18,4.0961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(CCS(=O)(=O)c2ccc3ccccc3c2)s1)c1cccs1,MLS000559758-01,18,4.0215,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3cccs3)s2)cc1,MLS000561742-01,18,3.1767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2c(s1)CCCC2,MLS000566665-01,18,5.023,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(SCC(=O)Nc2nnc(SCc3cccc(Br)c3)s2)s1,MLS000581231-01,18,4.4836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)Nc1nnc(SCc2ccc(Cl)cc2)s1,MLS000591799-01,18,5.1278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1coc(CSc2nnc(NC(=O)c3cccs3)s2)cc1=O)c1ccccc1,MLS000722263-01,18,4.3166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)c4cccs4)s3)cc2=O)cc1,MLS000722270-01,18,4.3252,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccs1)Nc1nnc(SCc2ccc(F)cc2)s1,MLS000723115-01,18,4.2122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccs1)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1,MLS000723154-01,18,5.0919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1,MLS000522546-01,18,3.2686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)NCc2cccs2)cc2c(=O)n(C)c3ccccc3c21,NCGC00084512-01,2,3.0217,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,NCGC00084518-01,2,3.9544,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2c(=O)n(C)c3ccccc3c21,NCGC00084540-01,2,3.1207,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)c1C,NCGC00084544-01,2,3.6094,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c(=O)n(C)c3ccccc3c21,NCGC00084546-01,2,3.646,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)NC2CC2)cc2c(=O)n(C)c3ccccc3c21,NCGC00084568-01,2,1.9224,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21,NCGC00084582-01,2,2.7213,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,NCGC00084602-01,2,2.1777,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCC(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,NCGC00084606-01,2,3.3387,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCC(C)N1CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,NCGC00084612-01,2,3.413,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN1CCN(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,NCGC00084614-01,2,1.0074,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,NCGC00084646-01,2,2.882,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c3ccccc3c21,NCGC00084806-01,2,3.6257,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21,NCGC00085107-01,2,3.1317,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,NCGC00085109-01,2,2.9688,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n(C)c3ccccc3c21,NCGC00085129-01,2,1.939,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,NCGC00085131-01,2,1.4064,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COCCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,NCGC00085135-01,2,1.7965,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCCC1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,NCGC00085141-01,2,2.2443,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(=O)n(C)c3ccccc3c21,NCGC00085173-01,2,2.3876,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)n(C)c3ccccc3c21,NCGC00085175-01,2,3.0112,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)n(C)c3ccccc3c21,5309909,18,2.8183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)Cc1ccccc1,5308999,18,2.892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,5308466,18,1.3216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)NCCN2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21,5308405,18,2.636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(CCC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,5307613,18,2.882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1,MLS000045314-01,18,3.7088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc(C(=O)NCc3ccc(C)o3)c3c4ccccc4n(C)c3c2=O)cc1,MLS000520292-01,18,4.0172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)NCc2cccc(Cl)c2)cc2oc3ccccc3c21,NCGC00114469-01,18,4.5079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2cc3cc(C)ccc3n2C)cc1,NCGC00118000-01,18,3.7251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCO2,MLS000122692-01,18,3.5129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)c1cccs1)c1ccc(NC(=O)c2ccco2)cc1,NCGC00031124-01,2,3.6331,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1,NCGC00051125-01,2,4.605,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,NCGC00052772-01,2,4.17,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCO2,MLS000049903-01,18,4.567,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)OCO2)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,MLS000050473-01,18,3.2146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1,MLS000050497-01,18,4.7842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1,MLS000050826-01,18,4.0423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1ccc2c(c1)OCO2,MLS000051695-01,18,4.1309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(F)c1F,MLS000052861-01,18,4.3492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccco2)cc1,MLS000063717-01,18,3.1792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc2c(c1)OCO2,MLS000064003-01,18,3.223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,MLS000065067-01,18,3.7963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(O)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1,MLS000075852-01,18,3.7982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,MLS000088940-01,18,4.17,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1,MLS000092989-01,18,4.6747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccc2c(c1)OCO2,MLS000092991-01,18,4.8052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1,MLS000092997-01,18,4.9745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)c2ccco2)cc1,MLS000096835-01,18,3.1017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCO2,MLS000097190-01,18,3.4015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2,MLS000109486-01,18,3.444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccco1,MLS000528748-01,18,3.8457,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1,MLS000531560-01,18,3.4113,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1Cl,MLS000533505-01,18,5.4897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2ccccc2c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1,MLS000559638-01,18,4.5711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCO2,MLS000560264-01,18,4.9443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCO2,MLS000581307-01,18,4.8643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(F)cc2)cc1,MLS000700590-01,18,3.825,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1,NCGC00085416-01,2,3.0317,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCC1)O2,NCGC00085365-01,2,1.6867,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)cc1,NCGC00085396-01,2,2.4235,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCC1=O,NCGC00085418-01,2,0.9049,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCCC1NC(=O)CC1Oc2ccccc2NC1=O,NCGC00085420-01,2,2.4711,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)c1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1,NCGC00085424-01,2,3.5695,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC1CCCCN1CCCNC(=O)CC1Oc2ccccc2NC1=O,NCGC00085426-01,2,2.547,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CC(C)CN(CCCNC(=O)CC2Oc3ccccc3NC2=O)C1,NCGC00085428-01,2,2.2604,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCCN1CCNC(=O)CC1Oc2ccccc2NC1=O,NCGC00085430-01,2,1.7668,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN(C)CCCNC(=O)CC1Oc2ccccc2NC1=O,NCGC00085448-01,2,2.0144,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CN(CCNC(=O)CC1Oc2ccccc2NC1=O)CC(C)C,NCGC00085452-01,2,2.5064,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CCNC(=O)CC1Oc2ccccc2NC1=O)c1ccccc1,NCGC00085454-01,2,2.4189,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)N(CCCNC(=O)CC1Oc2ccccc2NC1=O)Cc1ccccc1,NCGC00085456-01,2,3.1931,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCSCCCNC(=O)CC1Oc2ccccc2NC1=O,NCGC00085458-01,2,2.4257,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)N(CCNC(=O)CC1Oc2ccccc2NC1=O)C1CCCCC1,NCGC00085462-01,2,3.3256,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCN(Cc2ccc(NC(=O)CC3Oc4ccccc4NC3=O)cc2)CC1,NCGC00085482-01,2,3.6468,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1Nc2ccccc2OC1CC(=O)N1CCCC1,NCGC00085484-01,2,1.3986,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1Nc2ccccc2OC1CC(=O)N1CCOCC1,NCGC00085488-01,2,0.635,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCc1cccnc1)O2,NCGC00085490-01,2,1.796,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,NCGC00085492-01,2,2.7319,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)NC(=O)CC1Oc2ccc(C)cc2NC1=O,NCGC00085494-01,2,1.9993,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,NCGC00085512-01,2,1.9327,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCN(C)C)O2,NCGC00085514-01,2,0.7624,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,NCGC00085516-01,2,2.7519,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1cccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1,NCGC00085520-01,2,2.9259,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NC1CCCCC1C)O2,NCGC00085524-01,2,2.7795,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOCCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,NCGC00085526-01,2,1.6274,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,MLS000119436-01,18,2.7519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(OCC)c(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1,MLS000119449-01,18,3.5207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C)c1,MLS000336132-01,18,5.1797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)CC2Oc3ccccc3NC2=O)cc1,NCGC00112816-01,18,3.5383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)c2nnn(CCc3ccccc3)c2N)c1,NCGC00084937-01,2,2.3725,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N,NCGC00084885-01,2,2.617,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C)cc1NC(=O)c1nnn(Cc2cc(C)ccc2C)c1N,NCGC00084905-01,2,3.0948,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1,NCGC00084917-01,2,3.0797,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C)cc1NC(=O)c1nnn(CCc2ccccc2)c1N,NCGC00084939-01,2,2.6723,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1CCc1ccccc1,NCGC00084943-01,2,2.1265,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1,NCGC00084979-01,2,2.2798,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1,MLS000581456-01,18,6.2333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)c2cnc(Nc3ccccc3OC)c3ccccc23)c1,MLS000586384-01,18,5.2565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1N,NCGC00109742-01,18,3.5488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccccc3)CC2)cc1,NCGC00133537-01,18,4.8139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCn1c(C)cc(O)c(C(c2ccccc2F)N2CCN(c3ccccc3)CC2)c1=O,NCGC00133351-01,18,3.5594,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2ccccc2)N2CCCCC2)c(=O)n1Cc1ccco1,NCGC00133413-01,18,4.0789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1CCN(C(c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1,NCGC00133415-01,18,3.8681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2ccccc2)N2CCN(C)CC2)c(=O)n1Cc1ccco1,NCGC00133417-01,18,2.8404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1,NCGC00133435-01,18,3.2305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2ccccc2)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1,NCGC00133437-01,18,4.4152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2ccccc2)N2CCN(c3ccccc3F)CC2)c(=O)n1Cc1ccco1,NCGC00133439-01,18,4.5543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1,NCGC00133441-01,18,4.5543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCN(C(c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1,NCGC00133443-01,18,3.2391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccccc3)CC2)cc1,NCGC00133445-01,18,4.4238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCC(C)CC2)c1,NCGC00133447-01,18,4.3335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCN(C(c2cccc(OC)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1,NCGC00133449-01,18,3.2391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccccc3)CC2)c1,NCGC00133467-01,18,4.4238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(c1c(O)cc(C)n(Cc2ccco2)c1=O)N1CCCCC1,NCGC00133469-01,18,4.0875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2ccccc2Cl)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1,NCGC00133475-01,18,5.0686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1,NCGC00133477-01,18,5.0686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1,NCGC00133479-01,18,5.0686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1CCN(C(c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1,NCGC00133481-01,18,4.0072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2cccc(F)c2)N2CCC(C)CC2)c(=O)n1Cc1ccco1,NCGC00133499-01,18,4.464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCN(C(c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1,NCGC00133501-01,18,3.3696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2cccc(F)c2)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1,NCGC00133503-01,18,4.5543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2ccc(F)cc2)N2CCCCC2)c(=O)n1Cc1ccco1,NCGC00133505-01,18,4.218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCC(C)CC2)cc1,NCGC00133509-01,18,4.6333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCN(C(c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1,NCGC00133511-01,18,3.5389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1CCN(C(c2ccc(SC)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1,NCGC00133513-01,18,4.59,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCN(C(c2ccc(SC)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1,NCGC00133531-01,18,3.9524,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1,NCGC00133533-01,18,4.4776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(C)CC2)cc1,NCGC00133535-01,18,3.2391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C(c2ccccc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1,NCGC00141656-01,18,4.3249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1,MLS000123809-01,18,3.6989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccccc1,MLS000531480-01,18,3.6859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)NC(=S)N1CCCc2ccccc21,MLS000581781-01,18,3.1627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)NCC(c1ccc(N(C)C)cc1)N1CCc2ccccc21,NCGC00131416-01,18,4.295,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc12,NCGC00135025-01,18,4.6987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCc3ccccc32)c1,NCGC00139401-01,18,4.5919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2F)c1C,NCGC00139499-01,18,4.4462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C)c(F)c3)c2)CC1,NCGC00139504-01,18,4.045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccs4)cc3s2)cc1,NCGC00118706-01,18,5.6493,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1,1160447,18,5.8575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nsc(SCC(=O)Nc2nc3ccc(C)cc3s2)n1,MLS000332551-01,18,3.9089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cc2s1,MLS000567657-01,18,5.8242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nnc(SCC(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)s1,MLS000571730-01,18,4.1916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c1C,MLS000571731-01,18,5.4445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c1,MLS000573883-01,18,5.4445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc2nc(SCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)sc2c1,MLS000590093-01,18,4.0993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(O)n2)c1,MLS000696603-01,18,3.4258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(O)n2)c1,MLS000696613-01,18,3.4258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccs1,MLS000697226-01,18,4.9827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCc5ccccc54)sc3c2)c1,NCGC00118522-01,18,5.5384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1)c1cccs1,NCGC00118536-01,18,6.4346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C)ccc1OCCSc1nc2ccc(NC(=O)c3cccs3)cc2s1,NCGC00118564-01,18,6.0982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)N(C)c3ccccc3)sc2c1,NCGC00118586-01,18,5.6121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1,NCGC00118602-01,18,5.9145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)Nc2ccc3nc(SCC(=O)N(C)c4ccccc4)sc3c2)cc1,NCGC00118610-01,18,5.3773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C(=O)CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1)c1ccccc1,NCGC00118616-01,18,5.7223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1,NCGC00118650-01,18,5.5878,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1,NCGC00118672-01,18,5.4921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)COc4ccccc4C)cc3s2)c1,NCGC00118682-01,18,5.6614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)COc4ccc(C)cc4)cc3s2)cc1,NCGC00118710-01,18,5.6614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccs4)cc3s2)c1,NCGC00118714-01,18,5.3495,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccs4)cc3s2)c(C)c1,NCGC00118734-01,18,5.9577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCCc5ccccc54)sc3c2)cc1,NCGC00118807-01,18,5.9285,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1)c1ccccc1,NCGC00118835-01,18,5.23,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)c(=O)c3ccccc32)cc1,NCGC00106461-01,18,3.8173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c2=O)cc1,NCGC00044864-01,2,2.4054,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)no1,NCGC00045894-01,2,2.1466,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(C)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)cc1,MLS000044765-01,18,2.9162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)no1,MLS000044781-01,18,2.1466,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12,MLS000063745-01,18,2.889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1,MLS000090622-01,18,3.0539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1,MLS000090623-01,18,2.7999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc32)cc1,MLS000520094-01,18,2.9551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Cn1c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21,MLS000520099-01,18,2.9551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(=O)c2ccc(C(=O)NCc3ccccc3)cc2n(Cc2ccc(C)cc2)c1=O,MLS000586803-01,18,3.6359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)c(=O)c3ccccc32)cc1,NCGC00106457-01,18,3.9076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c(=O)c2ccccc21,NCGC00106493-01,18,3.6856,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(C)cc4C)c3=O)cc2)cc1,NCGC00106735-01,18,4.7055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2c(-c3ccc4c(c3)OCO4)cn(-c3ccccc3)c2=O)cc1,NCGC00107910-01,18,3.9818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc32)cc1,NCGC00108660-01,18,3.8485,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21)Nc1ccc(Br)cc1F,NCGC00108668-01,18,4.3514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1,NCGC00108762-01,18,4.1772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3oc4ccccc4c32)c1,NCGC00122536-01,18,3.3337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2cc3c(cc21)OCO3)Nc1ccccc1,NCGC00125859-01,18,2.6289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3cc4c(cc32)OCO4)cc1Cl,NCGC00125867-01,18,3.2909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2c(=O)c(CNc3ccccc3)cc3cc4c(cc32)OCCO4)cc1,NCGC00141454-01,18,4.3319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1,MLS000579178-01,18,5.2472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc2oc3ccccc3c2cc1OC,NCGC00039858-01,2,4.6998,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc2c(cc1NC(=O)CN1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)oc1ccccc12,MLS000047374-01,18,3.6787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1cccs1,MLS000050866-01,18,5.6653,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)c1ccc3c(c1)OCO3)oc1ccccc12,MLS000088875-01,18,4.5756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCc4ccccc43)C1=O)oc1ccccc12,MLS000097710-01,18,3.9266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NCc1ccc3c(c1)OCO3)oc1ccccc12,MLS000120819-01,18,4.9354,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)Nc1cccc(C)c1)oc1ccccc12,MLS000324738-01,18,5.547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C)oc1ccccc12,MLS000333978-01,18,4.67,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)oc1ccccc12,MLS000374826-01,18,5.2723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c(OC)c1,MLS000389333-01,18,4.6823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)COC(=O)/C=C/c1ccccc1)oc1ccccc12,MLS000392652-01,18,4.7897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C)oc1ccccc12,MLS000393177-01,18,4.7328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)oc1ccccc12,MLS000393920-01,18,4.0972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C)oc1ccccc12,MLS000393930-01,18,4.0794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1,MLS000394336-01,18,4.8774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1,MLS000394720-01,18,4.8774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1N=C(S)Nc1ccccc1C)oc1ccccc12,MLS000535315-01,18,5.9324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)Nc1ccc(C)cc1)oc1ccccc12,MLS000537093-01,18,5.547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)CSc1nnc(COc3ccc(Cl)cc3)n1C)oc1ccccc12,MLS000565778-01,18,5.6863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1C)oc1ccccc12,MLS000571802-01,18,5.0635,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)/C=C/c1ccccc1)oc1ccccc12,MLS000572332-01,18,5.2465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)Nc1ccccc1)oc1ccccc12,MLS000573323-01,18,5.2386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)CSc1ccccn1)oc1ccccc12,MLS000576422-01,18,4.7204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)CSc1nc3cc(C)ccc3[nH]1)oc1ccccc12,MLS000576673-01,18,5.5101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)Nc1ccc(F)cc1)oc1ccccc12,MLS000579974-01,18,5.3777,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl)oc1ccccc12,NCGC00101228-01,18,6.3074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3o2)cc1,NCGC00111482-01,18,5.6922,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCC(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(F)cc2)cc1,NCGC00134535-01,18,5.4225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1,MLS000544536-01,18,5.6707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cccc(Cl)c1)C3c1ccc(F)cc1,NCGC00111940-01,18,5.7569,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCC1CCCC1)C3c1ccc(F)cc1,NCGC00111944-01,18,5.7601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(C)cc1,NCGC00113863-01,18,6.2183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)N2CCc3c([nH]c4ccc(OC)cc34)C2c2ccc(OC)cc2)cc1,NCGC00126219-01,18,5.3733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccccc2)cc(OCC)c1OCC,NCGC00134525-01,18,6.1519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2c2ccccc2)c1OCC,NCGC00134527-01,18,5.6821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCC1CCCC1)N1CCc2c([nH]c3ccccc23)C1c1ccc(F)cc1,NCGC00134533-01,18,5.7515,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(F)cc1,NCGC00134555-01,18,5.4139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(F)cc1,NCGC00134557-01,18,5.5734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(F)cc2)c1OCC,NCGC00134559-01,18,5.8212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCc1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(F)cc1,NCGC00134561-01,18,5.8536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Br)cc1,NCGC00134563-01,18,6.0267,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CCC2CCCC2)cc1,NCGC00134565-01,18,5.9208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(N(C)C)cc2)cc1,NCGC00134567-01,18,5.3302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)cc1,NCGC00134589-01,18,5.5832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(C)cc2)c1OCC,NCGC00134593-01,18,5.9905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CSCc2ccc(F)cc2)cc1,NCGC00134595-01,18,6.0229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)cc1,NCGC00134623-01,18,5.9967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2F)c1,NCGC00134627-01,18,5.4936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)c1,NCGC00134629-01,18,5.6735,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)c1,NCGC00134631-01,18,5.833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1,NCGC00134653-01,18,5.9282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1,NCGC00134659-01,18,5.7483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CCC2CCCC2)cc1,NCGC00134663-01,18,6.0111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccc(OCC)c2OCC)cc1,NCGC00134684-01,18,6.0808,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1,NCGC00139275-01,18,6.2728,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1,MLS000394340-01,18,4.4103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccccc1Cl,MLS000339529-01,18,4.8125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCC1,MLS000374563-01,18,4.41,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1S(=O)(=O)Nc1ccccc1OC,MLS000374637-01,18,4.9029,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc3ccccc3n2)ccc1Cl,MLS000393025-01,18,4.9499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1NS(=O)(=O)c1ccc(F)cc1,MLS000393057-01,18,5.0406,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)o2)ccc1N1CCCC1,MLS000393462-01,18,4.2499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1,MLS000393643-01,18,4.2965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1,MLS000393873-01,18,5.8337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccc(C)s3)ccc2Cl)cc1,MLS000393954-01,18,3.8878,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1OC,MLS000394005-01,18,4.7336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1OC,MLS000394035-01,18,4.5945,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1C,MLS000394039-01,18,3.8279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)ccc1C,MLS000394726-01,18,3.7898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccc(F)cc2)ccc1Cl,MLS000401494-01,18,5.5361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2cc(NC(=NS(=O)(=O)c3ccccc3)c3ccc(F)cc3)ccc2Cl)cc1,MLS000401504-01,18,5.5361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC,MLS000408803-01,18,5.357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NS(=O)(=O)c1ccc(F)cc1,MLS000417014-01,18,5.5544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)nc2)ccc1Cl,MLS000417369-01,18,4.4501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Nc1ccccc1Cl,MLS000417394-01,18,4.7151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc(OC)c1,MLS000418651-01,18,4.4718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C(=O)c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)c1,MLS000576428-01,18,5.3403,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl,MLS000578584-01,18,5.0459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1,MLS000581978-01,18,6.6769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1Cl,MLS000582690-01,18,6.3685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1C,MLS000707747-01,18,4.1631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)c1cccs1,NCGC00061701-01,2,4.6886,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1,NCGC00036868-01,2,4.2985,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccs1,NCGC00039804-01,2,5.4922,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,NCGC00060602-01,2,3.1039,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCCC2)c1,MLS000036031-01,18,4.6886,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccccc2)cs1,MLS000048793-01,18,2.6265,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1S(=O)(=O)c1ccccc1,MLS000054973-01,18,3.992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccs1,MLS000055320-01,18,5.4922,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccs1,MLS000057551-01,18,4.8388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1,MLS000068799-01,18,2.8485,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1,MLS000096566-01,18,4.2985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1,MLS000096891-01,18,3.482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1,MLS000124034-01,18,3.5113,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1,MLS000374449-01,18,4.5931,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1,MLS000393937-01,18,3.8694,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1,MLS000416825-01,18,4.2194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1,MLS000523293-01,18,3.5019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1,MLS000565424-01,18,4.6454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(NC(=O)C3CCCCN3S(=O)(=O)c3ccccc3)n2)cc1,MLS000566717-01,18,4.0006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1)N1CCCC1,MLS000576222-01,18,5.0552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1,MLS000697293-01,18,3.4396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1,MLS000545591-01,18,4.9339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)n2)c1,MLS000070935-01,18,3.3081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(-c3ccccc3)cn12,MLS000089447-01,18,4.3947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(O)c3cc(NC(=O)c4ccccc4)ccc3n2)c1,MLS000517798-01,18,4.8683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)NN=Cc3ccc4c(c3)OCO4)c3ccccc3n2)c(OC)c1,MLS000539123-01,18,4.4116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,MLS000544607-01,18,3.8597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1cccc2ccccc12,MLS000575314-01,18,3.7378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(Cl)cccc23)c1,MLS000582173-01,18,5.2111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2ccccc12,MLS000584649-01,18,4.3944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)c1,MLS000680719-01,18,4.4659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)c3ccccc3n2)cc1,NCGC00099679-01,18,5.438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccc(C)cc3)[nH]2)c1,NCGC00107714-01,18,5.5627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(COc2cc(-c3cccc(OC)c3)nc3ccc(NC(=O)c4ccc(Cl)cc4)cc23)cc1,NCGC00159977-01,18,7.4037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(COc2cc(-c3cccc(OC)c3)nc3ccc(NC(=O)c4ccccc4)cc23)cc1,NCGC00159978-01,18,6.7503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(COc2cc(-c3cccc(OC)c3)nc3ccc(NC(=O)c4ccc(C)cc4)cc23)cc1,NCGC00160000-01,18,7.0587,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(COc2cc(-c3cccc(OC)c3)nc3ccc(NC(=O)c4ccc(OC)cc4)cc23)cc1,NCGC00160017-01,18,6.7589,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nsnc45)C3)sc2c1,MLS000045215-01,18,3.6488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,NCGC00085602-01,2,2.5502,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,NCGC00085604-01,2,2.6943,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccnc4)C3)sc2c1,NCGC00085805-01,2,3.0391,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)sc2c1,NCGC00085833-01,2,3.3392,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)sc2c1,NCGC00085835-01,2,2.9491,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nsnc45)C3)sc2c1,MLS000045194-01,18,3.349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1,MLS000086959-01,18,3.7056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)sc2c1,MLS000090597-01,18,3.7959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2sc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)nc12,MLS000090865-01,18,3.1803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)sc2c1,MLS000090866-01,18,2.8805,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)sc2c1,MLS000091775-01,18,3.349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1,MLS000091787-01,18,2.7593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CC=C(c2ccccc2)CC1,MLS000091788-01,18,3.4079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)sc2c1,MLS000091794-01,18,3.6488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)sc2c1,MLS000521743-01,18,3.2706,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,MLS000521791-01,18,2.7869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1,MLS000521793-01,18,2.7593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,MLS000521827-01,18,2.5019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1nc2ccc(Cl)cc2s1,MLS000522935-01,18,3.896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCC(NC(=O)C2CCCN2S(=O)(=O)c2cccc3nsnc23)C1C,MLS000522940-01,18,2.7853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)c1,NCGC00106766-01,18,3.8584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCN(c2cccc(Cl)c2)CC1,NCGC00108532-01,18,3.0942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1,NCGC00108564-01,18,3.8541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(C)CCNC(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,NCGC00108594-01,18,1.9401,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-],3618235,18,2.4769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2,5222878,18,2.0229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(C)cc2)c(C)cc1[N+](=O)[O-],5036605,18,2.1319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1,4681873,18,2.4318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1,4307766,18,1.8149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)c1,4002335,18,1.8321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1,3404196,18,2.6429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1,3374374,18,2.9681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)F,2573045,18,2.1079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1,2493982,18,2.4769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C,2479461,18,3.8873,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1,2435722,18,1.4359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1,2435679,18,1.0458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CNC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1,2434504,18,1.2934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1,2433167,18,0.6573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F,2397372,18,3.9239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-],2387789,18,2.4163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NCC(=O)OCC(=O)N2CCCCCC2)ccc1[N+](=O)[O-],2380591,18,1.5788,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(C)c1,2378436,18,2.9776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ncc(C(F)(F)F)cc1Cl,2365251,18,3.3189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F,2342997,18,3.2705,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,1612942,18,2.3675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)c(C)cc1[N+](=O)[O-],MLS000375337-01,18,2.6725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(C)cc1[N+](=O)[O-],MLS000393885-01,18,3.1903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(C)cc1[N+](=O)[O-],MLS000393897-01,18,3.5353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)cc1[N+](=O)[O-],MLS000417993-01,18,3.3459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1[N+](=O)[O-],MLS000577305-01,18,3.5827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2CC(c3ccc(C)cc3)Nc3nc(N)nn32)c1,NCGC00085164-01,2,3.3236,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(C2CC(c3ccccc3)Nc3ncnn32)c1,NCGC00084884-01,2,3.7328,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(C2CC(c3ccc(F)cc3)Nc3ncnn32)c1,NCGC00084886-01,2,3.8719,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(c3cccc(C)c3)n3ncnc3N2)cc1,NCGC00084908-01,2,3.7414,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(c3ccccc3)Nc3ncnn32)cc1,NCGC00084912-01,2,3.433,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(c3ccccc3OC)n3ncnc3N2)c1,NCGC00084938-01,2,3.4416,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1nc2n(n1)C(c1ccccc1)CC(c1ccc(F)cc1)N2,NCGC00084972-01,2,3.1457,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(C2CC(c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1,NCGC00085012-01,2,4.2224,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1nc2n(n1)C(c1c(F)cccc1Cl)CC(c1ccc(F)cc1)N2,NCGC00085034-01,2,3.9382,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)c1,NCGC00085042-01,2,3.3236,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(c3c(Cl)cccc3Cl)n3nc(N)nc3N2)c1,NCGC00085046-01,2,4.322,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(c3c(Cl)cccc3Cl)n3nc(N)nc3N2)cc1,NCGC00085064-01,2,4.322,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1C1CC(c2ccc(F)cc2)Nc2nc(N)nn21,NCGC00085066-01,2,3.4541,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)cc1,NCGC00085070-01,2,3.6234,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)c1,NCGC00085072-01,2,3.3236,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)cc1,NCGC00085074-01,2,3.3236,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)c1,NCGC00085098-01,2,3.4541,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(C2CC(c3ccc(Cl)cc3)Nc3nc(N)nn32)c1,NCGC00085100-01,2,3.9684,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,NCGC00085104-01,2,3.6234,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,NCGC00085108-01,2,3.3236,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1,NCGC00085130-01,2,3.1543,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(c3ccccc3)Nc3nc(N)nn32)c1,NCGC00085140-01,2,3.0152,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)c1,NCGC00085142-01,2,3.1543,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(c3cccc(OC)c3)n3nc(N)nc3N2)c1,NCGC00085166-01,2,3.0238,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(c3cccc(OC)c3)n3nc(N)nc3N2)cc1,NCGC00085168-01,2,3.0238,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccccc1C1CC(c2ccccc2)Nc2nc(N)nn21,NCGC00085823-01,2,3.4053,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2CC(c3ccccc3)n3ncnc3N2)c1,MLS000114881-01,18,3.433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1,NCGC00084691-01,2,2.4981,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCOCC1,NCGC00084595-01,2,1.7259,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1,NCGC00084599-01,2,2.7979,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)o2)C1,NCGC00084623-01,2,2.9772,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCCCC1,NCGC00084625-01,2,4.0322,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCC1,NCGC00084627-01,2,3.252,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCCN1CCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,NCGC00084683-01,2,3.2317,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1CCCCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,NCGC00084685-01,2,3.6218,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1,NCGC00084695-01,2,3.4606,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)C(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,NCGC00084715-01,2,2.7441,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCOCC3)o2)cc1,NCGC00084717-01,2,1.7345,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)cc1,NCGC00084721-01,2,2.6195,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2)CC1,NCGC00084727-01,2,2.6128,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)o2)cc1,NCGC00084745-01,2,2.5871,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1,NCGC00084747-01,2,2.5871,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)NC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,NCGC00084749-01,2,2.7904,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CCCC3)o2)cc1,NCGC00084751-01,2,2.9345,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1,NCGC00084753-01,2,2.7851,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,NCGC00084755-01,2,1.6383,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1,NCGC00084757-01,2,3.3312,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccs3)o2)cc1,NCGC00084759-01,2,3.2536,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,NCGC00084777-01,2,2.0284,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,NCGC00084779-01,2,2.792,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CC(C)CC(C)C2)o1,NCGC00084783-01,2,3.68,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1,NCGC00084811-01,2,1.7345,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)o1,NCGC00084813-01,2,2.6195,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCOCC3)o2)cc1,MLS000117549-01,18,1.7345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1,NCGC00159932-01,18,5.7524,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C(Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1)c1ccccc1,MLS000577991-01,18,4.7617,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1C=O,NCGC00159611-01,18,5.5649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(OC(F)(F)F)cc1,NCGC00159641-01,18,6.6424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CO)cc1,NCGC00159661-01,18,5.2361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccsc1-c1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1C,NCGC00159662-01,18,6.0079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2ccc(-c3cc(=O)oc4cc(C)cc(C)c34)cc2)c1,NCGC00159722-01,18,6.0523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1F,NCGC00159743-01,18,5.8915,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1/C=C/c1ccc(F)cc1,NCGC00159744-01,18,6.3863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(-c4ccc(OC)c(F)c4)c3)cc(=O)oc2c1,NCGC00159745-01,18,5.2919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(-c4ccc(N(C)C)cc4)c3)cc(=O)oc2c1,NCGC00159752-01,18,5.2102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(O)cc1,NCGC00159763-01,18,5.4494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1,NCGC00159774-01,18,6.0523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(N(C)C)cc1,NCGC00159778-01,18,5.8098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(C(F)(F)F)cc1,NCGC00159785-01,18,6.7626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(-c4ccc(OC(F)(F)F)cc4)c3)cc(=O)oc2c1,NCGC00159788-01,18,6.0428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(-c4ccc(O)cc4)c3)cc(=O)oc2c1,NCGC00159793-01,18,4.8498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(-c4cccc(C)c4)c3)cc(=O)oc2c1,NCGC00159813-01,18,5.4526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1,NCGC00159833-01,18,5.9464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1cccc(N)c1,NCGC00159842-01,18,5.326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1sccc1C=O,NCGC00159843-01,18,5.6178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc(-c3cc(=O)oc4c(C(C)C)ccc(C)c34)cc2)cc1,NCGC00159884-01,18,6.5674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(F)c(Cl)c1,NCGC00159920-01,18,6.5363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc(-c3cc(=O)oc4cc(C)cc(C)c34)cc2)cc1,NCGC00160022-01,18,5.7524,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(-c4cccc(N)c4)c3)cc(=O)oc2c1,NCGC00160023-01,18,4.7264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1,NCGC00160031-01,18,5.9205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3C2c2cccc(F)c2)cc1,NCGC00108515-01,18,5.4507,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3C2c2ccc([N+](=O)[O-])cc2)cc1,MLS000583189-01,18,4.5044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3C2c2cccc([N+](=O)[O-])c2)cc1,MLS000583190-01,18,4.5044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2[nH]nc(-c3ccccc3)c2C(c2ccccc2)N1c1cccc(C(F)(F)F)c1,NCGC00098528-01,18,5.8453,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2[nH]nc(-c3ccc(F)cc3)c2C(c2ccccc2F)N1c1ccccc1,NCGC00099684-01,18,5.1047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccc(OC)cc4)c3C2c2cccs2)cc1,NCGC00102777-01,18,5.2953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3C2c2cccc(F)c2)cc1,NCGC00102779-01,18,5.4258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3C2c2cccc(F)c2)cc1,NCGC00108305-01,18,5.2038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3C2c2ccc(C(C)C)cc2)cc1,NCGC00108307-01,18,6.1881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3C2c2ccc(O)c(OC)c2)cc1,NCGC00108315-01,18,4.7789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3C2c2ccc(OCC)cc2)cc1,NCGC00108317-01,18,5.4634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C2c3c(-c4ccc(Br)cc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)ccc1O,NCGC00108425-01,18,6.3467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2[nH]nc(-c3ccc(Br)cc3)c2C(c2cccc(O)c2)N1c1ccc(Cl)cc1,NCGC00108427-01,18,5.948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2n[nH]c3c2C(c2cccs2)N(c2ccc(Cl)cc2)C3=O)cc1,NCGC00108431-01,18,5.8498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2n[nH]c3c2C(c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1,NCGC00108449-01,18,5.3032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1c2c(-c3ccc(Cl)cc3)n[nH]c2C(=O)N1c1ccc(C)cc1,NCGC00108489-01,18,5.7969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3C2c2ccc(F)cc2)cc1,NCGC00108491-01,18,5.9274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3C2c2ccc(O)c(OCC)c2)cc1,NCGC00108517-01,18,5.4159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3C2c2cccs2)cc1,NCGC00108519-01,18,5.3731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3C2c2ccc(O)cc2)cc1,NCGC00108521-01,18,5.0172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OC)cc4)c3C2c2cccc(O)c2)cc1,NCGC00108527-01,18,4.7174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OCC)cc4)c3C2c2cccs2)cc1,NCGC00108547-01,18,5.4634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3C2c2ccccc2OC)cc1,NCGC00108579-01,18,4.6048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3C2c2ccc(C)cc2)cc1,NCGC00108581-01,18,4.9046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3C2c2ccc(O)cc2)cc1,NCGC00108615-01,18,4.3018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3C2c2cccc(OC)c2)cc1,NCGC00108621-01,18,5.0733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)CS3)cc1,NCGC00104180-01,18,5.2173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2,MLS000586370-01,18,4.7767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2)c1ccccc1,NCGC00104158-01,18,5.4699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2,NCGC00104212-01,18,5.0566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2,NCGC00104214-01,18,5.1871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2,NCGC00112093-01,18,5.0459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2,NCGC00113521-01,18,5.436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)N2CCSc3ccccc32)cc1,NCGC00113653-01,18,5.4142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2,NCGC00139824-01,18,4.9089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=Nc2cc(C(=O)NCc3ccc(C)cc3)ccc2Sc2ccc(Cl)cc21,NCGC00140473-01,18,6.1837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,NCGC00025057-01,18,2.5768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,Quercetin,1,1.988,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,NCGC00015049-02,2,2.5768,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00015697-01,2,1.6936,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00015697-02,2,1.6936,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00015697-03,2,1.6936,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00015870-01,2,1.988,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00015870-02,2,1.988,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00015870-03,2,1.988,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00016467-02,2,2.2824,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00017056-01,2,1.988,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,NCGC00017236-01,2,2.5768,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00025016-01,2,1.988,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,NCGC00025057-01,2,2.5768,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,NCGC00025282-01,2,2.5768,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,Quercetin,6,1.988,"McGovern SL and Shoichet BK, J Med Chem 46, 1478-1483 (2003)"
+O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccccc1,MLS000579219-01,18,4.4273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00015697-02,18,1.6936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,NCGC00016480-01,18,2.2824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00017056-01,18,0.3386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00025016-05,18,1.988,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,NCGC00025282-02,18,2.5768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,NCGC00094083-02,18,1.6936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc([O-])cc6)oc45)c3)oc2c1,NCGC00095478-01,18,2.112,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1,NCGC00142412-01,18,3.1742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,Genistein,20,2.5768,Shoichet Lab 2022 unpublished information
+COc1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1,MLS000561132-01,18,5.5795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCc2ccco2)n1,NCGC00035964-01,2,5.0324,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc(N)sc1-c1csc(Nc2ccccc2)n1,2866410,18,3.9008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1,651724,18,3.9094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCc2ccccc2)n1,MLS000534249-01,18,5.4394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCCc2ccccc2)n1,MLS000536956-01,18,5.4819,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1,MLS000561133-01,18,5.5795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1,MLS000561134-01,18,5.5881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1csc(Nc2cccc(Cl)c2)n1,MLS000561147-01,18,6.8777,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cccc(F)c2)n1,MLS000561159-01,18,5.71,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1,MLS000561540-01,18,5.4723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1,MLS000561566-01,18,6.8809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1,MLS000561591-01,18,5.1725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N(C(=O)c2ccco2)c2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1,MLS000561592-01,18,6.0004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1,MLS000561599-01,18,5.4559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1,MLS000561600-01,18,5.2319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1,MLS000561601-01,18,5.3118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1,MLS000561602-01,18,5.1725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1nc(-c2sc(NC(=O)CC(C)C)nc2C)cs1,MLS000561604-01,18,5.3118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1,MLS000561606-01,18,5.7019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1,MLS000561609-01,18,5.4645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1,MLS000561610-01,18,5.2405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1,MLS000561615-01,18,5.8546,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1,MLS000561616-01,18,5.7105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1,MLS000561622-01,18,5.5626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)NCCc1nc2ccccc2n1CCC,MLS000101388-01,18,2.9051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1,16012717,18,5.0189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1,16012657,18,4.9711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C1CCCCC1,16012647,18,5.0077,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1OCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21,16012646,18,4.9711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1,16012645,18,4.9711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1,16012644,18,5.3612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1,16012643,18,5.0528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)C1CCCCC1,16012625,18,5.3978,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1OCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21,16012623,18,5.3612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21,16012622,18,5.0528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(CCNC(=O)c3cccc(C)c3)nc3ccccc32)cc1,4755006,18,4.6739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)NCCc2nc3ccccc3n2CCC(C)C)c1,4754981,18,4.3633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21,3632078,18,4.3381,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1,3159995,18,4.6627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21,3159993,18,4.6627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21,2975640,18,3.948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21,2974013,18,4.5074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1,1527031,18,4.7105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1nc2ccccc2n1Cc1ccccc1F)c1ccc(F)cc1,1509329,18,4.3353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2ccccc2Cl)c1,1293046,18,5.0189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(CCNC(=O)c2cccs2)nc2ccccc21,751300,18,3.4803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21,751293,18,3.1678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21,751279,18,2.6849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21,751269,18,2.5458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)NCCc1nc2ccccc2n1C,MLS000086636-01,18,2.0321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1,MLS000053185-01,18,3.7804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1,NCGC00038274-01,2,3.7804,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)CSc2c3c(nc4ccccc24)CCC3)no1,NCGC00084707-01,2,3.7507,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1,MLS000032361-01,18,2.7297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CSc2nc(CCC3CCCC3)nc3ccccc23)no1,MLS000032835-01,18,4.7798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)c1,MLS000033244-01,18,2.7297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2N)o1,MLS000051847-01,18,1.9867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2nnc(SCC(=O)Nc3cc(C)on3)nc21,MLS000054707-01,18,3.0266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2ccccc2c1=O,MLS000074394-01,18,3.3413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)no1,MLS000077244-01,18,3.5256,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2cccc(C(F)(F)F)c2)no1,MLS000086617-01,18,5.2769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCc2ccccc2)OCO4)no1,MLS000095412-01,18,3.3951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NCc1cccs1,MLS000334409-01,18,4.0539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NCc1cccs1,MLS000334713-01,18,4.5682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(CC)sc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1,MLS000390414-01,18,4.5692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(SCC(=O)N3CC(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1,MLS000390601-01,18,3.8306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1,MLS000393802-01,18,3.5049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(SCC(=O)NCC3CCCO3)nc3c(sc4ccccc43)c2=O)cc1,MLS000520705-01,18,4.3552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccccc1,MLS000544676-01,18,5.3905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1,MLS000582242-01,18,5.0749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nc(=O)cc(N)n2CCc2ccccc2)cc1,NCGC00102711-01,18,3.1074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc21,647886,18,1.074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC2CCCO2)c1=NC(C)=O,3238329,18,1.4521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21,2929050,18,1.3894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(C)=O,2152425,18,1.3096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1C,665503,18,2.7573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1,664390,18,2.3768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2)c1=N,663961,18,3.0153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21,661049,18,1.2233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N,660081,18,0.4523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cccc(C)c3nc21,653959,18,1.3824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=N,653603,18,1.7843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cccc(C)c3nc21,652906,18,1.7559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3ccccc3nc21,652431,18,1.081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccn2c(=O)c3cc(C(=O)NCC4CCCO4)c(=N)n(Cc4cccnc4)c3nc12,652081,18,1.7892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(=N)c(C(=O)OC)cc2c(=O)n3ccccc3nc21,649167,18,0.9352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1,646508,18,1.4808,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1,646405,18,2.1405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CCCN1CCOCC1,MLS000040310-01,18,1.9201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1,MLS000040412-01,18,2.2307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1,MLS000075054-01,18,3.0084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1,MLS000113680-01,18,2.8944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc21,MLS000555533-01,18,1.4103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cc(C)ccc3nc21,NCGC00100304-01,18,1.3658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cc(C)ccc3nc21,NCGC00100394-01,18,1.3824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21,NCGC00100396-01,18,2.2277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)n1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21,NCGC00100464-01,18,3.1622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCC(=O)NC2CCCC2)cc1,NCGC00084795-01,2,2.2188,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnc(Cc2cc(O)nc(O)n2)n1-c1ccccc1)N1CCCCC1,NCGC00084709-01,2,2.1639,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1cccc1Cc1nnc(SCC(=O)NC2CCCC2)n1-c1ccc(F)cc1,NCGC00084718-01,2,3.4866,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCC(=O)NCC2CCCO2)c1,NCGC00084729-01,2,1.755,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCSc1nnc(Cc2cc(O)nc(O)n2)n1-c1cccc(OC)c1,NCGC00084735-01,2,2.57,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SC(C)C)c1,NCGC00084737-01,2,2.5684,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCC(=O)N2CCCCC2)c1,NCGC00084739-01,2,2.1725,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCC(=O)N2CCCCCC2)c1,NCGC00084741-01,2,2.5626,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCc2cccnc2)c1,NCGC00084765-01,2,2.7552,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C(C)Sc1nnc(Cc2cc(O)nc(O)n2)n1-c1cccc(OC)c1,NCGC00084767-01,2,2.1116,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)C(C)Sc1nnc(Cc2cc(O)nc(O)n2)n1-c1cccc(OC)c1,NCGC00084769-01,2,1.7215,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)Sc1nnc(Cc2cc(O)nc(O)n2)n1-c1ccc(OC)cc1,NCGC00084771-01,2,2.9585,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCC(=O)N2CCCC2)cc1,NCGC00084773-01,2,1.7824,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCC(=O)N2CCC(C)CC2)cc1,NCGC00084775-01,2,2.4185,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCc2ccccc2)cc1,NCGC00084797-01,2,3.3602,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)C(C)Sc1nnc(Cc2cc(O)nc(O)n2)n1-c1ccc(OC)cc1,NCGC00084801-01,2,1.7215,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCc2cccnc2)cc1,NCGC00084805-01,2,3.1453,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(-n2c(Cc3cc(O)nc(O)n3)nnc2SCC(=O)OC)cc1,NCGC00084807-01,2,1.7231,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C(C)Sc1nnc(Cc2cc(O)nc(O)n2)n1-c1ccc(OCC)cc1,NCGC00084825-01,2,2.5017,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnc(Cc2cc(O)nc(O)n2)n1-c1ccc(F)cc1)N1CCCCC1,NCGC00084831-01,2,2.303,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnc(Cc2cc(O)nc(O)n2)n1-c1ccc(F)cc1)NC1CCCC1,NCGC00084833-01,2,2.3493,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCN(C(=O)CSc2nnc(Cc3cc(O)nc(O)n3)n2-c2ccc(Cl)cc2)CC1,NCGC00084835-01,2,3.0633,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnc(Cc2cc(O)nc(O)n2)n1-c1ccc(Cl)cc1)NC1CCCC1,NCGC00084837-01,2,2.8636,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NC4CCCCC4)n3C)cs2)cc1,MLS000526318-01,18,4.5457,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(OC)cc3)[nH]2)cc1,MLS000586791-01,18,4.9118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(OC)cc3)[nH]2)cc1,NCGC00107902-01,18,4.9118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,NCGC00084655-01,2,3.6747,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,NCGC00064247-01,2,2.9173,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,NCGC00084651-01,2,3.341,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NC1CCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,NCGC00084653-01,2,3.6884,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,NCGC00084657-01,2,3.0876,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,NCGC00084659-01,2,2.4681,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1,NCGC00085429-01,2,2.3464,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCCC3)cc12,MLS000046269-01,18,3.5745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,MLS000060573-01,18,2.9173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1,MLS000068560-01,18,1.8522,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12,MLS000086632-01,18,3.9646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc(C)cc2)cc1,NCGC00135417-01,18,5.4686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccccc2)c1,MLS000722163-01,18,5.4795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2cccc(C)c2)cc1,NCGC00104812-01,18,5.7335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccccc3)nc3c(oc4ccccc43)c2=O)c1,NCGC00112718-01,18,5.4795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc(F)cc2)c1,NCGC00135401-01,18,5.3537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1F)Nc1ccccc1C(F)(F)F,NCGC00135553-01,18,5.7557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1F)Nc1cccc(C(F)(F)F)c1,NCGC00135555-01,18,5.7557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1-n1c(SCC(=O)NCc2ccco2)nc2c([nH]c3ccccc32)c1=O,NCGC00135581-01,18,4.1855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1,NCGC00135693-01,18,5.6166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2[nH]c3ccccc3c2nc(SCc2cccc(F)c2)n1-c1ccccc1,NCGC00135699-01,18,5.2984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n23)cc1,NCGC00136451-01,18,3.3778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(-c3ccc(NCCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1OC,NCGC00119352-01,18,4.9836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)cc1OC,NCGC00085725-01,2,4.0376,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccccc1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1,MLS000581547-01,18,4.5017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNc2ccc(-c3nc(-c4ccccn4)no3)cc2[N+](=O)[O-])cc1,NCGC00119244-01,18,4.6273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1noc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)n1,NCGC00119254-01,18,4.6749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1noc(-c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)n1,NCGC00119256-01,18,4.3275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1noc(-c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)n1,NCGC00119258-01,18,4.647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-],NCGC00119262-01,18,4.3275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-],NCGC00119268-01,18,2.9465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Nc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-])c1ccccc1,NCGC00119326-01,18,5.468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1ccc(-c2nc(C(C)C)no2)cc1[N+](=O)[O-],NCGC00119332-01,18,4.3889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(-c3ccc(NCc4ccco4)c([N+](=O)[O-])c3)n2)cc1OC,NCGC00119348-01,18,4.5341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC,NCGC00119354-01,18,4.6835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(-c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)n2)cc1OC,NCGC00119374-01,18,4.6556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN(C)c2ccc(-c3nc(-c4ccc(OC)c(OC)c4)no3)cc2[N+](=O)[O-])cc1,NCGC00119376-01,18,4.974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC,NCGC00119382-01,18,3.9378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2noc(-c3ccc(NCC4CCCO4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC,NCGC00119406-01,18,3.9285,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2noc(-c3ccc(NCc4ccco4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC,NCGC00119408-01,18,4.5427,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2noc(-c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC,NCGC00119410-01,18,5.0822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC,NCGC00119414-01,18,4.9497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2noc(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC,NCGC00119418-01,18,4.6921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2noc(-c3ccc(NCc4cccnc4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC,NCGC00119420-01,18,4.3447,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNc2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])cc1,NCGC00119442-01,18,4.6273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-],NCGC00119477-01,18,5.2409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2noc(-c3ccc(NCc4ccco4)c([N+](=O)[O-])c3)n2)c1,NCGC00119503-01,18,4.8253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)ccc1O,NCGC00115438-01,18,4.6745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2cccc(Cl)c2)cc1,MLS000552038-01,18,5.2322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2[nH]nc(-c3ccccc3O)c2C(c2ccc(Cl)cc2)N1Cc1ccco1,NCGC00115380-01,18,4.7741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1cccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)c1,NCGC00115384-01,18,4.9095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)ccc1OCC(C)C,NCGC00115386-01,18,5.1641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(OCc2ccccc2)cc1,NCGC00115408-01,18,4.943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(OCc2ccccc2)cc1,NCGC00115412-01,18,5.7216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2[nH]nc(-c3ccccc3O)c2C(c2ccc(Cl)cc2)N1CCc1ccccc1,NCGC00115418-01,18,5.2236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1,NCGC00115420-01,18,4.8786,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2ccccc2)cc1,NCGC00115446-01,18,4.5788,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2cccc(OC)c2)cc1,NCGC00115452-01,18,4.5874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2ccc(OC)cc2)cc1,NCGC00115470-01,18,4.5874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(OCc2ccccc2)c(OC)c1,NCGC00115478-01,18,5.3251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1cccc(OCc2ccccc2)c1,NCGC00115480-01,18,5.3165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(OCc2ccccc2)c(OCC)c1,NCGC00115482-01,18,5.7152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(C(C)(C)C)cc1,NCGC00115484-01,18,5.4251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(OCc2ccccc2)cc1,NCGC00115502-01,18,5.7066,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(OCc2ccccc2)c(OC)c1,NCGC00115504-01,18,5.7152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1cc(Br)c(O)c(OC)c1,NCGC00115506-01,18,4.6043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2[nH]nc(-c3ccccc3O)c2C(c2cccc(OCc3ccccc3)c2)N1CCO,NCGC00115514-01,18,3.8988,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1,NCGC00116243-01,18,3.1906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1,NCGC00116269-01,18,4.7375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(C2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)c1,NCGC00116277-01,18,4.8278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)sc2c1,NCGC00098210-01,18,5.2892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1,MLS000062723-01,18,4.2157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(C)N=C(S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1,MLS000333922-01,18,6.158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1,MLS000334514-01,18,5.9753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccco4)cc3)sc2c1,MLS000390197-01,18,4.6602,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1,MLS000393040-01,18,5.3809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,MLS000395044-01,18,5.0977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN=C(S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1,MLS000416384-01,18,5.7695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S(C)(=O)=O)cc1,MLS000546141-01,18,4.9848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1,MLS000558248-01,18,3.5304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1,MLS000573949-01,18,4.4947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)Nc1ccc(CSc2ccccc2)cc1,MLS000575133-01,18,4.9964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(NC(=O)C(C)N4C(=O)c5ccccc5C4=O)cc3)sc2c1,MLS000578323-01,18,4.8949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,MLS000587794-01,18,5.3809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)sc2c1,MLS000591638-01,18,5.2116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1,MLS000724867-01,18,4.7658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1,NCGC00098885-01,18,5.4529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(NC(=O)COc4c(C)ccc(C)c4C)cc3)sc2c1,NCGC00099580-01,18,6.2145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1F)Nc1ccc2nc(SCCOc3ccccc3)sc2c1,NCGC00118800-01,18,5.624,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1F)Nc1ccc(-c2nc3ccccc3s2)cc1,NCGC00118994-01,18,5.1199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1,MLS000568767-01,18,5.0275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc(Cl)c1,ZINC5061076,16,6.0077,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1,MLS000324710-01,18,5.2591,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1,MLS000325022-01,18,3.2511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc1,MLS000325033-01,18,2.5977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1,MLS000540198-01,18,3.9469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1,MLS000540199-01,18,3.9469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1cccc(Cl)c1,MLS000571688-01,18,6.0077,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1,MLS000572721-01,18,5.0819,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1,MLS000572826-01,18,5.4461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1,MLS000573253-01,18,4.1393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1,MLS000573340-01,18,5.5675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)cc1,MLS000573357-01,18,5.3985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)c1,MLS000573938-01,18,3.4222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1[N+](=O)[O-],MLS000574436-01,18,4.9357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1,MLS000574496-01,18,5.5063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-],MLS000574518-01,18,4.2823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2cccc3c(C)cc(C)nc23)cc1,MLS000577167-01,18,4.2869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1Cl,MLS000577929-01,18,4.214,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,MLS000578336-01,18,5.4057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(O)nc3c2)cc1,MLS000585537-01,18,2.7037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1,MLS000704246-01,18,2.5977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1,MLS000560848-01,18,3.6783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C[n+]1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1,MLS000533009-01,18,1.2039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)Oc2cccc(C=NNC(=O)c3cccc(F)c3)c2)cc1,MLS000544256-01,18,4.217,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc1,MLS000544323-01,18,4.2845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccccc1,MLS000544340-01,18,4.4169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cccc3ccccc23)cc1,MLS000544510-01,18,4.8646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Oc2cc(C=NN=C(N)S)ccc2OC)cc1,MLS000545047-01,18,2.5014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,MLS000552313-01,18,3.8152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1,MLS000558670-01,18,4.5831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,MLS000567444-01,18,3.5154,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1cncc(Br)c1,MLS000573024-01,18,3.5559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C=NNC(=O)c2ccc(OCc3cccc(Br)c3)cc2)c1,MLS000575460-01,18,4.8006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1,MLS000577551-01,18,4.1783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1,MLS000578080-01,18,3.1699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C=NNC(=O)c1ccc(-c2ccccc2)cc1,MLS000584249-01,18,4.1261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NCC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1,MLS000584259-01,18,2.7027,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2sccc2C)cc1,MLS000584320-01,18,3.9863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NN=Cc2ccc(OC)c(CSc3ccccn3)c2)cc1,MLS000584362-01,18,4.155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1,MLS000585760-01,18,3.5951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1,MLS000587938-01,18,3.7398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccc(NN=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)cc1,MLS000589715-01,18,4.7034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1,MLS000591406-01,18,5.3699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)cc1,MLS000698206-01,18,3.8761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1,MLS000700718-01,18,4.4739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1ccccc1,MLS000704213-01,18,3.3984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cc2)cc1,NCGC00119104-01,18,5.6428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(CC)c1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1,MLS000374591-01,18,6.4592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1,MLS000408876-01,18,5.5456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)S(C)(=O)=O)cc1,MLS000531047-01,18,3.9422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)cc1,MLS000539677-01,18,5.496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1,MLS000540196-01,18,3.6385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1,MLS000553891-01,18,5.6428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1,MLS000568588-01,18,3.5289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OC,MLS000571714-01,18,6.3134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccccc1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1,MLS000578993-01,18,6.4578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Br)o2)cc1,MLS000580511-01,18,4.3841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1,MLS000580593-01,18,4.0901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1,MLS000581296-01,18,5.1768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1,MLS000581442-01,18,6.7662,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F,MLS000586570-01,18,5.0557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1,MLS000586627-01,18,4.2451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3nc2O)c2ccccc2)cc1,MLS000862566-01,18,4.9527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1,NCGC00115038-01,18,3.001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1,NCGC00115846-01,18,3.866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cc2)c1,NCGC00119106-01,18,5.6428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cc2)cc1,NCGC00119108-01,18,5.343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cc2)cc1,NCGC00119140-01,18,5.7331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cc2)c1,NCGC00119144-01,18,5.7331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccc(C)cc3c2=O)cc1,NCGC00111221-01,18,3.8185,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,NCGC00085431-01,2,2.6687,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1,MLS000089969-01,18,3.0496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)cc1,MLS000586868-01,18,4.2289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3cc4c(cc3c2=O)OCO4)cc1,MLS000722171-01,18,4.8738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1,NCGC00099594-01,18,3.5663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)c(=O)c(C(=O)c1ccc3c(c1)OCO3)cn2Cc1ccc(Cl)cc1,NCGC00110082-01,18,4.9713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2cc(C(=O)c3ccc4c(c3)OCO4)c(=O)c3cc(C)ccc32)cc1,NCGC00110150-01,18,4.6263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccc(F)cc3c2=O)cc1,NCGC00110946-01,18,4.3014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccc(OC)cc3c2=O)cc1,NCGC00110950-01,18,4.1709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3cc4c(cc3c2=O)OCO4)cc1,NCGC00111115-01,18,4.8157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)c(C)c1)cn2CC(=O)Nc1ccccc1,NCGC00111133-01,18,4.3983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc3c(cc21)OCO3)Nc1ccc(Cl)cc1,NCGC00111159-01,18,3.8551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccc(F)cc3c2=O)cc1C,NCGC00111161-01,18,4.8823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc4c(cc32)OCO4)cc1,NCGC00111185-01,18,3.5101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1C,NCGC00111217-01,18,3.8185,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)c(Cl)c3)c3ccc(C)cc3c2=O)cc1,NCGC00111253-01,18,5.0517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C)c3)c3cc4c(cc3c2=O)OCO4)cc1,NCGC00111263-01,18,3.8185,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc4c(cc32)OCO4)c1,NCGC00111281-01,18,3.6492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1OC,NCGC00111317-01,18,4.1831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc3c2=O)cc1,NCGC00111321-01,18,4.3438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)c1,NCGC00111475-01,18,4.5731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCO4)c1,NCGC00111507-01,18,3.9283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)cc1,NCGC00111509-01,18,4.2733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nn(C)c3sc(C(=O)NCCc4ccc(Cl)cc4)cc23)c1,NCGC00108805-01,18,4.9363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21,NCGC00084609-01,2,4.9176,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCc3ccco3)sc21,NCGC00084635-01,2,4.4782,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,NCGC00084637-01,2,4.0934,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,NCGC00084643-01,2,4.4169,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCCC1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,NCGC00084645-01,2,4.1693,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,NCGC00084647-01,2,4.0268,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,NCGC00084667-01,2,3.8695,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N2CCN(C(=O)c3cc4c(-c5ccc(Cl)cc5)nn(C)c4s3)CC2)cc1,NCGC00084673-01,2,4.9262,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCCN3CCCC3)sc21,NCGC00084679-01,2,4.1709,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(CNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)o1,NCGC00084697-01,2,4.7866,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc21,NCGC00084701-01,2,4.1464,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,NCGC00084703-01,2,4.3059,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NC3CC3)sc21,NCGC00084705-01,2,3.8474,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1N1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,MLS000117280-01,18,4.9262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21,MLS000117281-01,18,4.9176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2ccc3c(N)c(C(=O)NCc4ccc(Cl)cc4)sc3n2)c1,NCGC00100470-01,18,5.1375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(-c2ccccc2F)c2cc(C(=O)NCCc3ccc(Cl)cc3)sc21,NCGC00108778-01,18,5.0668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1,NCGC00111347-01,18,4.7218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(-c2ccccc2F)c2cc(C(=O)NCc3cccc(Cl)c3)sc21,NCGC00111381-01,18,5.0243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)NCCc3ccc(Cl)cc3)[nH]n2)cc1,NCGC00125605-01,18,3.7112,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,MLS000531891-01,18,1.8768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,MLS000031873-01,18,2.3397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1)N1CCCCCC1,MLS000033308-01,18,3.1054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1,MLS000050574-01,18,1.032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1[nH]nc2ccccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000060564-01,18,2.8628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000067221-01,18,0.9525,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N3CCCCC3)ccc1-2)N1CCCCC1,MLS000070228-01,18,3.2428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000114131-01,18,1.7759,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1,MLS000331254-01,18,3.0455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000374746-01,18,2.2364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc2ccccc2c1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000392968-01,18,2.7991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2ccccc2n1,MLS000393484-01,18,3.9701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1,MLS000394708-01,18,4.3356,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000409125-01,18,3.6062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1,MLS000409288-01,18,3.6822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccc2c(c1)CCC2,MLS000409361-01,18,3.2735,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Oc2ccc(Cl)cc2)c(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1,MLS000530608-01,18,4.4815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1,MLS000531896-01,18,4.0964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000707821-01,18,4.6652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc2nc(NCc3ccccc3Cl)ccc2c1)N1CCCCC1,NCGC00127762-01,18,4.6749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1Nc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2n1,NCGC00127802-01,18,4.5517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1,699259,18,4.4505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cncc(Br)c1,MLS000050529-01,18,5.0437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNCC(=O)Nc1ccc(-c2nc3cc(NC(=O)CNCCCC)ccc3o2)cc1,MLS000078260-01,18,4.1512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(F)c1F,MLS000100267-01,18,4.7071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)cc1,MLS000521415-01,18,4.9124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1F,MLS000526008-01,18,5.0253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccs1,MLS000533646-01,18,5.9618,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccc2ccccc12)Nc1ccc2oc(-c3ccccc3)nc2c1,MLS000535614-01,18,5.8292,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc(C)c(OC(=O)c3cccc(C)c3)c2)c1,MLS000544638-01,18,5.0834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3)nc2c1,MLS000572804-01,18,4.9915,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1,MLS000574062-01,18,4.5505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)c1,MLS000582356-01,18,4.8575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)c1,NCGC00098309-01,18,6.9712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1Br,NCGC00098336-01,18,6.6714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc2ccccc2c1,NCGC00098365-01,18,7.3162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)c1,NCGC00098568-01,18,6.6714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1,NCGC00098658-01,18,6.4433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)c1,NCGC00098990-01,18,5.6378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1,NCGC00098992-01,18,5.6378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1,NCGC00099047-01,18,5.4486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1,NCGC00102399-01,18,6.0259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(SCC(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1,NCGC00119022-01,18,5.8424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(SCC(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1,NCGC00119054-01,18,6.1874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1,NCGC00085781-01,2,1.5274,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,NCGC00051626-01,2,1.6686,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc5c(c4)OCO5)C3)ccc21,NCGC00085251-01,2,1.5773,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccs2)C1,NCGC00085459-01,2,2.1939,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccnc2)C1,NCGC00085771-01,2,1.5775,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)n1,NCGC00085773-01,2,1.8859,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2cccnc2)C1,NCGC00085775-01,2,2.489,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(OC)c1,NCGC00085777-01,2,2.1382,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)CC1,NCGC00085779-01,2,0.783,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(C1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccccn2)CC1,NCGC00085799-01,2,1.2261,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1,NCGC00085801-01,2,1.8922,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)CC1,NCGC00085803-01,2,1.2194,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1,NCGC00085807-01,2,0.4886,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1,NCGC00085811-01,2,3.2756,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,MLS000074020-01,18,3.629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12,MLS000086635-01,18,3.8205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,MLS000521750-01,18,1.9399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1,MLS000538235-01,18,4.0281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)cc1,NCGC00132051-01,18,3.2038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1ccc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc(F)cc4)C3)ccc21,NCGC00132075-01,18,3.0345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)cc1,NCGC00132107-01,18,3.4578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)cc1,NCGC00085529-01,2,3.624,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,NCGC00085437-01,2,1.9617,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,NCGC00085439-01,2,2.3518,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,NCGC00085441-01,2,2.7419,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,NCGC00085443-01,2,3.378,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,NCGC00085445-01,2,2.5179,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCC1,NCGC00085447-01,2,1.9543,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1,NCGC00085465-01,2,2.7345,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCOCC1,NCGC00085467-01,2,1.1907,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(C(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)CC1,NCGC00085473-01,2,1.6326,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCc2ccccc21,NCGC00085475-01,2,3.3113,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCc2ccccc21,NCGC00085477-01,2,2.9212,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1,NCGC00085497-01,2,2.9706,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)cc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1,NCGC00085501-01,2,3.5874,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1cccc(F)c1,NCGC00085507-01,2,3.1097,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(F)cc1,NCGC00085509-01,2,3.1097,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1Cl,NCGC00085531-01,2,3.9324,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,NCGC00085535-01,2,2.9792,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,NCGC00085543-01,2,3.3693,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1,MLS000072842-01,18,3.8749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)CCC2,MLS000335342-01,18,4.267,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nnc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2C)c1,MLS000582712-01,18,4.3874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)cc1,NCGC00085468-01,2,3.6913,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1,NCGC00085235-01,2,2.8541,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1,NCGC00053311-01,2,2.4728,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)Cc1cc(C(=O)NCCN2CCOCC2)no1,NCGC00085203-01,2,0.9351,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)no1,NCGC00085225-01,2,4.4322,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1,NCGC00085229-01,2,3.6878,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1ccc(NC(=O)c2cc(CC(C)C)on2)cc1,NCGC00085231-01,2,3.328,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CSc1ccccc1NC(=O)c1cc(CC(C)C)on1,NCGC00085233-01,2,3.8473,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1OC,NCGC00085237-01,2,3.1426,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl,NCGC00085239-01,2,3.796,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1,NCGC00085257-01,2,4.1661,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)Cc1cc(C(=O)Nc2ccc(F)cc2F)no1,NCGC00085259-01,2,3.4036,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)c2cc(CC(C)C)on2)no1,NCGC00085261-01,2,2.4218,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(Cn2ccc(NC(=O)c3cc(CC(C)C)on3)n2)cc1,NCGC00085267-01,2,3.6786,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCc1cc(C(=O)Nc2ccc(C)cc2)no1,NCGC00085363-01,2,3.1878,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccc(F)cc2)nn1,MLS000034560-01,18,2.4465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1,MLS000052773-01,18,2.4728,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2,MLS000088425-01,18,3.7127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)nc2n1,MLS000100270-01,18,1.7221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2,MLS000107978-01,18,4.9378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Nc1ccc2c(c1)OCO2,MLS000550630-01,18,1.5936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@H]2c2ccc(Cl)cc2)c1,NCGC00159750-01,18,5.0174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@H]1C(c2cccc(Cl)c2)=NN(c2ccccc2)[C@@H]1CO,NCGC00159628-01,18,4.7176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@H]1C(c2cccc(C)c2)=NN(c2ccccc2)[C@@H]1CO,NCGC00159669-01,18,4.3726,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@H]2c2ccccc2)c1,NCGC00159673-01,18,4.364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC[C@@H]1[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1,NCGC00159678-01,18,4.0556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC[C@@H]1[C@@H](c2ccc(F)cc2)C(c2ccc(F)cc2)=NN1c1ccccc1,NCGC00159686-01,18,4.3338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1CO,NCGC00159713-01,18,4.0642,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@H]2C)c1,NCGC00159737-01,18,3.2163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[C@H]1C(c2ccc(F)cc2)=NN(c2ccccc2)[C@@H]1CO,NCGC00159742-01,18,4.2033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC[C@@H]1[C@@H](c2ccccc2)C(c2ccc(F)cc2)=NN1c1ccccc1,NCGC00159784-01,18,4.1947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@H]1C(c2cccc(Cl)c2)=NN(c2ccccc2)[C@@H]1CO,NCGC00159818-01,18,3.5613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1CO,NCGC00159910-01,18,3.298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NCc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCCC3,NCGC00127355-01,18,3.9153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1,MLS000696590-01,18,3.227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1,MLS000696600-01,18,4.0072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCCC2)cc1,MLS000696610-01,18,3.7612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCCCC2)cc1,MLS000696620-01,18,4.1513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCCC3,NCGC00127315-01,18,4.546,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1,NCGC00127317-01,18,4.4143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1,NCGC00127323-01,18,4.4402,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCCC3,NCGC00127341-01,18,3.9239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NCc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCCC3,NCGC00127345-01,18,4.0544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCCC3,NCGC00127347-01,18,4.6363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1,NCGC00127373-01,18,4.0242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCCC3,NCGC00127375-01,18,4.6606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(CNS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1,NCGC00127379-01,18,3.9813,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1,NCGC00127612-01,18,4.2462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCCC3,NCGC00127614-01,18,4.2575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(S(=O)(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)CC2)c1C,NCGC00127626-01,18,4.5645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)cc1,NCGC00135122-01,18,4.8303,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)cc1,NCGC00135126-01,18,4.6363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)cc1Cl,NCGC00135152-01,18,5.5895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)cc1C,NCGC00135154-01,18,5.2445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cc(F)ccc1F)c1ccc2[nH]c3c(c2c1)CCCCC3,NCGC00141608-01,18,4.5158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1,MLS000697300-01,18,4.6389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(N2C(=O)N(CC(=O)c3ccc(C)cc3)c3ccccc3S2(=O)=O)cc1,NCGC00138217-01,18,4.2158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CN2C(=O)N(c3ccc(C(C)=O)cc3)S(=O)(=O)c3ccccc32)cc1,NCGC00138221-01,18,3.916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)c1,NCGC00138225-01,18,5.4314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)c1,NCGC00138247-01,18,4.9474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc3S2(=O)=O)c1,NCGC00138251-01,18,5.628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1N1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O,NCGC00138259-01,18,5.2379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=Cc1ccc(CN2C(=O)N(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc32)cc1,NCGC00138285-01,18,5.2819,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=Cc1ccc(CN2C(=O)N(c3cccc(Cl)c3)S(=O)(=O)c3ccccc32)cc1,NCGC00138315-01,18,5.3185,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N2C(=O)N(Cc3ccc(C#N)cc3)c3ccccc3S2(=O)=O)c1,NCGC00138377-01,18,3.9024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N(Cc2cccc(C(F)(F)F)c2)c2ccccc2S(=O)(=O)N1c1cccc(Cl)c1,NCGC00138379-01,18,5.6943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)c1,NCGC00138381-01,18,5.6577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2C(=O)N(Cc3cccc(C#N)c3)c3ccccc3S2(=O)=O)c1,NCGC00138409-01,18,4.2022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1,NCGC00138415-01,18,5.7989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc3S2(=O)=O)cc1,NCGC00138417-01,18,5.0537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1cccc(N2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2(=O)=O)c1,NCGC00138421-01,18,4.6522,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2C(=O)N(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc32)cc1,NCGC00138499-01,18,5.2923,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)c1,NCGC00138501-01,18,4.778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CN2C(=O)N(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc32)cc1,NCGC00138521-01,18,4.3302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(N2C(=O)N(CC(=O)c3ccc(Br)cc3)c3ccccc3S2(=O)=O)c1,NCGC00138525-01,18,5.0841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C(=O)CN2C(=O)N(c3ccc(C)cc3)S(=O)(=O)c3ccccc32)c1,NCGC00138527-01,18,4.0304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1,NCGC00138529-01,18,5.2133,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1,NCGC00141816-01,18,4.9839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1,MLS000594070-01,18,4.339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1,NCGC00085697-01,2,4.4005,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1,MLS000094242-01,18,4.0491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOC(=O)Nc1nc2ccc(OC)cc2s1,MLS000112816-01,18,3.6535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ncccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1,MLS000335324-01,18,5.4578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc4ccccc4s3)cc2)cc1,MLS000336662-01,18,4.5376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(NC(=O)CCn3cccc3)sc2c1,MLS000522777-01,18,3.5253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOC(=O)Nc1nc2ccccc2s1,MLS000534112-01,18,3.6449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2c1,MLS000537382-01,18,3.4158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)c1ccc2nc(NC(=O)Nc3cccc(Cl)c3)sc2c1,MLS000550250-01,18,3.9972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1,MLS000556551-01,18,5.0792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1,MLS000559673-01,18,3.9972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,MLS000582875-01,18,3.6522,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(N=Cc3nc(-c4ccccc4)oc3O)sc2c1,MLS000585446-01,18,4.8062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)sc2c1,MLS000590519-01,18,6.6166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(Nc2nc3ccc(OC)cc3s2)cc1C,MLS000720378-01,18,4.5951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNc1nc2ccccc2s1)Nc1ccccc1,MLS000722223-01,18,3.4449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)Nc2cc(-c3ccccc3)sc2C(=O)OC)cc1,MLS000723034-01,18,5.2444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)Nc2cccc(C)n2)cc1,NCGC00106805-01,18,3.4327,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-n2ccnc2SCC(=O)Nc2nc3ccc(C)cc3s2)cc1,NCGC00135775-01,18,4.9199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12,MLS000584643-01,18,4.5739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1-c1cc(C(=O)NN=Cc2ccc3c(c2)OCO3)c2ccccc2n1,MLS000324742-01,18,4.7931,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccsc1)c1cc(-c2cccs2)nc2ccccc12,MLS000336172-01,18,4.7887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1,MLS000375286-01,18,5.477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc2c(c1)OCO2)c1cc(-c2ccccc2Cl)nc2ccccc12,MLS000388856-01,18,5.0478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc2c(c1)OCO2)c1cc(-c2ccc(F)cc2)nc2ccccc12,MLS000394429-01,18,4.5335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc(-c2cccc(Br)c2)nc2ccccc12,MLS000543647-01,18,4.9294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1,MLS000555728-01,18,5.0378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(C=NNc2cc(Cl)nc(-c3ccccc3)n2)c1,MLS000558628-01,18,4.1512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12,MLS000560394-01,18,5.239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)=C\c1ccco1,MLS000569036-01,18,5.3139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12,MLS000574374-01,18,5.0292,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccc2ccccc12)NN=C/C=C/c1cccc([N+](=O)[O-])c1,MLS000578185-01,18,4.1059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)Nn1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O,MLS000584713-01,18,3.7552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccccc2)nc2ccccc12,MLS000585465-01,18,4.2795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1,MLS000591322-01,18,3.1049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccc([N+](=O)[O-])c1)C1CC1c1ccccc1,MLS000595022-01,18,2.8486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccco1)c1cc(-c2cccc(Br)c2)nc2ccccc12,MLS000703783-01,18,5.0212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1,MLS000556557-01,18,4.7773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1,ZINC4076934,16,5.7391,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+c1ccc(Nc2nc(-c3cccs3)cs2)nc1,MLS000030057-01,18,4.0102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1,MLS000048942-01,18,4.5425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(Nc2nc(-c3cccs3)cs2)nc1,MLS000064746-01,18,4.6636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)C1CCCCC1C(=O)Nc1nc(-c2cccs2)cs1,MLS000065395-01,18,3.7011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)s1,MLS000102880-01,18,4.8388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1sc(NC(=O)c2ccc(C)cc2)nc1-c1cccs1,MLS000529006-01,18,4.3907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccs2)cs1,MLS000535378-01,18,4.8509,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1,MLS000564778-01,18,5.7391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1Cl)Nc1nc(-c2cccs2)cs1,MLS000566722-01,18,4.5425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1,NCGC00141016-01,18,4.1108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)COc2ccccc2)s1,MLS000532857-01,18,2.6676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nnc(SCC(=O)NCCOc2ccccc2)s1,1957156,18,1.4076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1,MLS000082525-01,18,1.9696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/c2nnc(NC(=O)COc3ccc(C)cc3)s2)cc1,MLS000331565-01,18,4.043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1,MLS000535425-01,18,3.8208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)Nc1nonc1NC(=O)COc1ccccc1,MLS000536851-01,18,2.1046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCC(=O)Nc2nnc(-c3ccco3)s2)cc1,MLS000556410-01,18,2.8242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1nnc(NC(=O)COc2ccc(F)cc2)s1,MLS000558106-01,18,1.8003,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOC(=O)Nc1nnc(SCCOc2ccc(C)cc2)s1,MLS000580037-01,18,4.3662,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)COC(=O)Nc1nnc(SCCOc2ccccc2)s1,MLS000580615-01,18,3.9137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1,MLS000696855-01,18,4.0234,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)C2CC2c2ccccc2)s1,MLS000700468-01,18,3.3923,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)o2)s1,MLS000720283-01,18,2.7025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)s1,MLS000720333-01,18,2.833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2n1C,MLS000529721-01,18,3.2012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(Cl)cc1,16029229,18,2.7831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)c3cccs3)ccc2n1C,MLS000089487-01,18,3.4782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)Nc3ccccc3)ccc2n1C,MLS000089498-01,18,3.8084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2n1C,MLS000102133-01,18,3.5913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNS(=O)(=O)c3ccccc3)ccc2n1C,MLS000102141-01,18,2.9652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1,MLS000102142-01,18,2.9738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)c(C)c1,MLS000529682-01,18,3.8905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2[nH]1,MLS000529691-01,18,3.5809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2n1C,MLS000529916-01,18,3.6186,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(Cl)cc1,MLS000571042-01,18,2.5977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2sc3ccc(S(=O)(=O)N4CCCCC4)cc3c2N)cc1,MLS000586638-01,18,3.8965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3)ccc2n1C,MLS000724645-01,18,3.3249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1,NCGC00133395-01,18,4.0048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1,NCGC00133401-01,18,3.3489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(CCNC(=O)c2cc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1,NCGC00133421-01,18,4.0473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CNC(=O)c1cc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C,NCGC00133423-01,18,3.5913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)NCc2cccc(F)c2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21,NCGC00133425-01,18,3.422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)cc1,MLS000527530-01,18,5.6668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1,NCGC00029940-01,2,4.1294,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1,NCGC00042619-01,2,3.8309,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1,NCGC00062943-01,2,3.1775,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nncs1)N1c2ccccc2Sc2ccccc21,MLS000058266-01,18,4.4597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2CCc2ccccc21,MLS000096713-01,18,4.8852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Sc1nnc(-c2ccccc2)o1)N1c2ccccc2Sc2ccccc21,MLS000112138-01,18,6.2516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1,MLS000116554-01,18,3.5762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccccc4F)o3)C(c3ccco3)C2)cc1,MLS000417549-01,18,4.9473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccccc2)o1)Oc1ccc(Br)cc1,MLS000525963-01,18,4.1968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1c2ccccc2CCc2ccccc21,MLS000527915-01,18,5.8576,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NCc2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)c(C)c1,MLS000551884-01,18,6.2201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc21,MLS000552282-01,18,5.4949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)c1,MLS000555811-01,18,6.2322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)cc1,MLS000555824-01,18,6.2322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1c2ccccc2Sc2ccccc21,MLS000556173-01,18,5.7424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2o1)N1c2ccccc2Sc2ccccc21,MLS000559294-01,18,5.7494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2o1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,MLS000562755-01,18,6.7682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)cc1,MLS000564526-01,18,6.532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccccc3)o2)cc1,MLS000566084-01,18,2.8633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2o1)N1c2ccccc2Sc2ccc(Cl)cc21,MLS000576786-01,18,6.4028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(SCC(=O)Oc3cccc(C)c3C)o2)cc1,NCGC00119698-01,18,4.0597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2,MLS000107328-01,18,3.7273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)no1,NCGC00085333-01,2,3.9964,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCOC(=O)Nc1sc2c(c1C(=O)OCC)CCC2,MLS000088484-01,18,3.372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)no1,MLS000116384-01,18,3.9964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)COC(=O)c2ccccc2O)sc2c1CCCCC2,MLS000374704-01,18,3.3047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)sc2c1CCCC2,MLS000401544-01,18,3.843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)c2cccs2)nc1C,MLS000532338-01,18,2.942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1,MLS000532886-01,18,4.0658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)NC2CCCCC2)c1C,MLS000534784-01,18,4.5384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(C)C1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1,MLS000535454-01,18,4.7019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCc1ccccc1-2,MLS000555575-01,18,4.9427,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(N=C(S)Nc2ccc(C)cc2)sc2c1CCC2,MLS000560414-01,18,4.7513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCC)cc2)sc2c1CCCCC2,MLS000580877-01,18,3.6812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)C2(C)Cc3ccccc3C(=O)O2)sc2c1CCCC2,MLS000581604-01,18,3.9139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)sc2c1CCCC2,MLS000696863-01,18,4.1906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)C(C)Sc2cn(C)c3ccccc23)sc2c1CCC2,MLS000696938-01,18,5.0245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)CSc2cn(CC)c3ccccc23)sc2c1CCC2,MLS000696948-01,18,5.1189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)sc2c1CCC2,MLS000723090-01,18,4.7686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)sc2c1CCCC2,MLS000724578-01,18,4.8112,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2CC)sc2c1CCCC2,MLS000724588-01,18,5.2941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCC(C(C)(C)C)C3)cc1,NCGC00099838-01,18,6.8639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)Cc2coc3ccc(CC)cc23)sc2c1CCC2,NCGC00115111-01,18,4.9033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2,NCGC00136749-01,18,3.1343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1,NCGC00132434-01,18,4.3334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1,NCGC00132276-01,18,4.2431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccs1,NCGC00132302-01,18,3.9962,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)s1,NCGC00132304-01,18,4.5586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(Cl)s1,NCGC00132306-01,18,4.6496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)s1,NCGC00132308-01,18,4.3046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)s1,NCGC00132334-01,18,4.8046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccccc1F,NCGC00132368-01,18,4.4639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccc(F)c1,NCGC00132370-01,18,4.4639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(F)cc1,NCGC00132372-01,18,4.4639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)c(OC)c1,NCGC00132376-01,18,4.342,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2ccc(-c3cccc(NS(=O)(=O)c4cccs4)c3)nn2)CC1,NCGC00132396-01,18,4.2422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1,NCGC00132426-01,18,3.9433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1C,NCGC00132462-01,18,5.2501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c(C)c1,NCGC00132464-01,18,5.2501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c(C)cc1Cl,NCGC00132466-01,18,5.595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(Cl)cc1,NCGC00132502-01,18,4.198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(Br)cc1,NCGC00132504-01,18,4.3071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1Cl,NCGC00132526-01,18,4.198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1,NCGC00132532-01,18,5.3596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1C,NCGC00132534-01,18,4.86,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CN1C(=O)c2ccccc2Sc2ccc(C(=O)OCc3ccco3)cc21,NCGC00132067-01,18,6.2566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4cccc(OC)c4)c3=O)n2)cc1,NCGC00125799-01,18,2.9174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1cccc(Cl)c1,NCGC00085481-01,2,3.0966,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(CC(=O)Nc2ccc(-c3noc(COc4ccccc4C)n3)cc2)cc1,MLS000047249-01,18,4.8138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1cccc(Cl)c1,MLS000116465-01,18,3.0966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Cn2c(=O)n(CCC(=O)NC3CCCC3)c(=O)c3ccccc32)c1,MLS000520112-01,18,2.5592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)c1,MLS000568459-01,18,3.1036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1,NCGC00100595-01,18,2.3158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c3ccccc32)cc1,NCGC00106831-01,18,2.1694,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3oc4ccccc4c32)cc(OC)c1,NCGC00122646-01,18,3.6136,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(CC(=O)Nc3ccc(F)cc3F)n2)cc1,NCGC00122985-01,18,3.2046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2cc3c(cc21)OCO3,NCGC00125549-01,18,3.5907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)Nc1cccc(Cl)c1,NCGC00125765-01,18,3.5536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1,NCGC00125771-01,18,3.919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NCc2cc3ccc(OC)cc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1,NCGC00126046-01,18,4.2781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)Cn2nnc(-c3nc(-c4ccccc4)no3)c2N)c1,NCGC00141575-01,18,2.2246,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1,MLS000521685-01,18,3.4058,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21,NCGC00040084-01,2,4.9153,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccs2)CC1,MLS000086953-01,18,2.5162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2c1,MLS000335231-01,18,3.6097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2c1,MLS000585989-01,18,4.4195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2c1,MLS000585990-01,18,4.7193,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1,2787162,18,2.544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(OCc2nc3ccccc3[nH]2)c1,NCGC00084844-01,2,3.1505,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(/C=N/NC(=O)Cc2nc3ccccc3[nH]2)c1,9632315,18,2.2729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(F)cc1)NCCc1nc2ccccc2[nH]1,5297033,18,2.4397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2cc(OCC(=O)NCCc3nc4ccccc4[nH]3)ccc12,2177344,18,2.7154,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,1556384,18,2.3518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1C,1555194,18,2.9174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1Br)NCCc1nc2ccccc2[nH]1,1183113,18,3.0631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc(C)c1Cl,1112412,18,3.5708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1,732623,18,2.6993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1,724128,18,2.609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)NCCc1nc2ccccc2[nH]1,721475,18,2.3006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-],719776,18,2.752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1,717658,18,2.3092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1nc2ccccc2[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1,707837,18,3.097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1,671013,18,2.9174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1,663726,18,2.544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)NCCc1nc2ccccc2[nH]1,MLS000028332-01,18,3.2355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCC(=O)NCCc1nc2ccccc2[nH]1,MLS000101396-01,18,0.868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1,MLS000582905-01,18,4.9019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccccc2)cc1,MLS000696911-01,18,5.3656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)c2cccc(NC(=O)c3nsc4ccccc34)c2)c1,NCGC00134508-01,18,4.4872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)c1,MLS000325340-01,18,4.9019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)c2ccc(NC(=O)N3CC(C)Sc4ccccc43)cc2)c1,NCGC00113689-01,18,5.1579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccc(F)c1)c1ccccc1NC(=O)c1nsc2ccccc12,NCGC00134351-01,18,4.6177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(CNC(=O)c2ccc(NC(=O)c3nsc4ccccc34)cc2)cc1,NCGC00134410-01,18,5.2005,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(CNC(=O)c2ccc(NC(=O)c3nsc4ccccc34)cc2)c1,NCGC00134412-01,18,4.4958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CNC(=O)c2ccc(NC(=O)c3nsc4ccccc34)cc2)cc1,NCGC00134414-01,18,4.8773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CNC(=O)c1ccc(NC(=O)c2nsc3ccccc23)cc1,NCGC00134418-01,18,4.787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)c1cccc(NC(=O)c2nsc3ccccc23)c1,NCGC00134512-01,18,4.8773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2nsc3ccccc23)c1,NCGC00134514-01,18,4.787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccc(F)c1)c1cccc(NC(=O)c2nsc3ccccc23)c1,NCGC00134518-01,18,4.6177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N2CCN(C(=O)c3cccc(NC(=O)c4nsc5ccccc45)c3)CC2)c1,NCGC00134542-01,18,4.5196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)c1nsc2ccccc12,NCGC00134546-01,18,4.511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)c1nsc2ccccc12,NCGC00134548-01,18,5.1644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1nsc2ccccc12,NCGC00134550-01,18,4.6501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1)c1nsc2ccccc12,NCGC00134572-01,18,4.6501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCc2ccccc2)cc1NC(=O)c1nsc2ccccc12,NCGC00134576-01,18,4.787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)c1nsc2ccccc12,NCGC00134580-01,18,4.9261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1,NCGC00117721-01,18,4.173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1,NCGC00117559-01,18,4.0538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3)CC2)c1C,NCGC00117593-01,18,4.0172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1,NCGC00117561-01,18,4.3622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1,MLS000034830-01,18,2.9438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(O)nc4ccccc4c3n2C)CC1,MLS000521866-01,18,4.3563,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1,NCGC00112057-01,18,5.7231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)CC1,NCGC00112153-01,18,5.8622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1,NCGC00113696-01,18,5.4568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)c2cc3c(s2)-c2ccccc2OC3)c1,NCGC00112219-01,18,4.2461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccs1)c1cc2c(s1)-c1ccccc1OC2,NCGC00083023-01,2,4.299,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCN(CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1,16010526,18,3.0649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)n1,MLS000118910-01,18,4.3247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1cc2c(s1)-c1ccccc1OC2,MLS000522639-01,18,4.0163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCc2ccccc2C1,MLS000586893-01,18,4.506,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1OC2,NCGC00112181-01,18,4.9334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccc(Cl)c1)c1cc2c(s1)-c1ccccc1OC2,NCGC00112223-01,18,4.8909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c(OC)c1,NCGC00112293-01,18,4.8854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)cc1,NCGC00112357-01,18,4.5545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)cc1,NCGC00112365-01,18,4.8543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c1,NCGC00112387-01,18,4.5545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2c1-c1sc(C(=O)NCc3ccccc3Cl)cc1CO2,NCGC00112391-01,18,5.1993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N2CCN(C(=O)c3cc4c(s3)-c3c(C)cccc3OC4)CC2)c1,NCGC00112395-01,18,4.5869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c(OC)c1,NCGC00112421-01,18,4.6056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(CCNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c1,NCGC00112425-01,18,4.6056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(c2ccccc2)CC1,NCGC00112453-01,18,4.2699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1OC,NCGC00112457-01,18,4.2972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(F)cc1)c1cc2c(s1)-c1ccccc1SC2,NCGC00113648-01,18,5.0899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2cc3c(s2)-c2ccccc2SC3)cc1,NCGC00113660-01,18,5.2592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1,MLS000577671-01,18,3.5857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2c(ccc3nc(NC(=O)c4ccc5c(c4)OCCO5)sc32)s1,3244649,18,4.2379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1,MLS000075822-01,18,3.2172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2,MLS000097235-01,18,4.7842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2ccccc2)sc1Cc1ccc2c(c1)OCO2,MLS000391702-01,18,4.0233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccc2c(c1)OCO2,MLS000391703-01,18,4.6767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)sc2c1,MLS000402386-01,18,5.6652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc2c(c1)OCO2,MLS000560265-01,18,5.2527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc2c(c1)OCO2,MLS000560266-01,18,5.5977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc2c(c1)OCO2,MLS000560277-01,18,4.5193,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)sc2c1,MLS000572936-01,18,4.5187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)/C=C/c3ccc4c(c3)OCO4)sc2c1,MLS000579673-01,18,3.9853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCO2,MLS000701860-01,18,3.1786,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1,MLS000720349-01,18,4.3869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2sc(NNC(=O)c3ccc4c(c3)OCCO4)nc2c1C,MLS000724584-01,18,3.4412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)oc2c1,NCGC00102417-01,18,5.4801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1)c1ccc2c(c1)OCO2,NCGC00118558-01,18,6.1018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Cn2nnc(C(=O)NCCc3ccc(Cl)cc3)c2N)cc1,MLS000522518-01,18,2.9332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1,1331726,18,5.6047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,NCGC00085734-01,2,4.6797,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,5076890,18,4.6797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,5076888,18,5.1223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCN(c2ncccn2)CC1,4348097,18,3.9022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1,3240449,18,5.1208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,3239711,18,4.4748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1OC,3238500,18,5.1395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCC2(CC1)OCCO2,3236963,18,4.1289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,3236343,18,4.8222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCO)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,3157644,18,2.8719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1CCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1,2925160,18,4.9568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCCO)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,2301472,18,3.6537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1,2214811,18,5.5577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,1331611,18,6.4209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCN(c2ccccn2)CC1,1278518,18,4.8989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NC1CC1,1072898,18,4.4337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,762708,18,4.1584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1coc(-c2nc3ccccc3nc2-c2ccco2)c1,236275,18,4.1498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1,MLS000087222-01,18,3.4953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccco2)o1)c1ccc2ccccc2c1,MLS000720311-01,18,3.7351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,NCI61610,15,7.2778,Shoichet Lab In House Data - Allison Doak
+O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,NCI_Cmpd_61610,15,7.2778,Shoichet Lab In House Data - Allison Doak
+O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc2c(c1)OCO2,2204573,18,4.7388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1,2192323,18,5.3275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(-c3cccc(NC(=O)c4ccco4)c3)nc2c1,MLS000049337-01,18,4.3836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1,MLS000570939-01,18,4.4748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1[N+](=O)[O-],MLS000570974-01,18,5.0975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1,MLS000572982-01,18,4.9607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1,MLS000576793-01,18,5.4006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-],MLS000577721-01,18,4.7891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1,MLS000580162-01,18,5.8523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccccc1,NCGC00098262-01,18,4.9537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1c(F)cccc1F,NCGC00098445-01,18,4.7604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,NCGC00098704-01,18,5.517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(Cl)cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl,NCGC00098899-01,18,5.7976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1,NCGC00118940-01,18,5.1442,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccccc3F)nc3c(oc4ccccc43)c2=O)c1,NCGC00112736-01,18,5.6186,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1F,MLS000101479-01,18,4.2459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2ccccc2o1,MLS000537721-01,18,4.0982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccccc2)c1C,NCGC00112612-01,18,5.4795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccccc2C)cc1,NCGC00112678-01,18,5.5698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccccc1)CCS2,NCGC00112031-01,18,5.3823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1Cl)c1ccc(-c2ccccc2)cc1,MLS000389730-01,18,4.937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2CCSc3ccc(C(=O)Nc4ccc(F)cc4F)cc32)cc1,NCGC00112063-01,18,5.6378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)cc1,NCGC00112115-01,18,5.4785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc32)cc1,NCGC00112119-01,18,5.7231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1Cl)c1cc2cccc3c2n1CCS3,NCGC00125405-01,18,4.3304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1Cl)c1ccc(NC(=O)N2CCSc3ncccc32)cc1,NCGC00125967-01,18,4.8092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)nc1CN1CCc2ccccc21,NCGC00132812-01,18,5.7961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)COc2ccc(C(=O)NCCc3ccccc3)cc2)cc1,MLS000579580-01,18,4.0753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)Cc3ccccc3)cc2)cc1,MLS000335133-01,18,4.062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1,MLS000392379-01,18,3.7195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2)cc1,MLS000535564-01,18,3.965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)COc2ccc(NC(C)=O)cc2)cc1,MLS000566308-01,18,3.3054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)c2ccc(C#CC(C)(C)O)cc2)cc1,MLS000570426-01,18,3.46,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccccc1NC(=O)COc1ccc(C(=O)NCCc2ccccc2)cc1,MLS000578903-01,18,4.8,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3OCC)cc2)cc1,MLS000578956-01,18,5.6977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(S)=Nc2ccc(OCc3ccccc3)cc2)cc1,MLS000581233-01,18,5.6937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1,MLS000581323-01,18,4.5959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1,MLS000581928-01,18,4.8024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1,MLS000582769-01,18,3.2091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccccc1,MLS000582988-01,18,4.2875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1=Nc2cc(C(=O)NCCc3ccc(OCC)cc3)ccc2Sc2ccccc21,NCGC00107643-01,18,6.4433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1,MLS000573452-01,18,5.7069,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccccc3s2)cc1,MLS000546100-01,18,4.2119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccs1,MLS000572797-01,18,4.9915,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1,MLS000573005-01,18,5.3985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccccc1Br,MLS000573415-01,18,5.4276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=S)c2nc3ccccc3s2)c1,MLS000574622-01,18,4.7007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1,MLS000581645-01,18,4.3608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccs4)c3)nc2c1,MLS000591768-01,18,5.2999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N)cc4)c(S(=O)(=O)O)c3)sc2c1,NCGC00096452-01,18,4.3529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)c1,NCGC00137802-01,18,5.8776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)c1,NCGC00137810-01,18,6.1774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCc2nnc(NC(=O)Cc3cccs3)s2)cc1,MLS000064061-01,18,3.6682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1,NCGC00028364-01,2,3.3802,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC,NCGC00031335-01,2,3.3888,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCCc1nnc(NC(=O)Cc2cccs2)s1,NCGC00053660-01,2,3.5135,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)Cc2cccs2)no1,NCGC00054143-01,2,2.2257,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C)c(OCc2nnc(NC(=O)c3ccco3)s2)c1,MLS000027394-01,18,3.5792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccs1)Nc1nnc(SCC(=O)NC2CCCCC2)s1,MLS000032680-01,18,3.3218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)c(C)c1,MLS000037277-01,18,3.5792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(COc2ccccc2)s1)c1ccco1,MLS000041180-01,18,2.9624,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2nnc(Cc3cccs3)s2)cc1OC,MLS000043757-01,18,3.4599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1,MLS000096952-01,18,4.9862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)COC(=O)Nc1nnc(COc2ccccc2)s1,MLS000107621-01,18,3.3216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1,MLS000122695-01,18,2.3554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCc2nnc(NC(=O)Cc3cccs3)s2)c1,MLS000550134-01,18,3.6682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)C(NC(=O)Cc2cccs2)c2ccc(C)cc2)cc1,MLS000586326-01,18,4.1038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)c3ccccc3C2Nc2cccnc2)nc1,NCGC00085650-01,2,3.5561,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccccc1Cl,NCGC00085546-01,2,4.5017,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccc2c(c1)OCO2,NCGC00085588-01,2,3.577,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(N2C(=O)c3ccccc3C2O)nc1,NCGC00085608-01,2,2.0413,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1N1C(=O)c2ccccc2C1Nc1cccnc1,NCGC00085610-01,2,4.1611,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(Nc2ccc(F)c(Cl)c2)N1c1ccccn1,NCGC00085614-01,2,4.6452,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1c1ccccn1,NCGC00085620-01,2,4.0273,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1c1ccccn1,NCGC00085622-01,2,3.9011,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccccc2F)nc1,NCGC00085652-01,2,4.3002,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1ccccc1NC1c2ccccc2C(=O)N1c1ccc(C)cn1,NCGC00085672-01,2,4.3378,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccc(Br)cn2)nc1,NCGC00085674-01,2,4.3186,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1cccc(NC2c3ccccc3C(=O)N2c2cccnc2)c1,NCGC00085682-01,2,4.4151,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(Nc2ccccc2F)N1c1cccnc1,NCGC00085684-01,2,3.9918,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1c1cccnc1,NCGC00085686-01,2,3.9011,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)N1c1cccnc1,NCGC00085703-01,2,2.8736,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1ccccc1NC1c2ccccc2C(=O)N1c1cccnc1,NCGC00085707-01,2,3.6393,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1cc(NC2c3ccccc3C(=O)N2c2cccnc2)cc(C(=O)OC)c1,NCGC00085709-01,2,3.4259,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccccc1NC1c2ccccc2C(=O)N1c1cccnc1,MLS000044978-01,18,4.2514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(NC2c3ccccc3C(=O)N2c2cccnc2)c1,MLS000116981-01,18,4.4151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1c1ccc(Cl)cn1,MLS000118310-01,18,4.2773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCN(C2CCCCC2)CC1,NCGC00085460-01,2,2.2328,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N2CCN(CCCNC(=O)CC3Oc4ccc(C)cc4NC3=O)CC2)cc1,NCGC00085493-01,2,2.4217,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCc3ccccn3)c(=O)c2=O)CC1,NCGC00085300-01,2,0.5682,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(N3CCN(c4ccccn4)CC3)c(=O)c2=O)C1,NCGC00085232-01,2,0.7837,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(Nc3cc(C)[nH]n3)c(=O)c2=O)CC1,NCGC00085298-01,2,0.3362,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCCc3ccc(OC)c(OC)c3)c(=O)c2=O)CC1,NCGC00085320-01,2,1.2329,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCC3CCCO3)c(=O)c2=O)CC1,NCGC00085328-01,2,0.152,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(N3CCN(c4ccccn4)CC3)c(=O)c2=O)CC1,NCGC00085334-01,2,0.2827,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCc3ccccc3OC)c(=O)c2=O)CC1,NCGC00085352-01,2,1.1818,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(Nc3ccc4c(c3)OCCO4)c(=O)c2=O)CC1,NCGC00085354-01,2,1.0759,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NC3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1,NCGC00085356-01,2,1.6376,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCc3cccs3)c(=O)c2=O)CC1,NCGC00085358-01,2,1.2347,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCCCOC(C)C)c(=O)c2=O)CC1,NCGC00085360-01,2,0.7881,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(N3CCOCC3)c(=O)c2=O)CC1,NCGC00085362-01,2,-0.6023,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCCN(C)Cc3ccccc3)c(=O)c2=O)CC1,NCGC00085364-01,2,1.105,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCCN3CCCCC3CC)c(=O)c2=O)CC1,NCGC00085366-01,2,1.2375,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCC3CCN(Cc4cccc(C)c4)CC3)c(=O)c2=O)CC1,NCGC00085386-01,2,2.1936,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1,NCGC00085388-01,2,0.7908,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(NCCCN(C)c3ccccc3)c(=O)c2=O)CC1,NCGC00085390-01,2,1.4995,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C/N=c1/c(N2CCN(c3ccccn3)CC2)c(O)c1=O,NCGC00085572-01,2,-0.1866,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(c2c(N3CCc4ccccc43)c(=O)c2=O)CC1,NCGC00085594-01,2,1.2553,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCN(c2ccccn2)CC1,NCGC00085826-01,2,2.235,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,NCGC00084547-01,2,4.1443,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)o1,NCGC00066794-01,2,4.57,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(OC)c2c(-c3cccc(-c4ccc(C(F)(F)F)cc4)c3)cc(=O)oc2c1,NCGC00159803-01,18,6.163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(/C=C/c4ccc(F)cc4)c3)cc(=O)oc2c1,NCGC00159764-01,18,5.7867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cccc(-c3cc(=O)oc4cc5c(cc34)OCO5)c2)cc1,NCGC00159775-01,18,4.8643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(-c4sccc4C(C)=O)c3)cc(=O)oc2c1,NCGC00159779-01,18,5.4083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cccc(-c3cc(=O)oc4ccc(C(C)(C)C)cc34)c2)cc1,NCGC00159795-01,18,6.7329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2cccc(-c3ccc(C(F)(F)F)cc3)c2)c2cc3c(cc2o1)OCO3,NCGC00159804-01,18,5.8745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(-c2cccc(-c3cc(=O)oc4cc(OC)cc(OC)c34)c2)cc1,NCGC00159825-01,18,5.3209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cccc(-c3cc(=O)oc4ccc(C(C)(C)C)cc34)c2)cc1,NCGC00159848-01,18,6.4331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(-c4ccc(C(C)=O)cc4)c3)cc(=O)oc2c1,NCGC00159849-01,18,5.3468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc(=O)oc2c1,NCGC00159885-01,18,6.7626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(-c3cccc(-c4ccc(C#N)cc4)c3)cc(=O)oc2c1,NCGC00160044-01,18,5.0159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)c1,NCGC00111797-01,18,5.2544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccco1,MLS000092980-01,18,4.539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)c1,MLS000092986-01,18,4.6747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)c(OC)c1,MLS000093001-01,18,4.7284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1,MLS000336483-01,18,5.8809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=O)c2oc3ccccc3c2COc2ccccc2)c(C)c1,MLS000390580-01,18,6.1894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1,MLS000533519-01,18,6.5221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)c(F)c2)cc1,NCGC00111674-01,18,5.524,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3o2)cc1,NCGC00111680-01,18,5.992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1,NCGC00111702-01,18,5.8572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC(C)C)cc2)c1,NCGC00111799-01,18,5.7332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C(F)(F)F)cc2)c1,NCGC00111803-01,18,5.9648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CC(=O)Nc3c(C(=O)Nc4cccc(Cl)c4)oc4ccccc34)coc2c1C,NCGC00115031-01,18,6.8827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2coc3c(C)c(C)ccc23)cc1,NCGC00115035-01,18,6.2379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2C)c1,NCGC00140087-01,18,4.9553,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)n2ncc(C(=O)Nc3ccccc3)c2N1,NCGC00105166-01,18,5.7164,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1nc2n(n1)C(c1ccc([N+](=O)[O-])cc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2,MLS000582454-01,18,3.5539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccccc2)C(c2ccc(O)cc2)n2nc(SCc3ccccc3)nc2N1,NCGC00104351-01,18,5.2036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccccc2)n2ncc(C(=O)Nc3ccccc3)c2N1,NCGC00105164-01,18,5.6798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c1OC,NCGC00105186-01,18,5.7336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1C1C(C(=O)Nc2ccccc2)=C(C)Nc2c(C(=O)Nc3ccc(F)cc3)cnn21,NCGC00105286-01,18,5.6008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CSc1nc2n(n1)C(c1ccccc1)C(C(=O)Nc1ccc(C)cc1)=C(C)N2,NCGC00105378-01,18,5.815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C=C(c3ccc(C)cc3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1,NCGC00121743-01,18,5.5084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C=C(c3cccc(OC)c3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1,NCGC00121745-01,18,5.2086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c1,NCGC00126286-01,18,5.6884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccccc2[N+](=O)[O-])n2ncc(C(=O)Nc3ccccc3)c2N1,NCGC00126288-01,18,5.588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3cccc(C)c3)cnn2C1c1ccccc1C,NCGC00126294-01,18,5.6884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1,NCGC00126296-01,18,5.7787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccc(Br)cc2)n2ncc(C(=O)Nc3cccc(C)c3)c2N1,NCGC00126300-01,18,6.7508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1,NCGC00126322-01,18,5.9424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccc(F)cc3)cnn2C1c1ccc(Cl)cc1,NCGC00126350-01,18,5.8641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccc(F)cc3)cnn2C1c1cccc([N+](=O)[O-])c1,NCGC00126352-01,18,5.1189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)c1,NCGC00126354-01,18,5.8361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cnn3c2NC(c2ccccc2)=CC3c2ccccc2)cc1,NCGC00127224-01,18,5.4998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NN(C(S)=Nc3ccccc3)C(c3ccccc3)C2)cc1,MLS000666193-01,18,5.4638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3ccccc3)=NN2C(=O)COC(=O)CNC(=O)c2ccccc2)cc1,4070524,18,3.3461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2CC(c3ccccc3)=NN2C(S)=Nc2ccccc2)o1,MLS000325293-01,18,5.3566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=S)N1N=C(c2ccc(Br)cc2)CC1c1ccc(OC)cc1,MLS000390033-01,18,4.1131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C(c3ccccc3)C2)cc1,MLS000391843-01,18,5.2483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=Nc3nc(-c4ccccc4)cn3C(c3ccc(OC)cc3)C2)cc1,MLS000391887-01,18,5.6812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NN(C(=O)CSc3cn(C)c4ccccc34)C(c3ccc(OC)cc3)C2)cc1,MLS000529803-01,18,5.6655,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN=C(S)N1N=C(c2ccc(Br)cc2)CC1c1ccc(Br)cc1,MLS000536466-01,18,5.2783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN=C(S)N1N=C(c2ccccc2)CC1c1ccc(Br)cc1,MLS000536867-01,18,4.5158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1,MLS000570929-01,18,4.7482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)C(c3cccc([N+](=O)[O-])c3)C2)cc1,MLS000571353-01,18,4.5031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1ccc(N(C)C)cc1,MLS000580618-01,18,3.4166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2CC(c3cccs3)=NN2C(S)=Nc2ccccc2)c1OC,MLS000581051-01,18,5.5339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1=NN(C(S)=Nc2ccccc2)C(c2ccco2)C1,MLS000581056-01,18,5.0568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=NN(C(S)=Nc3ccccc3)C(c3ccco3)C2)cc1,MLS000581059-01,18,5.3566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NN(C(C#N)c3ccc(OC)cc3)C(c3ccccc3)C2)cc1,MLS000586127-01,18,5.1198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(C2CC(c3cccs3)=NN2C(S)=Nc2ccccc2)cc1,MLS000588395-01,18,5.6558,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)Nc1ccc(C2=NN(C(S)=Nc3ccccc3)C(c3ccco3)C2)cc1,MLS000697272-01,18,4.8098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4s3)C(c3ccc(OC)cc3)C2)cc1,MLS000723284-01,18,5.7835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c(sc3ccccc32)c(=O)n1-c1ccccc1)NCc1ccco1,MLS000583531-01,18,4.6019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccco1,MLS000053971-01,18,4.6071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(SCC(=O)NCc3ccco3)n(CCc3ccccc3)c(=O)c2c1C,MLS000070189-01,18,4.319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccco1,MLS000086594-01,18,3.6447,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCn1c(SCC(=O)NCc2ccco2)nc2c(sc3ccccc32)c1=O,MLS000094844-01,18,3.9545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccccc1,MLS000095483-01,18,4.2747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1Br)NCc1ccco1,MLS000095844-01,18,3.2367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCc1ccco1,MLS000115858-01,18,4.3275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccco1,MLS000121652-01,18,4.2071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c(sc3ccccc32)c(=O)n1Cc1ccccc1)NCC1CCCO1,MLS000520703-01,18,4.0468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c(sc3ccccc32)c(=O)n1CCO)NCc1ccco1,MLS000520713-01,18,2.605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(SCC(N)=O)nc2c(sc3ccccc32)c1=O,MLS000520714-01,18,2.9887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccccc4)c(=O)c23)C1,MLS000526902-01,18,4.9636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1,MLS000555457-01,18,5.325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nn(-c2ccccc2)c(=S)s1)NC(=O)NCc1ccco1,MLS000565723-01,18,3.3744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3c(sc4ccccc43)c2=O)cc1,MLS000583532-01,18,4.9103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1,MLS000565743-01,18,4.4454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1,NCGC00041983-01,2,3.4192,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1,MLS000052008-01,18,2.2301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(Cl)cn1,MLS000339657-01,18,3.2819,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(CC)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1,MLS000390428-01,18,3.6022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(CC)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)s1,MLS000393774-01,18,4.441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ncc(Cl)cc1Cl,MLS000417676-01,18,3.9353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)s1,MLS000531552-01,18,3.0103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1,MLS000536123-01,18,4.7051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)s1,MLS000548720-01,18,3.0998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)N1CCc2ccccc21)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1,MLS000707557-01,18,3.5742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)N1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1,MLS000707598-01,18,3.5742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1,MLS000521711-01,18,2.2206,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,NCGC00049704-01,2,2.6302,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,MLS000090573-01,18,2.6302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,MLS000090576-01,18,2.6358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,MLS000090579-01,18,2.8173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1Br,NCGC00107833-01,18,3.4018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1,NCGC00107861-01,18,3.0933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccco1)Nc1nc(-c2ccccc2)cs1,MLS000394402-01,18,4.055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1,MLS000553377-01,18,3.6654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccccc2)cs1,MLS000575102-01,18,4.1907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=NNc1nc(-c2ccccc2)cs1)c1ccco1,MLS000576044-01,18,3.8491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NN=Cc3ccco3)n2)cc1,MLS000576047-01,18,4.1575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=S)NC(=O)/C=C/c3ccco3)n2)cc1,MLS000576769-01,18,4.2379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccc(F)cc2)cs1,MLS000578279-01,18,4.3298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=S)NC(=O)c3ccco3)n2)cc1,MLS000680614-01,18,3.8383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1,MLS000680640-01,18,4.5932,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1C,MLS000722290-01,18,5.1403,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1,MLS000722310-01,18,4.3952,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1,MLS000090708-01,18,2.4776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1,NCGC00085335-01,2,1.9705,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1,MLS000074848-01,18,1.8,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3sccc32)c1,MLS000087534-01,18,3.1893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccco1,MLS000090646-01,18,2.4694,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc2[nH]c(=S)n(CCCCC(=O)NCc3ccco3)c(=O)c2cc1OCC,MLS000095458-01,18,3.9362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3sccc32)c(C)c1,MLS000520060-01,18,3.8879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(=N)c(C(=O)NC)cc2c(=O)n3cccc(C)c3nc21,660105,18,0.8166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N,3468808,18,2.4103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=N,750944,18,1.3776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)c(=N)n(Cc4ccncc4)c3nc12,664432,18,2.0186,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N,663729,18,2.4103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C(C)C)c1=N,644537,18,1.3776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccn2c(=O)c3cc(C#N)c(=N)n(Cc4ccncc4)c3nc12,MLS000036475-01,18,1.7521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,MLS000102816-01,18,2.0245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,NCGC00121121-01,18,2.4757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccccc4)cc3)[nH]c2c1,2233956,18,5.2691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[nH]c2c1,2523370,18,3.6494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(NC(=O)c4ccco4)cc3)[nH]c2c1,891770,18,4.3836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1,MLS000102997-01,18,3.4328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(F)cc1,MLS000538400-01,18,4.586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)nc3)[nH]c2cc1C,MLS000548751-01,18,4.757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)Nc1ccc(S(=O)(=O)NC2CC2)cc1,MLS000548753-01,18,3.7964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(-c3ccc(SCC(=O)Nc4nnc(C)s4)nc3)nc2c1,MLS000560324-01,18,3.824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1,MLS000580064-01,18,5.2691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(-c3ccc(NC(=O)Cc4cccs4)cc3)nc2c1,MLS000582072-01,18,4.781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(F)cc1,NCGC00102277-01,18,4.586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccccc3)[nH]2)c1,NCGC00107690-01,18,5.5541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)c1,NCGC00138433-01,18,5.8869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1,NCGC00142642-01,18,3.8417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,NCGC00017344-02,2,2.2824,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c(O)c(-c2ccc(O)cc2)oc2ccc(O)cc12,NCGC00017189-01,2,2.5768,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,NCGC00095624-01,18,2.291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12,NCGC00142439-01,18,2.5768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C(=O)Nc2ccc(Cl)cc2)cc1,NCGC00138388-01,18,6.519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1sc(C(=O)Nc2cccc(Cl)c2)c(N)c1C(N)=O,MLS000391228-01,18,4.3869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2sc(C(=O)Nc3cccc(Cl)c3)c(N)c2C(=O)Nc2ccccc2OC)cc1,MLS000394553-01,18,6.2491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccccc1,MLS000543615-01,18,5.3844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)c2sc(Nc3ccc(F)cc3)c(C#N)c2N)cc1,NCGC00102975-01,18,4.6241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1Nc1sc(C(=O)c2ccccc2)c(N)c1S(=O)(=O)c1ccccc1,NCGC00114491-01,18,6.0995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2S(=O)(=O)c2ccc(C)cc2)cc1,NCGC00132201-01,18,5.8936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2c(Nc3ccccc3C)sc(C(=O)c3ccccc3)c2N)cc1,NCGC00138316-01,18,5.5519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2C(=O)NCc2ccc(C)cc2)c1,NCGC00138320-01,18,6.2053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2C(=O)NCc2ccc(C)cc2)c1,NCGC00138322-01,18,5.691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2C(=O)Nc2ccc(F)cc2)ccc1Cl,NCGC00138324-01,18,6.7972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2c(Nc3ccccc3C)sc(C(=O)c3ccc(F)cc3)c2N)cc1,NCGC00138344-01,18,5.9908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1Nc1sc(C(=O)c2ccccc2)c(N)c1C(=O)Nc1ccc(F)cc1,NCGC00138350-01,18,6.3131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1Nc1sc(C(=O)c2ccccc2)c(N)c1C(=O)Nc1ccc(F)cc1,NCGC00138354-01,18,6.095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1Nc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C(=O)NCCc1ccccc1,NCGC00138356-01,18,6.3295,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1Nc1sc(C(=O)c2ccccc2)c(N)c1C(=O)Nc1ccccc1,NCGC00138376-01,18,5.9559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1Nc1sc(C(=O)c2ccccc2)c(N)c1C(=O)Nc1ccccc1,NCGC00138382-01,18,6.2192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)c2c(Nc3ccc(OC)cc3OC)sc(C(=O)c3ccc(Cl)cc3)c2N)cc1,NCGC00138384-01,18,6.6265,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(N2C(=O)CSC23C(=O)N(Cc2c(F)cccc2Cl)c2ccccc23)c1,NCGC00126365-01,18,5.5755,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2C(=O)CSC23C(=O)N(Cc2ccc(C)cc2)c2ccccc23)cc1Cl,NCGC00126124-01,18,5.1366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2C(=O)C3(SCC(=O)N3c3ccc(C)c(C)c3)c3ccccc32)cc1,NCGC00126142-01,18,5.0915,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2C(=O)CSC23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1Cl,NCGC00126150-01,18,4.9673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2C(=O)CSC23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1Cl,NCGC00126180-01,18,4.9673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CN2C(=O)C3(SCC(=O)N3c3ccc(C)c(Cl)c3)c3ccccc32)c1,NCGC00126210-01,18,5.1366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CN2C(=O)C3(SCC(=O)N3c3ccc(C(C)C)cc3)c3ccccc32)c1,NCGC00126214-01,18,5.2982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2C(=O)CSC23C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc23)c1,NCGC00126245-01,18,4.2442,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2C(=O)CSC23C(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc23)c1,NCGC00126249-01,18,4.5665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)CN2C(=O)C3(SCC(=O)N3c3ccc(F)cc3)c3ccccc32)cc1,NCGC00126307-01,18,4.8672,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)CSC23C(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc23)cc1C,NCGC00126343-01,18,5.3449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)CSC23C(=O)N(CC(=O)Nc2ccccc2F)c2ccccc23)cc1C,NCGC00126345-01,18,4.3606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N2C(=O)CSC23C(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc23)c1,NCGC00126405-01,18,4.2667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)CN2C(=O)C3(SCC(=O)N3c3ccc(F)c(F)c3)c3ccccc32)cc1,NCGC00126429-01,18,4.4453,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)C2(SCC(=O)N2c2ccc(F)c(F)c2)c2ccccc21)Nc1cccc(Cl)c1,NCGC00126435-01,18,4.5363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CN2C(=O)C3(SCC(=O)N3c3ccc(F)c(F)c3)c3ccccc32)c(C)c1,NCGC00126437-01,18,4.4997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)CN2C(=O)C3(SCC(=O)N3c3cc(C)cc(C)c3)c3ccccc32)c1,NCGC00126463-01,18,4.2301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)CCSC23C(=O)N(Cc2ccccc2)c2ccccc23)cc1F,NCGC00127105-01,18,5.0038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2cc(Nc3ccc(OC)cc3OC)nc3ccccc23)cc1,NCGC00108172-01,18,4.9342,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2ncccc2C(=O)NCc2ccccc2)c1,MLS000051058-01,18,3.7638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2ccccc2SC)cc1,MLS000066177-01,18,3.3471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)c(OC)c1,MLS000336475-01,18,5.1191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1,NCGC00108144-01,18,4.9785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1,NCGC00108162-01,18,4.917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc12)c1cccc(C)c1,NCGC00108164-01,18,5.9418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CCCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc12)c1cccc(C)c1,NCGC00108194-01,18,5.9504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1Nc1cc(C(=O)NCc2ccc(C)cc2)c2ccccc2n1,NCGC00108202-01,18,5.7792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1Nc1cc(C(=O)NCCc2ccccc2)c2ccccc2n1,NCGC00108208-01,18,5.5133,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1cc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc2n1,NCGC00108230-01,18,5.9127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1cc(C(=O)NCc2cccs2)c2ccccc2n1,NCGC00108238-01,18,5.2783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2cc(Nc3cc(C)cc(C)c3)nc3ccccc23)cc1OC,NCGC00108291-01,18,5.5849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1cc(C(=O)NCc2cccs2)c2ccccc2n1,NCGC00108333-01,18,4.9785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1cc(C(=O)NCCCN(C)c2ccccc2)c2ccccc2n1,NCGC00140329-01,18,5.2433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)c2cc(Nc3ccc(C)c(C)c3)nc3ccccc23)cc1,NCGC00140469-01,18,5.8762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1,NCGC00100788-01,18,5.3114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccco1,2357360,18,4.0295,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)OCn3nnc4ccccc4c3=O)c3ccccc3n2)cc1,MLS000335398-01,18,4.1296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1,MLS000531195-01,18,4.11,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12,MLS000536024-01,18,5.4321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc2n1,MLS000565639-01,18,2.9138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1,MLS000585992-01,18,5.2461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2sc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)nc12,MLS000724593-01,18,5.6383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2nc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1,MLS000724604-01,18,5.9467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(F)cc1,NCGC00100457-01,18,5.1421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(Cl)cc1,NCGC00100786-01,18,5.6564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)c1,NCGC00100792-01,18,5.0116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)c1,MLS000722339-01,18,4.4787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)Nc1nnc(SCC(=O)N2c3ccccc3CC2C)s1,3220444,18,3.2025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1nnc(SCC(=O)N2c3ccccc3CC2C)s1,3220431,18,2.9565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c2nc(SCC(=O)N3CCCc4ccccc43)c(C#N)cc12,MLS000552390-01,18,4.7948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)cc1,MLS000722329-01,18,4.1703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1)c1ccc2ccccc2c1,MLS000722371-01,18,5.0151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1)c1cccc(Cl)c1,NCGC00118556-01,18,5.8834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1)c1cccc(F)c1,NCGC00118574-01,18,5.3691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(SCC(=O)N3CCCc4ccccc43)sc2c1)c1ccccc1,NCGC00118801-01,18,5.6201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(SCC(=O)N3CCCc4ccccc43)sc2c1)c1ccc(F)cc1,NCGC00118803-01,18,5.7592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(SCC(=O)N3CCCc4ccccc43)sc2c1)c1ccccc1F,NCGC00118809-01,18,5.7592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1,MLS000697223-01,18,5.5863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccc3nc(N)sc3c2)cc1,NCGC00031670-01,2,2.9877,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1,NCGC00053757-01,2,4.172,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1,MLS000096745-01,18,4.172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1,MLS000418648-01,18,5.3107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1,MLS000418668-01,18,5.1802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2nnc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)o2)cc1,MLS000547790-01,18,5.1381,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1,MLS000572403-01,18,5.0716,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1Cl,MLS000572434-01,18,6.3828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1,MLS000573432-01,18,5.1861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccc(F)cc1,MLS000574138-01,18,5.417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1,MLS000579534-01,18,4.4189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1,MLS000585518-01,18,5.2779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1,NCGC00134035-01,18,4.1304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1,MLS000595021-01,18,3.4284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)CC(=O)c1ccc(-c2ccccc2)cc1,MLS000106406-01,18,3.0979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(Br)cc1,MLS000391200-01,18,4.5893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1,MLS000391638-01,18,3.6134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(Cl)cc1,MLS000392780-01,18,4.4802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(NC(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1,MLS000526775-01,18,3.0554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1,MLS000532140-01,18,3.5452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/NNC(=O)c1ccccc1)c1ccc(Br)cc1,MLS000532545-01,18,3.0801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1,MLS000544108-01,18,3.2022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)cc1,MLS000558723-01,18,5.9127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1,MLS000558735-01,18,3.7368,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1,MLS000576948-01,18,3.6949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1,MLS000579804-01,18,3.502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(=O)c1ccccc1)c1ccccc1,NCGC00095298-01,18,3.1423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2sc(NC(=O)CSc3nc4ccccc4o3)nc12,MLS000594186-01,18,4.4767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nnc(NC(=O)CSc2nc3ccccc3o2)s1,NCGC00054571-01,2,3.6882,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3o2)n1,MLS000088859-01,18,2.3658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2sc(NC(=O)c3ccc(Cl)s3)nc12,MLS000100579-01,18,4.5719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)CSc3ncnc4c3oc3ccccc34)sc2c1,MLS000529879-01,18,5.0249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)c(C)o1,MLS000566171-01,18,4.0669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2sc(NC(=O)C3c4ccccc4Oc4ccccc43)nc12,MLS000581909-01,18,5.481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc12,MLS000581911-01,18,2.8394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)COc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1,MLS000580453-01,18,4.1174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)Nc2cccc(C(C)=NNC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1,MLS000541143-01,18,3.9386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1,MLS000544221-01,18,3.9386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1,MLS000545862-01,18,4.1034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1,MLS000564546-01,18,3.8868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)c1,MLS000578929-01,18,3.8628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3Cl)c2)cc1,MLS000579240-01,18,5.3014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1,MLS000579462-01,18,5.9462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1,MLS000580445-01,18,4.5059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(F)cc1,MLS000580471-01,18,4.2479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Br)cc1,MLS000580499-01,18,4.8713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1,MLS000586669-01,18,1.7926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccc(C)cc1,MLS000545048-01,18,3.4434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(N)=S)cc1,9593980,18,1.9298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccc(C)cc1,6872645,18,2.3899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1,MLS000324668-01,18,3.9538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1OS(=O)(=O)c1ccc(C)cc1,MLS000325457-01,18,3.4434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1,MLS000540675-01,18,3.4738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Oc2cc(C=NNS(=O)(=O)c3ccc(C)cc3)ccc2OC)cc1,MLS000540682-01,18,3.5438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1,MLS000545037-01,18,3.5251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)cc1OC(=O)c1ccccc1,MLS000546140-01,18,3.5352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1OC(=O)c1ccc(C)cc1,MLS000546142-01,18,3.5352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)cc1OC(=O)c1ccc(C)cc1,MLS000546145-01,18,3.8436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)cc1COc1ccccc1[N+](=O)[O-],MLS000550025-01,18,3.8032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21,MLS000559417-01,18,2.8504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NNC(=O)c1cccc([N+](=O)[O-])c1)=C\c1ccccc1,MLS000576596-01,18,3.4139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1,MLS000584403-01,18,3.7662,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],MLS000584405-01,18,3.9967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cn1,MLS000587235-01,18,4.7078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc2[nH]1,MLS000089474-01,18,3.135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1,NCGC00052129-01,2,2.4636,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1,MLS000089497-01,18,3.6082,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc2c(c1)OCO2,MLS000101437-01,18,3.3256,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1,MLS000417584-01,18,3.6339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)c3cccs3)ccc2[nH]1,MLS000529906-01,18,3.4678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH]1,MLS000724605-01,18,3.3145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(C)c1N=C(S)NCc1ccc2[nH]c(C)cc2c1,MLS000724606-01,18,5.0542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1,MLS000724615-01,18,3.6229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(CC)c1N=C(S)NCc1ccc2[nH]c(C)cc2c1,MLS000724616-01,18,5.3082,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1,MLS000087057-01,18,5.1175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1,NCGC00046991-01,2,4.2862,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)c2cc(-c3ccco3)on2)nn1Cc1ccc(Cl)cc1,NCGC00047087-01,2,4.3935,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1,MLS000065818-01,18,2.7624,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1,MLS000087114-01,18,4.8091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)c1,MLS000087189-01,18,4.8177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)c2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1,MLS000087278-01,18,4.862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1noc2c1CCc1ccccc1-2,MLS000522394-01,18,5.2075,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1,MLS000544606-01,18,7.5861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)nn1Cc1ccc(Cl)cc1,NCGC00105715-01,18,4.9396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)nn(Cc4ccc(Cl)c(Cl)c4)c3C)noc1-2,NCGC00105829-01,18,5.8695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccs1,MLS000069084-01,18,3.7343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1cccs1,MLS000063928-01,18,4.3659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(N2CCCC2)c1)c1cccs1,MLS000066410-01,18,3.6006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)o1,MLS000088475-01,18,4.0283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cccs1,MLS000519054-01,18,5.7909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccs1,MLS000536846-01,18,5.1959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2ccc(NC(=O)c3cccs3)cc2c(=O)n1Cc1ccc(Cl)cc1,MLS000551083-01,18,4.7204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1,MLS000678891-01,18,4.835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc2ccccc2o1,NCGC00098978-01,18,4.419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-n2nc3ccc(NC(=O)Cc4ccccc4)cc3n2)cc1,NCGC00099105-01,18,4.0004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCCN4CCOCC4)C3)ccc21,NCGC00085279-01,2,-0.0194,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1,NCGC00084847-01,2,0.7488,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)N4CCn5c4nc4ccccc45)C3)ccc21,NCGC00085247-01,2,1.9287,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)NCC4COc5ccccc5O4)CC3)ccc21,NCGC00085311-01,2,1.4884,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1ccc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccccc4F)C3)ccc21,NCGC00132077-01,18,3.0345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1,NCGC00085181-01,2,5.0674,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)on2)c1,NCGC00042507-01,2,3.653,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)on2)c1,MLS000055448-01,18,3.653,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)c1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)cc1,MLS000566008-01,18,5.5072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1,MLS000582187-01,18,5.5482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,NCGC00085081-01,2,1.6238,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)NCc1ccccc1,NCGC00085049-01,2,1.2929,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1,NCGC00085051-01,2,1.6152,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1,NCGC00085053-01,2,0.989,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCOCC1,NCGC00085055-01,2,-0.1647,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1NC(=O)NCCN1C(=O)C2C3C=CC(C3)C2C1=O,NCGC00085057-01,2,1.9236,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)c1,NCGC00085059-01,2,1.9236,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,NCGC00085061-01,2,1.9236,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1NC(=O)NCCN1C(=O)C2C3C=CC(C3)C2C1=O,NCGC00085063-01,2,1.6238,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1O,NCGC00085083-01,2,1.3208,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(Br)cc1,NCGC00085085-01,2,2.3777,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccnc1,NCGC00085087-01,2,1.0102,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccn1,NCGC00085089-01,2,1.0102,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCc1nnc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)s1,NCGC00085091-01,2,1.4192,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1c(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,NCGC00085093-01,2,1.413,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1,NCGC00085517-01,2,3.2651,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)NCCCN2CCCC2=O)cc1,NCGC00085523-01,2,1.8292,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(F)cc1,MLS000047517-01,18,1.9614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1,NCGC00037609-01,2,3.3588,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1,MLS000053294-01,18,5.304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1,MLS000558242-01,18,5.5183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1F,NCGC00139607-01,18,4.4418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCc3ccccc3C2)c1,NCGC00139283-01,18,4.8438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1Cl)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F,NCGC00139304-01,18,5.5263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCc3ccccc3C2)c1,NCGC00139307-01,18,4.1334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1,NCGC00139339-01,18,4.3874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)c(C(=O)Nc3c(C)cccc3C)c2)cc1,NCGC00139354-01,18,6.4017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1F,NCGC00139475-01,18,4.2725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1F,NCGC00139532-01,18,4.142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccc(Cl)cc4Cl)c3)CC2)c1,NCGC00139537-01,18,5.5125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccc(Cl)cc1,NCGC00129040-01,18,4.0614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(O)Cc1nsc(NC(=O)c2cccs2)n1,NCGC00085123-01,2,1.7752,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(Cl)cc1-n1nnc(-c2nsc(NC(=O)c3ccccc3Cl)n2)c1C,NCGC00105209-01,18,4.6619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4Cl)n3)c2C)cc1,NCGC00105213-01,18,4.5623,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C(C)C)cc4)c3C)ns2)cc1,NCGC00128721-01,18,4.4785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)c(C)c4)n3)c2C)cc1,NCGC00128723-01,18,4.2718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)c(C)c4)n3)c2C)cc1Cl,NCGC00128725-01,18,4.6254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(Cl)c4C)c3C)ns2)cc1C,NCGC00128727-01,18,4.9252,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1ccc(C(C)C)cc1,NCGC00129008-01,18,5.1233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(Cl)c4)n3)c2C)cc1C,NCGC00129012-01,18,4.6168,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3C)ns2)cc1,NCGC00129014-01,18,4.6737,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)cc4)n3)c2C)c1,NCGC00129016-01,18,4.2173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(C(=O)Nc2nc(-c3nnn(-c4ccc(F)c(Cl)c4)c3C)ns2)c1,NCGC00129038-01,18,4.1562,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccc(F)cc1,NCGC00129042-01,18,3.5471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccc(Br)cc1,NCGC00129044-01,18,4.1705,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4)n3)c2C)cc1,NCGC00141368-01,18,3.6549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)c(OC)c1,NCGC00128964-01,18,5.715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)c(C)c(C)n3C)c1,NCGC00128798-01,18,3.7423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc12,NCGC00129000-01,18,5.547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2oc(/C=C/c3cccc(OC)c3)nc2C#N)cc1,NCGC00116719-01,18,4.8676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N,6200398,18,2.7842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C/c2nc(C#N)c(NCCN(C)C)o2)c1,6200344,18,2.6988,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C/c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)c1,6200341,18,2.427,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1oc(/C=C/c2ccccc2)nc1C#N,5802219,18,2.7584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C/c2nc(C#N)c(N3CCN(C)CC3)o2)c1,5742241,18,2.4771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2oc(-c3cccs3)nc2C#N)cc1,MLS000088846-01,18,4.4171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2oc(-c3cccc(Cl)c3)nc2C#N)cc1,MLS000537971-01,18,5.009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1,MLS000556438-01,18,5.009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/c2nc(C#N)c(NCCc3ccccc3)o2)cc1OC,NCGC00116406-01,18,4.3885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCCNc1oc(/C=C/c2ccc(OC)c(OC)c2)nc1C#N,NCGC00116434-01,18,3.8777,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(/C=C/c2nc(C#N)c(NCCCN(C)C)o2)cc1,NCGC00116534-01,18,3.479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2oc(/C=C/c3ccccc3OC)nc2C#N)cc1,NCGC00116659-01,18,4.4775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)cc1,NCGC00117964-01,18,5.1375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2oc(-c3ccc(COc4ccc(OC)cc4)o3)nc2C#N)cc1,NCGC00118114-01,18,5.5362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)cc1,NCGC00118183-01,18,5.4459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)cc1,NCGC00118185-01,18,5.836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1Cn1nnc(C(=O)Nc2cccc(SC)c2)c1N,NCGC00109738-01,18,3.6539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,NCGC00074283-01,18,7.7006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C(=O)Nc1ccc2ccccc2c1)C1CC1(C)C(NC(=O)OCc1ccccc1)c1ccccc1,NCGC00074183-01,2,7.1083,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,MLS000563783-01,18,6.6744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1,MLS000563784-01,18,6.1604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,MLS000563794-01,18,7.7006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,MLS000563825-01,18,7.1083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,NCGC00074183-01,18,7.1083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,NCGC00074190-01,18,7.1083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2ccccc2c1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,NCGC00074214-01,18,6.6744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,NCGC00074242-01,18,6.6744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1,NCGC00074279-01,18,6.1604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@]1(C)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1,NCGC00074280-01,18,6.1604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,NCGC00074284-01,18,7.8737,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)c1ccccc1)c1ccccc1,NCGC00074288-01,18,6.6119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@]1(C)[C@@H](NC(=O)c1ccccc1)c1ccccc1,NCGC00074289-01,18,6.6119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@]2(C)C[C@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)no1,NCGC00074296-01,18,5.9083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@]1(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccccc1,NCGC00074305-01,18,6.6603,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)CSc2nc(O)c3oc4ccccc4c3n2)c1,MLS000697289-01,18,3.821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)CSc2nc(O)c3ccccc3n2)cc1,NCGC00057102-01,2,3.9124,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1oc1ccccc12,NCGC00071192-01,2,4.7688,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)c1ccc(NC(=O)CSc2nc(O)c3ccccc3n2)cc1,MLS000049075-01,18,3.9124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(=O)CSc2nc(O)c3ccccc3n2)cc1,MLS000531278-01,18,2.8528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1,MLS000555641-01,18,5.565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(OC)cc2)cc1,MLS000577098-01,18,3.1705,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1,MLS000333895-01,18,4.2622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1,MLS000534221-01,18,4.3932,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1,MLS000575987-01,18,2.9198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1,MLS000577121-01,18,4.2339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1,MLS000578331-01,18,3.0701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1,MLS000578377-01,18,3.8889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)c1,MLS000579260-01,18,3.4308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1,MLS000581010-01,18,2.9284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(OC(C)=O)cc4)cc3)CCCC2)cc1,MLS000581784-01,18,5.3233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(OC)cc2)cc1,MLS000699720-01,18,3.1977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1,NCGC00139291-01,18,4.5939,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1)c1cc2ccccc2o1,MLS000573856-01,18,4.8734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,MLS000063444-01,18,4.2796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2cccs2)c1,MLS000572806-01,18,4.4356,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccs1,MLS000572839-01,18,5.434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccs1,MLS000579581-01,18,3.4859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(C)c1,MLS000580461-01,18,5.2036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1,MLS000590720-01,18,4.5615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=S)NC(=O)CC(C)C)ccc1NC(=O)c1cc2ccccc2o1,MLS000680948-01,18,4.5528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1,MLS000681016-01,18,4.1358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc21,MLS000571834-01,18,5.2833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21,MLS000539764-01,18,4.9236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-],MLS000577605-01,18,4.7345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1,MLS000556672-01,18,3.0109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1,NCGC00026764-01,2,2.8327,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1,NCGC00029988-01,2,3.3012,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1,MLS000068708-01,18,2.3929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1,MLS000072290-01,18,3.0769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1,MLS000072341-01,18,2.8327,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NCc3ccco3)n2)cc1,MLS000076290-01,18,2.5104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1,MLS000120907-01,18,3.6913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2,MLS000534279-01,18,1.7075,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1,MLS000547673-01,18,2.7968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccccc2)n1,MLS000547674-01,18,2.7882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)n2)c1,MLS000549780-01,18,3.3107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)n1,MLS000549781-01,18,3.3107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cc3ccccc3oc2=O)n1,MLS000555390-01,18,3.3461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(N)nc(SCC(=O)N2CCc3ccccc32)n1,MLS000527167-01,18,1.3224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(CNc2ccccc2)o1)N1CCc2ccccc21,NCGC00031243-01,2,3.3631,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCc2ccccc21,MLS000051065-01,18,3.1332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)N1CCc2ccccc21,MLS000051452-01,18,3.5336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)N1CCc2ccccc21,MLS000077080-01,18,2.1149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccc(Cl)s2)o1)N1CCc2ccccc21,MLS000091189-01,18,4.1329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(-n2c(SCC(=O)N3CCc4ccccc43)nc3c(c2=O)SCC3)c1,MLS000100779-01,18,3.5793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCc2ccccc21,MLS000550742-01,18,4.887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCc2ccccc21,MLS000555312-01,18,4.3063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncc(-c2ccccc2)n1C1CCCC1)N1CCc2ccccc21,MLS000558285-01,18,5.3466,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(-c3ccc(SCC(=O)N4CCc5ccccc54)nc3)nc2c1,MLS000560325-01,18,4.6147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1ccc(C(=O)CSc2nc3cc(C)ccc3[nH]2)cc1,MLS000336261-01,18,4.1948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(C)n1C,MLS000057124-01,18,4.1466,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c(SCC(=O)Nc3ccc4c(c3)CCC4)nc2c1,MLS000334697-01,18,3.791,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1,MLS000335245-01,18,3.8864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(SCC(=O)c3c(C)[nH]c4ccccc34)nc2c1,MLS000374798-01,18,4.636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(SCC(=O)c3ccc(Cl)s3)nc2c1,MLS000564847-01,18,4.5612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1,MLS000577583-01,18,3.4547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2ccccc2c1,MLS000577601-01,18,4.5993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(SCC(=O)c3ccc4c(c3)OCO4)nc2c1,MLS000595368-01,18,3.575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1ccc2c(c1)OCO2,MLS000595369-01,18,3.92,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cccc(NC(=O)CSc2nc3cc4ccccc4cc3[nH]2)c1,NCGC00102285-01,18,4.6236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1,MLS000325200-01,18,4.5727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c2ncn(CC(=O)Nc3ccc4c5c(cccc35)CC4)c2n(C)c1=O,1017560,18,1.3242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)Nc2cc(C)c(C)cc2O)c1,MLS000029260-01,18,3.335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(OCC(=O)Nc2nonc2NC(=O)COc2cc(C)cc(C)c2)c1,MLS000097168-01,18,3.3383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)NC(=S)Nc1ccc2c3c(cccc13)CC2,MLS000534314-01,18,3.8304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCC(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1,MLS000555541-01,18,3.839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1,MLS000555542-01,18,4.1388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1,MLS000572890-01,18,4.8524,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-],MLS000573142-01,18,4.4073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c3c(cccc13)CC2)c1cccc([N+](=O)[O-])c1,MLS000573143-01,18,4.0989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1,MLS000574109-01,18,4.0824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1,MLS000574168-01,18,4.0738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc2ccccc2c1)Nc1ccc2c3c(cccc13)CC2,MLS000574644-01,18,5.1091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1C,MLS000574654-01,18,4.5727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1,MLS000574736-01,18,4.5727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCC(=O)Nc3ccc4c5c(cccc35)CC4)nc(=O)c(C)c2O)cc1,MLS000681219-01,18,4.5375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1,MLS000686539-01,18,4.6795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,MLS000071809-01,18,2.4141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)n1,NCGC00069956-01,2,2.9722,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)C1,NCGC00082004-01,2,2.2924,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C,MLS000029235-01,18,2.8958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(Cl)=C/Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C,MLS000030845-01,18,2.314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,MLS000035808-01,18,2.9483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccco1)n2CCCc1ccccc1,MLS000037487-01,18,2.2612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)[nH]c(=O)c2c1nc(NCCc1ccccc1)n2CC(O)COc1ccccc1,MLS000037518-01,18,1.5178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCn1c(SCCC)nc2c1c(=O)[nH]c(=O)n2C,MLS000070706-01,18,2.5057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(Cl)=C/Cn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,MLS000072464-01,18,3.5116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)n1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,MLS000077418-01,18,2.9499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(O)Cn2c(NCCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1,MLS000083826-01,18,1.8262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)n1,MLS000083988-01,18,2.9722,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1,MLS000100701-01,18,2.0581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1,MLS000100702-01,18,2.4482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,MLS000100715-01,18,2.9483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)cc1,MLS000103118-01,18,3.0701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1,3931605,18,2.9739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1ccccc1Cl)Nc1ncc(C(F)(F)F)cc1Cl,2427817,18,3.3189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(SCCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1,2377635,18,4.3609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1,2377339,18,2.157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)Nc1ncc(C(F)(F)F)cc1Cl,MLS000374822-01,18,6.4179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl,MLS000374954-01,18,6.0729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)c3ccccc3n2)cc1,MLS000392759-01,18,6.0729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ncc(C(F)(F)F)cc1Cl,MLS000564176-01,18,5.8557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1,MLS000583748-01,18,3.3823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc2c(c1)OCCO2,4655416,18,1.5086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1,5237384,18,1.6223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1F)OCC(=O)N1CCCc2ccccc21,5203969,18,2.0781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1C,5168793,18,2.2305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc2c(c1)OCCO2,4313265,18,2.2671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)c1ccc2c(c1)OCCO2,3942056,18,2.9205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc2c(c1)OCCO2,2997590,18,2.0124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C(=O)COC(=O)CNC(=O)c2ccccc2F)C(C)(C)c2ccccc21,2550125,18,2.9793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1ccccc1F)NCCC1=CCCCC1,2391995,18,2.1054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1F)OCC(=O)N1CCCCC1,2357590,18,1.1112,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc2c(c1)OCO2,MLS000054395-01,18,3.8348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2,MLS000334895-01,18,2.3941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccccc1F,MLS000389609-01,18,2.5101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCO2,MLS000529299-01,18,4.6185,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccc2c(c1)OCO2,MLS000567626-01,18,3.4159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1Cl,MLS000582707-01,18,3.156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c(C)c1,16012624,18,5.3612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)ccc1Cl,16012656,18,5.3161,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)ccc1Cl,16012642,18,5.7062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N2CCc3cc(CNC(=O)c4ccc(Br)cc4)ccc32)cc1,NCGC00137795-01,18,4.8904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc(N3CCc4ccccc43)c([N+](=O)[O-])c2)cc1,MLS000583882-01,18,4.5274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1,NCGC00134459-01,18,4.6655,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4cccs4)ccc32)cc1,NCGC00134469-01,18,3.7379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(Cl)s4)ccc32)cc1,NCGC00134471-01,18,4.3913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1Cl,NCGC00134473-01,18,4.3384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1,NCGC00134493-01,18,4.2388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1,NCGC00134495-01,18,4.0751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4cccs4)ccc32)c1,NCGC00134499-01,18,3.7379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(Cl)s4)ccc32)c1,NCGC00134503-01,18,4.3913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc(C(=O)NCc3ccc4c(c3)CCN4C(=O)c3ccccc3)[nH]c2c1,NCGC00137615-01,18,4.3094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)c1cc2ccccc2[nH]1,NCGC00137639-01,18,4.3008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1)c1cc2ccccc2[nH]1,NCGC00137717-01,18,4.4399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2[nH]c(C(=O)NCc3ccc4c(c3)CCN4C(=O)c3ccc(F)cc3)cc12,NCGC00137741-01,18,4.4485,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)cc1,NCGC00137779-01,18,4.9741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)c1nsc2ccccc12,NCGC00134478-01,18,4.6501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Br)o1,MLS000052424-01,18,4.2568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cc2ccccc2o1,MLS000537987-01,18,5.3009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2ncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc23)cc1Cl,NCGC00103791-01,18,6.0417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)c4nsc5ccccc45)cc3)CC2C)c1,NCGC00134476-01,18,5.2079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1)c1nsc2ccccc12,NCGC00134484-01,18,4.6501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)ccc21,NCGC00132021-01,18,3.5174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1,NCGC00111884-01,18,2.904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCc1ccc(Cl)cc1,NCGC00125807-01,18,3.8282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCc1ccccc1Cl,NCGC00125843-01,18,3.8282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)ccc21,NCGC00131935-01,18,4.2431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4cc(Cl)ccc4C)CC3)ccc21,NCGC00131943-01,18,4.5515,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc3[nH]ccc3c2)CC1,NCGC00131955-01,18,3.5809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4ccc(C)c(F)c4)CC3)ccc21,NCGC00131963-01,18,4.0372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4cccc(SC)c4)CC3)ccc21,NCGC00131971-01,18,4.3116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4Cl)CC3)ccc21,NCGC00132047-01,18,4.0742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1,NCGC00132079-01,18,3.2941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(C)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc12,NCGC00128744-01,18,4.421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(C)c2ccc(C(=O)Nc3cccc4ccccc34)cc12,MLS000543752-01,18,5.2006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CCNC(=O)c1ccc2c(c1)c(C)c(C)n2C,NCGC00128800-01,18,4.0761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CCNC(=O)c1ccc2c(c1)c(C)c(C)n2C,NCGC00128802-01,18,3.7762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCn2c(nc3cc(C(=O)NCCc4ccc(Cl)cc4)ccc32)C1,NCGC00133530-01,18,4.2445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)cc1,NCGC00119490-01,18,4.8279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)o2)cc1,7533411,18,3.7378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(SCC(=O)NCc3ccc(Cl)cc3)o2)cc1,7533388,18,4.1972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Cl)o2)cc1,5023519,18,4.8279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)o2)cc1,3955100,18,4.1831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1C,MLS000036049-01,18,5.4918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c1,MLS000071888-01,18,4.2095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1cccc2ccccc12,MLS000089172-01,18,5.3831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(NC(=O)CCCOc3cccc(C)c3)o2)cc1,MLS000098703-01,18,4.2414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1,MLS000114727-01,18,4.3949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1,NCGC00119492-01,18,4.8849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(SCC(=O)Nc3ccccc3Cl)n2)cc1,NCGC00138427-01,18,6.3308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ccccc43)cc2)c1,NCGC00113717-01,18,5.0692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)c1ccc(NC(=O)N2CC3CCCN3c3ccccc32)cc1,NCGC00113623-01,18,4.6375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2ccc(NC(=O)N3CC4CCCN4c4ccccc43)cc2)cc1,NCGC00113627-01,18,4.6461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CN(C(=O)Nc2ccc(C(=O)NCc3cccc(F)c3)cc2)c2ccccc2S1,NCGC00113657-01,18,5.2884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CNC(=O)c2ccc(NC(=O)N3CC(C)Sc4ccccc43)cc2)cc1,NCGC00113691-01,18,5.7117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CCNC(=O)c1ccc(NC(=O)N2CC(C)Sc3ccccc32)cc1,NCGC00113711-01,18,5.5002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)c1ccc(NC(=O)N2CC(C)Sc3ccccc32)cc1,NCGC00113713-01,18,5.548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1ccc(CNC(=O)c2ccc(NC(=O)N3CC(C)Sc4ccccc43)cc2)cc1,NCGC00113715-01,18,5.9365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1,NCGC00126035-01,18,5.3347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1,NCGC00126063-01,18,4.1644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1,NCGC00126097-01,18,5.3347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)N2CC3CCCN3c3ccccc32)cc1,NCGC00128754-01,18,5.2909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3cc4c(cc3c2=O)OCO4)cc1,NCGC00111117-01,18,4.652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1,NCGC00086433-01,2,3.1028,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)cc1,NCGC00110276-01,18,4.6715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc(OC)c(OC)cc32)cc1,NCGC00111010-01,18,4.9039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3cc4c(cc3c2=O)OCCO4)cc1,NCGC00111107-01,18,4.1802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)c2cn(CC(=O)Nc3cc(OC)ccc3OC)c3ccc(C)cc3c2=O)cc1,NCGC00111145-01,18,4.7592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2cccc(F)c2)[nH]c1-c1ccccc1)Nc1ccc2c(c1)OCO2,NCGC00107658-01,18,5.3423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCO2,MLS000091298-01,18,2.8629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2nnn(Cc3cccc(C(F)(F)F)c3)c2N)c(C)c1,NCGC00105086-01,18,3.7965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(C(=O)NCCSc2c(-c3ccccc3)[nH]c3ccccc23)cc1,NCGC00104677-01,18,4.6073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1cc2ccccc2oc1=O,MLS000696891-01,18,5.4634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2cc3ccccc3oc2=O)cc1,MLS000696921-01,18,5.7718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccs1)NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,MLS000696931-01,18,6.0008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1,NCGC00104617-01,18,5.1404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1,NCGC00104621-01,18,5.0313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1,NCGC00104623-01,18,4.517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,NCGC00104643-01,18,4.6863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1,NCGC00104649-01,18,4.3779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(C(=O)NCCSc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1,NCGC00104651-01,18,5.2607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1,NCGC00104653-01,18,4.6159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCSc2c(-c3ccccc3)[nH]c3ccccc23)cc1,NCGC00104655-01,18,5.3875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1,NCGC00104673-01,18,4.9157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NCCSc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1OC,NCGC00104681-01,18,5.5133,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1,NCGC00100510-01,18,5.1148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc3c(N)c(C(=O)NCc4ccc(C)cc4)sc3n2)cc1,1004082,18,4.7925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1sc2nc(-c3ccco3)ccc2c1N,MLS000042416-01,18,4.3994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc(-c3ccco3)ccc12,MLS000559029-01,18,5.1533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)c2sc3nc(-c4ccc(OC)cc4)ccc3c2N)cc1,MLS000574746-01,18,4.7937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc2nc(-c3ccccc3)ccc2c1N,MLS000583378-01,18,3.7222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1,MLS000587519-01,18,4.7851,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3cccs3)ccc12,NCGC00100438-01,18,5.8781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3cccs3)ccc12,NCGC00100444-01,18,4.9984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)c(F)c4)sc3n2)c1,NCGC00100466-01,18,5.2539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4F)sc3n2)c1,NCGC00100468-01,18,5.5989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)c1,NCGC00100476-01,18,4.9242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1F,NCGC00101245-01,18,5.3844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)c1,NCGC00110664-01,18,4.2057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4C)sc3n2)c1,NCGC00141160-01,18,5.1148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)Nc2nccs2)cc1,MLS000722088-01,18,5.248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nsc(SCC(=O)Nc3nccs3)n2)c1,MLS000094512-01,18,3.7008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(Cl)cc3)[nH]2)cc1,MLS000586794-01,18,5.593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)Nc2nccs2)cc1,MLS000586796-01,18,5.593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2[nH]c(-c3ccc(SC)cc3)nc2SCC(=O)Nc2nccs2)cc1,MLS000722098-01,18,5.6615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(F)cc3)[nH]2)cc1,NCGC00107894-01,18,5.0423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(CC(c2ccccc2)c2ccccc2)s1)c1ccco1,MLS000594202-01,18,4.758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)c2ccc(COc3ccccc3)o2)s1,MLS000027812-01,18,3.5248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1,MLS000041175-01,18,3.9304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)Nc1nnc(-c2ccco2)s1,MLS000070255-01,18,2.9793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(CCc2ccccc2)s1)c1ccco1,MLS000106968-01,18,3.1686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1,MLS000107530-01,18,3.0504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCCc1nnc(NC(=O)c2ccco2)s1,MLS000525796-01,18,4.2864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccco1,MLS000526480-01,18,3.6276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1,MLS000528014-01,18,3.8452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1nnc(NC(=O)c2ccccc2)s1)NN=Cc1ccco1,MLS000562317-01,18,2.0762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(CN2CCOCC2)cc1,MLS000591226-01,18,3.6986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cccc(NC(=S)NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,MLS000394824-01,18,2.2644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,MLS000557186-01,18,3.1837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1,MLS000557592-01,18,4.6845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1,MLS000571813-01,18,4.9822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl,MLS000573670-01,18,5.1523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1,MLS000573994-01,18,4.7117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,MLS000574020-01,18,4.3564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,MLS000574354-01,18,3.5738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(CN2CCOCC2)cc1,MLS000589200-01,18,4.352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(CN2CCOCC2)cc1,MLS000590207-01,18,2.9534,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1,MLS000591227-01,18,4.1686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1,MLS000665423-01,18,4.3404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1,MLS000672975-01,18,3.8285,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(N2CCCC2)cc1,MLS000678737-01,18,3.4062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2[nH]1,MLS000587425-01,18,3.1283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(OC(=O)c2cccs2)cc1)c1nc2ccccc2[nH]1,MLS000392765-01,18,4.9078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1,MLS000533829-01,18,5.3713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(Br)c1,MLS000533830-01,18,6.1338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc([N+](=O)[O-])c1,MLS000533918-01,18,4.9428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1F,MLS000537993-01,18,5.5104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(F)c1,MLS000539284-01,18,5.5104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1,MLS000557836-01,18,4.1355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1ncccc1[N+](=O)[O-],MLS000558330-01,18,4.7312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(/C(C#N)=C\c3ccc([N+](=O)[O-])o3)nc2c1,MLS000560281-01,18,3.4367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc2c1,MLS000567498-01,18,5.1037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cn1,MLS000568259-01,18,4.7312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1,MLS000572765-01,18,6.3464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1,MLS000579372-01,18,6.0247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1C,MLS000588023-01,18,3.5824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1,NCGC00102316-01,18,5.8489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)no1,MLS000578778-01,18,2.658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccn2C)C1=O,MLS000324979-01,18,3.3169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3C)C2=O)cc1,MLS000324997-01,18,3.0085,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O,MLS000325018-01,18,3.3535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C,MLS000325056-01,18,3.8904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cc2cnc(NC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)s2)c1,MLS000526776-01,18,4.8822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)no1,MLS000559643-01,18,3.6646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccccc3)C2=O)cc1OC,MLS000571951-01,18,3.7689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1,MLS000574019-01,18,4.0101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccccc3)C2=O)cc1OC,MLS000584312-01,18,3.7689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)no1,MLS000588369-01,18,3.6646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)c1ccccc1O,MLS000595133-01,18,1.8897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2\SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1,MLS000595134-01,18,1.8983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O,MLS000572980-01,18,4.148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1sc2c(c1C#N)CCCC2,MLS000324916-01,18,5.3208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=S)NC(=O)C2CCCC2)sc2c1CCCCC2,MLS000392643-01,18,3.8919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)N1C(=O)c2ccccc2C1=O,MLS000535172-01,18,3.7731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)n1,MLS000553019-01,18,3.4024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)C2CC(c3ccccc3O)=NO2)sc2c1CCC2,MLS000553487-01,18,2.9458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1ncc(Cl)c1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCCC2,MLS000560972-01,18,3.4024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1sc2c(c1C#N)CCC2,MLS000568409-01,18,5.7036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-],MLS000572938-01,18,3.9656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1Br,MLS000087711-01,18,5.5988,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-],MLS000549750-01,18,5.0192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1[N+](=O)[O-],MLS000563948-01,18,5.3276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-],MLS000568754-01,18,3.2202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)NC(=S)Nc2ccccn2)cc1[N+](=O)[O-],MLS000572924-01,18,2.5153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccco2)c1,MLS000574652-01,18,4.7454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-],MLS000578348-01,18,4.1106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Oc2cc(NC(=O)c3ccco3)cc([N+](=O)[O-])c2)cc1,MLS000579179-01,18,4.6311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCC(C)CC2)cc1[N+](=O)[O-],MLS000580152-01,18,4.3566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=S)NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1ccco1,MLS000681268-01,18,3.8064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc2c(c1)OCO2)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1,MLS000562321-01,18,3.0652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc2c(c1)OCO2)c1sc2cccc(Cl)c2c1Cl,MLS000325412-01,18,4.7007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)cc1,MLS000521538-01,18,3.2876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(O)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1,MLS000530400-01,18,3.2216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCCO,MLS000563849-01,18,0.3909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc2c(c1)OCO2)c1sc2cc(Cl)ccc2c1Cl,MLS000566430-01,18,4.7007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(Br)o1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1,MLS000579092-01,18,3.8715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C/C=C/c1ccco1)/C(=C/c1ccccc1)NC(=O)c1ccccc1,MLS000579820-01,18,3.8659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NN=Cc1ccc2c(c1)OCO2,MLS000584346-01,18,2.8699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1ccc2c(c1)OCO2,MLS000591220-01,18,2.8137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CN(C)CC3)cc1,MLS000074428-01,18,2.6806,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,NCGC00036283-01,2,3.6218,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1,MLS000034180-01,18,3.0707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,MLS000035051-01,18,3.6218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1,MLS000074418-01,18,2.8111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)CSc2nc3c(cc2C#N)CCCCCC3)c(C#N)c1C,MLS000078476-01,18,4.7614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(nc1SCC(=O)Nc1nccs1)CCCCC2,MLS000108418-01,18,3.4095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(C)cc3)n2)cc1,MLS000325287-01,18,5.6869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2C#N)cc1,MLS000538791-01,18,5.6869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)c(C#N)c1C,MLS000555987-01,18,4.3713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)c(C#N)c(-c3cccs3)c2C1,MLS000590646-01,18,5.2991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)cc1,NCGC00102171-01,18,4.6055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cn1,MLS000069078-01,18,3.4059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cn1,2084275,18,1.9132,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)nc(SCC(=O)Nc2ccc(Cl)cn2)n1,MLS000123871-01,18,2.2698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc(Cl)cn1,MLS000334931-01,18,2.5002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(Cl)cn1,MLS000334960-01,18,3.4708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(C)cc(SCC(=O)Nc3ccc(Cl)cn3)nc2c1,MLS000335904-01,18,4.331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc(Cl)cn3)coc2c1,MLS000390343-01,18,3.514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cn1,MLS000533524-01,18,4.8957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cn1)c1ccc2ccccc2n1,MLS000534070-01,18,3.5355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cn1)Nc1ccccc1F,MLS000549489-01,18,3.5181,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Cl)cc1)NC1=NN(c2ccccc2)C(=O)C1,MLS000572535-01,18,2.5854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=S)NC(=O)COc2ccc(Cl)cc2)ccc1Br,MLS000580875-01,18,3.6979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cn1)Nc1ccccc1Cl,MLS000683437-01,18,4.0324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)no1,NCGC00115938-01,18,4.0125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(NC(=O)CSc3nnc(C)s3)ns2)cc1,MLS000050593-01,18,3.1044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc(NC(=O)CSc3nnc(C)s3)ns2)cc1,NCGC00085718-01,2,3.4042,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-c2nc(NC(=O)CSc3nnc4scc(-c5ccccc5)n34)ns2)cc1,NCGC00085750-01,2,5.0155,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-c2csc3nnc(SCC(=O)Nc4nsc(-c5ccccc5)n4)n23)cc1,MLS000050182-01,18,5.0155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(NC(=O)CSc3nc(SC)ns3)sc2c1,MLS000332541-01,18,3.6091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(SCC(=O)Nc2nc(C(C)(C)C)cs2)s1,MLS000537395-01,18,3.3313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc(NC(=O)CSc3cc(C)c4ccccc4n3)ns2)cc1,MLS000586735-01,18,5.1009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(C)cc(SCC(=O)Nc3nsc(-c4ccc(C)cc4)n3)nc2c1,MLS000586736-01,18,5.1095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(C)cc(SCC(=O)Nc3nsc(-c4ccc(C(C)(C)C)cc4)n3)nc2c1,NCGC00101617-01,18,6.0986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(C)cc(SCC(=O)Nc3nsc(-c4ccccc4C)n3)nc2c1,NCGC00101921-01,18,5.1095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)nc2ccccc12,NCGC00101931-01,18,6.09,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1,NCGC00085299-01,2,3.3013,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)no1,NCGC00085297-01,2,3.6834,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)no1,NCGC00085367-01,2,3.7344,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1c(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)sc2c1CCCCCC2,MLS000089167-01,18,5.1314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C1CC(c2ccccc2)Nc2ncnn21,NCGC00084880-01,2,3.7328,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Fc1ccc(C2CC(c3ccccc3)Nc3ncnn32)cc1,NCGC00084874-01,2,3.5635,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(C2CC(c3ccc(F)cc3)n3ncnc3N2)cc1,NCGC00084876-01,2,3.9622,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Fc1ccc(C2CC(c3ccco3)n3ncnc3N2)cc1,NCGC00084944-01,2,3.1565,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(c3ccco3)n3ncnc3N2)cc1,NCGC00084948-01,2,3.026,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCCCC2)o1,NCGC00084823-01,2,2.8679,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1,NCGC00084785-01,2,2.9126,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1,NCGC00084819-01,2,2.5871,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1CCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,NCGC00084934-01,2,3.3859,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,NCGC00084998-01,2,3.0124,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccn4)CC3)sc21,NCGC00084669-01,2,4.3126,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2c(c1)C(=O)[C@H](OC(=O)N[C@H]1CCCc3ccccc31)[C@@H](c1ccc(OC)c(Br)c1)O2,NCGC00160786-01,18,5.9551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@H](C)C2CCCCC2)c1,MLS000438742-01,18,5.0838,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC(=O)N[C@H]1CCCc3ccccc31)C2=O,MLS000438755-01,18,4.9127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)N[C@H]1CCCc3ccccc31)C2=O,MLS000438794-01,18,6.2028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)C(=O)[C@@H](OC(=O)NCc1ccc3c(c1)OCO3)[C@H](c1ccc(OC)c(Br)c1)O2,MLS000438819-01,18,4.8064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C(=O)c2cc(OC)ccc2O[C@H]1c1ccc(OC)c(Br)c1,MLS000438903-01,18,4.6618,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC(=O)NCCc1ccc(OC)c(OC)c1)C2=O,NCGC00160693-01,18,4.095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C(=O)c2cc(OC)ccc2O[C@@H]1c1ccc(OC)c(Br)c1,NCGC00160716-02,18,4.6618,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)N[C@H]1CCCc3ccccc31)C2=O,NCGC00160724-01,18,6.2028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1,NCGC00160730-01,18,5.9465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC(=O)Nc1ccc(C)c(Br)c1)C2=O,NCGC00160737-01,18,5.4285,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)C(=O)[C@H](OC(=O)Nc1ccc(C)c(Br)c1)[C@@H](c1ccc(OC)c(Br)c1)O2,NCGC00160738-01,18,6.4709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)O[C@@H](c1ccc3c(c1)OCO3)[C@H](OC(=O)Nc1ccc(C)c(Br)c1)C2=O,NCGC00160745-01,18,5.4285,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)[C@@H](NC(=O)O[C@H]1C(=O)c2cc(OC)ccc2O[C@@H]1c1ccc(OC)c(Br)c1)C(C)C,NCGC00160760-01,18,4.0751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1,NCGC00160844-01,18,6.3063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccccc2)c1C,NCGC00138399-01,18,5.8869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1C,6413218,18,4.7392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)CSc1nccn1-c1ccccc1,MLS000090721-01,18,4.0018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2ccccc2)cn1-c1ccccc1)Nc1ccccc1,NCGC00138397-01,18,5.2701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)cc1,NCGC00138429-01,18,5.7176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)cc1Cl,NCGC00138431-01,18,5.9321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(C)cc1,NCGC00138435-01,18,6.2405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NCc2cc3cc4c(cc3n(CC(=O)Nc3cc(C)cc(C)c3)c2=O)OCO4)cc1,NCGC00126052-01,18,4.6064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(CNc2ccccc2)cc2cc3c(cc21)OCCO3,NCGC00125892-01,18,4.9853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NCc2cc3cc4c(cc3n(CC(=O)Nc3ccc(C)cc3)c2=O)OCCO4)cc1,NCGC00125898-01,18,4.6403,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NCc2cc3cc4c(cc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)OCCO4)cc1,NCGC00125920-01,18,4.6101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)Cn1c(=O)c(CNc2ccc(C)cc2)cc2cc3c(cc21)OCCO3,NCGC00125922-01,18,4.3405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1,NCGC00125924-01,18,5.5881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc(OC)c(Cl)c3)c2c1,NCGC00125926-01,18,5.2313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NCc2cc3ccc(OC)cc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1,NCGC00125950-01,18,5.9467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NCc2cc3cc4c(cc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)OCO4)cc1,NCGC00126020-01,18,4.6064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NCc2cc3cc4c(cc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)OCO4)cc1,NCGC00126026-01,18,4.2678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NCc2cc3cc4c(cc3n(CC(=O)Nc3cccc(F)c3)c2=O)OCO4)cc1,NCGC00126028-01,18,4.1287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NCc2cc3ccc(OC)cc3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1,NCGC00126050-01,18,5.2313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cccc(NC(=O)Cn2c(=O)c(CNc3ccc(C)cc3)cc3cc4c(cc32)OCCO4)c1,NCGC00126080-01,18,4.5345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)c1nc(S(C)(=O)=O)ncc1N(Cc1ccc(C)cc1)Cc1ccco1,NCGC00117900-01,18,4.9026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2Cl)cc1,NCGC00115341-01,18,5.5026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2cccc(F)c2)Cc2ccco2)cc1C,NCGC00117794-01,18,4.6881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2Br)o1,NCGC00117822-01,18,4.5961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2cccs2)cc1C,NCGC00117826-01,18,4.6105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(Cl)cc1,NCGC00117832-01,18,4.9555,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(C)c2)cc1,NCGC00117834-01,18,4.803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)c(Cl)c2)cc1,NCGC00117854-01,18,5.4564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2c(C)cccc2C)cc1,NCGC00117856-01,18,5.1114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2)cc1,NCGC00117858-01,18,5.0556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(Cl)c2C)c1,NCGC00117918-01,18,4.9026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccccc1Cl,NCGC00117920-01,18,4.5942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1cc(C)ccc1C,NCGC00117922-01,18,4.5576,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1ncc(N(Cc2ccccc2)Cc2ccco2)c(C(=O)Nc2ccc(C)c(C)c2)n1,NCGC00117952-01,18,4.9391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1ncc(N(Cc2ccccc2)Cc2ccco2)c(C(=O)Nc2cccc(Cl)c2C)n1,NCGC00117954-01,18,5.2841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C/c2nc(C#N)c(NCCc3ccccc3)o2)cc(OC)c1OC,NCGC00116466-01,18,4.3971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNc2oc(-c3ccc(C)cc3)nc2C#N)cc1OC,NCGC00085806-01,2,4.1935,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COCCNc1oc(/C=C/c2ccc(F)cc2)nc1C#N,16013781,18,2.9141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N,6200422,18,3.1909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCNc1oc(/C=C/c2ccccc2)nc1C#N,5740390,18,3.3146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNc2oc(COc3ccccc3F)nc2C#N)cc1,MLS000043263-01,18,3.9276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCc2nc(C#N)c(NCCc3ccccc3)o2)cc1,NCGC00101258-01,18,4.0883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(c3oc(/C=C/c4cc(OC)c(OC)c(OC)c4)nc3C#N)CC2)cc1,NCGC00116464-01,18,4.0777,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc(C)c1Cl,NCGC00115595-01,18,5.2236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2occ(CC(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)c2c1,NCGC00115101-01,18,5.7591,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(CC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)coc2c1,NCGC00115231-01,18,5.4801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(OCC(C)C)cc2)cc1,NCGC00115349-01,18,5.4654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C(C)C)cc2)cc1,NCGC00115373-01,18,5.3192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(F)cc2)cc1,NCGC00115581-01,18,4.0925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)c1,NCGC00115583-01,18,4.8787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1Cl,NCGC00115591-01,18,5.8937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2c1,NCGC00115617-01,18,5.8052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2cc1Cl,NCGC00115619-01,18,6.2046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(CC(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)coc2c1,NCGC00115627-01,18,6.0675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2Cl)c1,NCGC00115649-01,18,5.1576,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2C)cc1,NCGC00117345-01,18,5.4116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)cc1,NCGC00117413-01,18,5.324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)coc2c1,NCGC00115175-01,18,4.4054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12,MLS000394114-01,18,3.8321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4C)cc3)coc2c1C,NCGC00115027-01,18,4.7939,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)c2c1,NCGC00115071-01,18,4.343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)coc2c1,NCGC00115093-01,18,4.343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(CC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)coc2c1,NCGC00115171-01,18,3.8216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(CC(=O)Nc3nnc(C(C)C)s3)coc2c1,NCGC00115203-01,18,4.2057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)coc2c1,NCGC00115209-01,18,4.6514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1,NCGC00115856-01,18,4.6153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2n[nH]c3c2C(c2cccs2)N(c2ccc(Br)cc2)C3=O)cc1,NCGC00108453-01,18,6.0492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2C1c1cccnc1,NCGC00104343-01,18,4.9016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)ccc1O,NCGC00085027-01,2,2.9285,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1-c1nc2n(n1)C(c1cccs1)C(C(=O)Nc1cccnc1)=C(C)N2,MLS000085054-01,18,4.3378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(N)=O)C(c2cccc(Br)c2)n2nc(SCc3ccccc3)nc2N1,NCGC00104279-01,18,4.1071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(N)=O)C(c2ccc(C(C)C)cc2)n2nc(SCc3ccccc3)nc2N1,NCGC00104313-01,18,4.468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C2C(C(N)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1,NCGC00104315-01,18,4.1908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)n2nc(SCc3ccccc3)nc2N1,NCGC00104317-01,18,5.5595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1C(C(N)=O)=C(C)Nc2nc(SCc3ccccc3F)nn21,NCGC00104375-01,18,3.4923,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccccc2)C(C(C)C)n2nc(SCc3ccccc3C)nc2N1,NCGC00107743-01,18,5.4141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CSc2nc3n(n2)C(c2ccccc2C)C(C(=O)Nc2ccccc2OC)=C(C)N3)c1,NCGC00137756-01,18,5.8236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(N)=O)C(c2cccc(F)c2)n2nc(SCc3ccccc3)nc2N1,NCGC00141407-01,18,3.4837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2cccnc2)C(c2cccc(O)c2)n2nc(SCc3ccccc3)nc2N1,NCGC00141409-01,18,4.5986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc12,MLS000720399-01,18,4.5174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12,NCGC00044936-01,2,4.229,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Fc1cccc2sc(Nc3nnc(-c4ccco4)o3)nc12,MLS000045464-01,18,3.822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12,MLS000045467-01,18,4.229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cccc2sc(Nc3nc4ccccc4s3)nc12,MLS000720277-01,18,4.7887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1,MLS000720287-01,18,4.9278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cccc2sc(Nc3nc4c(F)cccc4s3)nc12,MLS000720337-01,18,4.9278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cc(F)c2nc(Nc3nc4c(F)cccc4s3)sc2c1,MLS000720338-01,18,5.0669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cccc2sc(Nc3nc4cc5c(cc4s3)OCCO5)nc12,MLS000720340-01,18,4.5599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1,MLS000720369-01,18,4.5174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cc(F)c2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1,MLS000720409-01,18,4.6565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(Nc3nc4cc5c(cc4s3)OCCO5)sc2c1,MLS000720419-01,18,4.4294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1,MLS000720428-01,18,5.0669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc2nc(Nc3nc4cc5c(cc4s3)OCCO5)sc2c1,MLS000720429-01,18,4.5599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)NC(=S)Nc1nc(-c2ccc(OC)cc2)cs1,MLS000676885-01,18,3.4318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(Br)o3)n2)cc1,MLS000334375-01,18,3.9697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1nc(C(=O)OCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c2ccccc2c1=O,MLS000335072-01,18,3.344,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(NC(=O)COC(=O)Cc3ccc(Cl)cc3Cl)n2)cc1,MLS000392470-01,18,4.8499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1,MLS000394496-01,18,3.3949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(=O)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1,MLS000575782-01,18,4.8224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(=O)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1,MLS000698102-01,18,4.3226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1,MLS000722340-01,18,2.6864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(Br)o2)cc1,MLS000570981-01,18,4.9671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=S)cc1OC,6902564,18,2.7236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)c2ccccc2)cc1,MLS000335664-01,18,5.1,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1,MLS000390010-01,18,5.0711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cn(-c2cccs2)nc1-c1ccccc1)c1ccccc1Br,MLS000390761-01,18,5.1272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1,MLS000394871-01,18,5.1203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1,MLS000416302-01,18,4.5487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccccc1,MLS000416381-01,18,4.4096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)o1,MLS000570567-01,18,4.7978,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nn(-c3ccccc3)cc2C=NNS(=O)(=O)c2ccccc2)cc1,MLS000570586-01,18,3.8603,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc3c(c2)OCO3)cc1,MLS000570590-01,18,4.0405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc2c(c1)OCO2,MLS000577712-01,18,4.171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1,MLS000578697-01,18,4.1601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,MLS000578715-01,18,3.8517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNS(=O)(=O)c2ccccc2)cc1,MLS000578741-01,18,4.1601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(O)c2ccccc2n1)NCc1ccc(Cl)cc1,MLS000566072-01,18,3.3973,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(Cl)cc1,NCGC00047905-01,2,4.1495,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nc(O)c2ccccc2n1)N1CCCCC1,NCGC00085643-01,2,2.44,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(NC(=O)CSc1nc(O)c2ccccc2n1)c1ccccc1,MLS000063793-01,18,3.3049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)CSc2nc(O)c3ccccc3n2)cc1,MLS000068558-01,18,3.8728,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nc(O)c2ccccc2n1,MLS000102840-01,18,2.6135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(O)c2ccccc2n1)c1cccs1,MLS000108874-01,18,3.3719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)CSc1nc(O)c2ccccc2n1,MLS000530966-01,18,3.683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CSc1nc(O)c2ccccc2n1,MLS000862557-01,18,3.9361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc21)NCc1ccc(Cl)cc1,NCGC00131640-01,18,4.876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)c1ccc(Cl)cc1,NCGC00138811-01,18,6.0018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1C=NNC(=O)CNC(=O)/C=C/c1ccccc1,MLS000552582-01,18,2.7374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1C=NNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2,MLS000536007-01,18,4.8115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1C=NNC(=O)CNC(=O)/C=C/c1ccccc1OC,MLS000552583-01,18,2.746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2ccccc2c1,MLS000566890-01,18,5.2628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1/C=C/C(=O)Nc1c(C)cccc1C,MLS000571815-01,18,4.7264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1,MLS000573257-01,18,4.418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)NCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1,MLS000584374-01,18,3.9168,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1F)NN=Cc1cc(Br)ccc1OCc1ccccc1,MLS000587392-01,18,4.0473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(F)cc1)NN=Cc1cc(Br)ccc1OCc1ccccc1,MLS000587393-01,18,4.0473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)NCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1,MLS000587394-01,18,3.6734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)NCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1,MLS000587395-01,18,3.9818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1F)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1,MLS000587396-01,18,3.6801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1cccc(F)c1)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1,MLS000587397-01,18,3.6801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)NCC(=O)NN=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccco1,MLS000587400-01,18,3.5496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1cccc(F)c1)NN=Cc1cc(Br)ccc1OCc1ccccc1,MLS000591667-01,18,4.0473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)OCCO2)c1cc2sccc2n1Cc1ccccc1,MLS000529361-01,18,4.7746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2sccc21,MLS000027847-01,18,3.2633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc2sccc2n1Cc1ccccc1)N1CCc2ccccc21,MLS000075101-01,18,4.954,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1cc2sccc2n1Cc1ccc(F)cc1,MLS000075111-01,18,4.599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1cc2sccc2n1Cc1ccc(Cl)cc1,MLS000522632-01,18,5.1133,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)Nc2ccccc2)cc2sccc21,MLS000523520-01,18,3.4921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)OCCO2)c1cc2sccc2n1Cc1ccc(F)cc1,MLS000529437-01,18,4.9137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1c[nH]c2ccccc12)c1cc2sccc2n1Cc1ccccc1,MLS000529530-01,18,5.2049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(C(=O)NCc3ccccc3Cl)cc3sccc32)cc1,NCGC00112066-01,18,5.6429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccc(C)cc2)cc1,NCGC00112070-01,18,5.3404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)cc1,NCGC00112074-01,18,5.8594,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)cc1,NCGC00112106-01,18,5.6152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1,NCGC00112136-01,18,6.1043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12,MLS000528238-01,18,3.791,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12,MLS000033924-01,18,2.8768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12,MLS000064831-01,18,3.4826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cn(CC(=O)NC2CCCCCC2)c2ccccc12,MLS000528475-01,18,3.2669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc(Br)cc1,NCGC00101609-01,18,5.335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)cc1,NCGC00101778-01,18,5.3514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21,NCGC00101818-01,18,6.0048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)c1,NCGC00102070-01,18,4.5282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1,NCGC00123357-01,18,4.9773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC(=O)N[C@H](C)C1CCCCC1)C2=O,MLS000438904-01,18,4.8039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C(=O)c2ccc(OC)cc2O[C@@H]1c1ccc2c(c1)OCO2,MLS000438756-01,18,3.6194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1ccc(OC(F)F)cc1)C2=O,MLS000438805-01,18,6.2491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)O[C@@H]2C(=O)c3cc(Br)ccc3O[C@H]2c2ccc3c(c2)OCO3)cc1Br,NCGC00160779-01,18,6.1824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)Nc1ccccc1,MLS000393469-01,18,3.7002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)Nc1ccccc1,MLS000390827-01,18,5.4278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1,MLS000393206-01,18,2.6938,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1,MLS000416809-01,18,4.2626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)c1ccc(NC2CCCCC2)c(S(=O)(=O)N2CCOCC2)c1,MLS000530903-01,18,3.7044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1,MLS000554551-01,18,3.642,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc[nH]n1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1,MLS000564395-01,18,2.2751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cccc2c1C(=O)N(C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c1)C2=O,MLS000570146-01,18,2.9233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1,MLS000570283-01,18,3.4896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C(=O)c2ccccc2C1=O,MLS000571156-01,18,2.0276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ncc(Cl)cc1Cl,MLS000390240-01,18,5.052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)Nc1c(Cl)cc(Cl)cc1Cl,2425120,18,5.4266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl,2412142,18,3.7748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1sc2ccccc2c1Cl)NC1CCCCC1,MLS000390165-01,18,4.1604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1sc2ccccc2c1Cl)NCC1CCCCC1,MLS000390729-01,18,4.408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ncc(Cl)cc1Cl,MLS000391255-01,18,5.1757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1,MLS000392575-01,18,5.0452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ncc(Cl)cc1Cl,MLS000392655-01,18,5.1911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)ccc1C,MLS000402351-01,18,4.6891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O,MLS000568510-01,18,3.581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,MLS000123889-01,18,1.9494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,MLS000030235-01,18,2.0941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,MLS000034471-01,18,2.0941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,MLS000063739-01,18,2.376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1,MLS000099286-01,18,2.8757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Cc1ccccc1)N1CCN(c2ccccc2)CC1,MLS000530373-01,18,2.3386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1,MLS000531671-01,18,2.3472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1,MLS000531727-01,18,3.9339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(F)c1F,MLS000538550-01,18,4.8261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1,MLS000555860-01,18,4.4164,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1,MLS000570572-01,18,2.2885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)CC2)cc1,MLS000582133-01,18,4.0131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1,MLS000584871-01,18,4.2209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(-c2ccccc2)cc1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,NCGC00133084-01,18,3.3034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCCN1CCCC1=O,NCGC00085749-01,2,1.2714,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCc2ccccc2C1,NCGC00085407-01,2,2.7276,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(CCc1ccco1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21,NCGC00085409-01,2,2.8732,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N(Cc1ccco1)C1CCCCC1,NCGC00085413-01,2,4.0972,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCCN(Cc2ccccc2F)C1,NCGC00085415-01,2,2.9738,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1CCCO1,NCGC00085737-01,2,1.4379,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1COc2ccccc2O1,NCGC00085739-01,2,2.0989,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1cccc(C)c1,NCGC00085741-01,2,3.4839,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CC(C)CN(CCCNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)C1,NCGC00085743-01,2,2.6269,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21,NCGC00085745-01,2,1.6855,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCC(N2CCCCC2)CC1,NCGC00085747-01,2,2.6196,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCN1CCN(c2ccccc2F)CC1,NCGC00085767-01,2,2.2202,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nc2ccccc2s1,MLS000045019-01,18,3.3911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2oc(=O)c3cnn(CC(=O)NCCc4ccsc4)c3c2c1,MLS000118371-01,18,2.8715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1CCCN(c2c(NCCN(C)Cc3ccccc3)c(=O)c2=O)C1,NCGC00085256-01,2,1.606,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(N3CCc4ccccc4C3)c(=O)c2=O)C1,NCGC00085224-01,2,1.6248,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(Nc3ccc(C)c(C)c3)c(=O)c2=O)C1,NCGC00085226-01,2,2.4225,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(NCC3CCCO3)c(=O)c2=O)C1,NCGC00085228-01,2,0.653,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(N3CCC(N4CCCCC4)CC3)c(=O)c2=O)C1,NCGC00085230-01,2,1.5168,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(NCC3CCCN3CC)c(=O)c2=O)C1,NCGC00085234-01,2,0.9583,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(NCCc3ccc(S(N)(=O)=O)cc3)c(=O)c2=O)C1,NCGC00085236-01,2,0.3641,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(NCc3ccco3)c(=O)c2=O)C1,NCGC00085238-01,2,1.2672,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(NCCCN3CCCC(C)C3)c(=O)c2=O)C1,NCGC00085258-01,2,1.596,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2c(Nc3cccc(C)c3)c(=O)c2=O)C1,NCGC00085598-01,2,2.1141,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1,MLS000079951-01,18,3.3329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,NCGC00036081-01,2,2.8763,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1c(=O)sc2ccccc21)Nc1nc2c(s1)CCCC2,MLS000114877-01,18,3.037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1,MLS000548356-01,18,3.7523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1c2ccccc2Sc2ccccc21,MLS000582057-01,18,5.3059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,NCGC00129716-01,18,4.6744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(O)nc(O)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,MLS000047059-01,18,1.3605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,NCGC00129553-01,18,3.9547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1,NCGC00129559-01,18,3.3465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,NCGC00129581-01,18,4.3814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1,NCGC00129624-01,18,4.7561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cc(C)ccc1OC,NCGC00129658-01,18,4.6279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(Cl)c1C,NCGC00129678-01,18,5.2727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cc(Cl)ccc1C,NCGC00129680-01,18,5.2727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cc(Cl)c(OC)cc1OC,NCGC00129688-01,18,4.9815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NS(=O)(=O)c1c(-c2ccc(C)cc2)csc1C(=O)OC,NCGC00129690-01,18,4.7096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(N(C)C)cc1,NCGC00129708-01,18,4.3769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,NCGC00129712-01,18,4.6379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1,NCGC00129720-01,18,4.0296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1,NCGC00125299-01,18,6.5794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)cc1,NCGC00125267-01,18,6.7056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(SCc2nc(-c3ccc(C(=O)NCc4ccccc4Cl)cc3)oc2C)cc1,NCGC00125269-01,18,6.8341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(SCc2nc(-c3ccc(C(=O)NCC(C)c4ccccc4)cc3)oc2C)cc1,NCGC00125295-01,18,6.7842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)cc1Cl,NCGC00125297-01,18,7.165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CNC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)cc1,NCGC00125307-01,18,6.7431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc1CSc1ccccc1,NCGC00125331-01,18,7.2134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1,NCGC00125335-01,18,7.1564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)cc(OC)c1,NCGC00125357-01,18,6.2118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)c1C,NCGC00125359-01,18,6.8115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1CS(=O)(=O)c1ccccc1,NCGC00125457-01,18,4.5539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CNC(=O)c2ccc(-c3nc(CS(=O)(=O)c4ccccc4)c(C)o3)cc2)cc1,NCGC00125493-01,18,4.9526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1ccc(-c2nc(CN3CCc4ccccc43)c(C)o2)cc1,NCGC00132824-01,18,5.1513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)c(C)c2cc1Cl,NCGC00115615-01,18,6.792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3ccccc3Cl)c(C)c2cc1C,NCGC00115375-01,18,6.4471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)oc2ccc(F)cc12,NCGC00115377-01,18,5.9693,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2oc(C(=O)N(Cc3cccc(Cl)c3)Cc3ccco3)c(C)c2c1,NCGC00115381-01,18,6.3926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3cc(Br)ccc3c2C)cc1,NCGC00115385-01,18,6.2477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3ccc(C)cc3c2C)cc1,NCGC00115387-01,18,5.7937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1cccc(F)c1)Cc1ccco1,NCGC00118824-01,18,5.5697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1,NCGC00106562-01,18,5.1695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(C)o3)c(Nc3ccc4c(c3)OCCO4)n2c1,NCGC00106113-01,18,4.7259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2c(-c3cccc(Cl)c3)nc3cccc(C)n23)cc1,NCGC00106540-01,18,6.0151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O,NCGC00106566-01,18,4.8837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1,NCGC00106594-01,18,5.231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(Br)o3)nc12,NCGC00106596-01,18,5.18,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(-c2nc3c(C)cccn3c2Nc2ccc3c(c2)OCCO3)cc1,NCGC00106598-01,18,5.5464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1,NCGC00106606-01,18,4.886,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3cccs3)nc2c1,NCGC00106678-01,18,4.886,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2nc(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n12,NCGC00106778-01,18,5.5394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)o1,NCGC00108856-01,18,4.8716,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(N(C)C)cc3)nc2c1,NCGC00108884-01,18,4.848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCO4)n2c1,NCGC00108892-01,18,4.4876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)ccc1O,NCGC00108952-01,18,4.8412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(=O)c2ccc(Cl)cc2)cc1,NCGC00104730-01,18,5.7042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCC2CCCO2)cc1,6914688,18,3.6667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)c1ccccc1,NCGC00104440-01,18,5.1494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1,NCGC00104444-01,18,5.2222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)CSc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1,NCGC00104448-01,18,5.9573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccco2)oc1SCc1ccccc1F,NCGC00104452-01,18,5.9613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1,NCGC00104454-01,18,5.5049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,NCGC00104470-01,18,5.8028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2SCC(=O)c2ccccc2)cc1,NCGC00104532-01,18,5.5969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1,NCGC00104692-01,18,5.3958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCc2ccccc2Cl)cc1,NCGC00104726-01,18,6.0215,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1SCc1ccc(F)cc1,NCGC00104762-01,18,5.8522,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1,NCGC00104764-01,18,6.0215,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1SCc1ccccc1F,NCGC00104766-01,18,5.8522,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1cccc(C)c1C,NCGC00103092-01,18,5.1727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl,MLS000331909-01,18,5.0273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccco1,MLS000570920-01,18,4.7832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)ccc1Cl,NCGC00103072-01,18,5.5176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1,NCGC00118932-01,18,5.2092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1C,NCGC00118934-01,18,5.5176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1F)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1,NCGC00118936-01,18,5.0399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC,MLS000703824-01,18,3.0241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1,MLS000324685-01,18,4.0355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2ccoc2C)cc1COc1ccc(Cl)cc1,MLS000325095-01,18,4.5929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1,MLS000325257-01,18,4.741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1COc1ccccc1[N+](=O)[O-],MLS000547436-01,18,4.1482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(OCc2cc(C=NNC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)ccc2OC)c1,MLS000554740-01,18,4.9841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Br)cc1,MLS000576524-01,18,4.3535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1cccs1,MLS000577447-01,18,3.8134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1cccs1,MLS000578649-01,18,4.2035,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2cc(C(N)=O)c(=NNC(=O)COc3ccc(Cl)cc3)oc12,MLS000582616-01,18,2.2046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1Cn1cc(Cl)cn1,MLS000584385-01,18,4.0107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1Cn1nc(C)cc1C,MLS000584673-01,18,4.3927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1,MLS000573230-01,18,4.7927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1Cl)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1,MLS000538721-01,18,5.1377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2,MLS000573901-01,18,4.1498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1,MLS000574464-01,18,5.5079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1,MLS000578923-01,18,5.7539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(Cl)cc2)c1,MLS000578988-01,18,4.2339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1,NCGC00098275-01,18,6.2868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1,MLS000571243-01,18,4.5862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3Br)o2)n1-c1ccccc1,NCGC00038677-01,2,5.4905,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1,MLS000081994-01,18,4.5263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2c(SCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1,MLS000334170-01,18,4.0399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1c[nH]c2ccccc12,MLS000391104-01,18,4.842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(SCc2cccc(F)c2)n1-c1cccc(S(=O)(=O)N2CCCC2)c1,MLS000394206-01,18,4.6016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccc([N+](=O)[O-])cc1,MLS000559772-01,18,4.9456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1,MLS000579013-01,18,5.0672,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1,MLS000581922-01,18,4.8946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nn2c(SCc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1,MLS000583560-01,18,3.9895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2,MLS000570949-01,18,4.5837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)nc(OC)n1,NCGC00026141-01,2,2.6205,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)c(OCC(=O)Nc2cccc(O)c2)cc1C,MLS000100098-01,18,3.335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(Br)o1,MLS000526609-01,18,4.8656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1,MLS000563376-01,18,2.8801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,MLS000575090-01,18,3.377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccncc1,MLS000666618-01,18,3.9051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ncc(C)s3)n2)cc1,MLS000553371-01,18,5.7916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SC)n2)cc1,MLS000120931-01,18,5.0264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3nccs3)c2C#N)cc(OC)c1OC,MLS000325387-01,18,5.5004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C3CC3)nc(SCC(=O)c3cccs3)c2C#N)cc1,MLS000416380-01,18,5.5428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)c(C#N)c1C,MLS000538487-01,18,4.6011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NCc3ccccc3OC)n2)cc1,MLS000555971-01,18,5.7745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ncc(C)s3)c2c1,MLS000557028-01,18,5.1912,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N,MLS000581826-01,18,5.5551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(O)CS(=O)(=O)Cc3ccccc3)n2)cc1,NCGC00099317-01,18,5.3639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(O)CS(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1,NCGC00099319-01,18,6.0173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NNc2nc3ccccc3[nH]2)c(O)c1,MLS000541069-01,18,3.5607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1nc2ccccc2cc1/C=N/Nc1nc2ccccc2[nH]1,9638528,18,4.2105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NNc2nc3ccccc3[nH]2)cc1,MLS000390929-01,18,3.8551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(C=NNc2nc3ccccc3[nH]2)cc1,MLS000391211-01,18,2.9673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNc2nc3ccccc3[nH]2)cc(OC)c1O,MLS000393451-01,18,2.7317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NN(c2ccccc2)c2ccccc2)c(O)c1,MLS000394126-01,18,5.4106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NNc2cccc(C)c2)c(O)c1,MLS000395027-01,18,3.9928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NN=C(S)NCc2ccccc2)c(O)c1,MLS000401583-01,18,3.6479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=NNc1nc2ccccc2[nH]1)c1cccs1,MLS000552860-01,18,3.0704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1,MLS000578650-01,18,5.2605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cc(C=NNc2nc3ccccc3[nH]2)c(O)cc1O,MLS000585438-01,18,2.3283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1cc(C=NNc2nc3ccccc3[nH]2)c2ccccc21,MLS000585667-01,18,4.1496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1O,MLS000588417-01,18,2.7231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NN2C(=O)c3ccccc3C2=O)c(O)c1,MLS000705080-01,18,2.8685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1,MLS000540131-01,18,3.8874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)CC1,MLS000032813-01,18,2.3994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(S(=O)(=O)c2ccc(NN=C(C#N)C#N)cc2)CC1,MLS000546200-01,18,1.9223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1,MLS000581470-01,18,3.8358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,MLS000696963-01,18,4.3608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc12,NCGC00134199-01,18,4.586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1,MLS000536723-01,18,3.1779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)s1,MLS000027478-01,18,2.2871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1,MLS000032995-01,18,2.9638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)s1,MLS000034948-01,18,2.8593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1,MLS000393580-01,18,4.2527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)cc1,MLS000393625-01,18,3.9487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,MLS000393686-01,18,4.2937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1,MLS000393843-01,18,3.8936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)s1,MLS000548557-01,18,2.6048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)s1,MLS000569657-01,18,3.5171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccc(F)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1,NCGC00126034-01,18,2.7502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C(\O)Cc1ccccc1)c1nc2ccccc2[nH]1,MLS000534172-01,18,3.5983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C(O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1,MLS000036740-01,18,4.732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C(O)Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1,MLS000049007-01,18,4.0786,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C(O)COC(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1,MLS000057321-01,18,3.6228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C(O)Nc1ccc(Cl)cc1)c1nc2ccccc2[nH]1,MLS000077976-01,18,4.0786,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C(O)COC(=O)CCC1CCCCC1)c1nc2ccccc2[nH]1,MLS000098992-01,18,4.2593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1OCC(=O)OC/C(O)=C(\C#N)c1nc2ccccc2[nH]1,MLS000335268-01,18,2.9864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1OCC(=O)OC/C(O)=C(\C#N)c1nc2ccccc2[nH]1,MLS000335522-01,18,3.5946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C(/O)COC(=O)CSc1ccc(Cl)cc1)c1nc2ccccc2[nH]1,MLS000335544-01,18,4.3445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C(/O)COC(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1,MLS000390714-01,18,3.6312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1Nc1nnc(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)s1,MLS000392242-01,18,5.3598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C(/O)COC(=O)CSc1ccc2ccccc2c1)c1nc2ccccc2[nH]1,MLS000392484-01,18,4.8443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C(/O)COc1cccc2ccccc12)c1nc2ccccc2[nH]1,MLS000556304-01,18,4.5878,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C(=S)SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1)C1CCCCC1,MLS000590740-01,18,4.6382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1,MLS000520775-01,18,3.8415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccn2)CC1,NCGC00085752-01,2,1.2138,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ncccn2)CC1,NCGC00085762-01,2,0.9989,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1c2ccccc2[nH]c(=S)n1CCCN1CCN(C2CCCCC2)CC1,MLS000051382-01,18,3.3995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1ccc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1,MLS000090443-01,18,3.0037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccc(Cl)cc2)CC1,MLS000094652-01,18,3.3539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1,MLS000095354-01,18,2.9258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(Cc2ccccc2)CC1,MLS000095355-01,18,3.6926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)c1C,MLS000095366-01,18,3.5336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccc(Cl)cc2)CC1,MLS000095368-01,18,3.5702,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1,MLS000095370-01,18,3.1194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)cc1,MLS000530079-01,18,3.4866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O)NCc1ccccc1,MLS000583562-01,18,3.7725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2[nH]c(=S)n1CCc1ccccc1,MLS000665114-01,18,3.3018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1,MLS000520015-01,18,3.9638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccs2)on1,NCGC00047116-01,2,4.0393,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1CCOCC1)c1cc(-c2cccs2)on1,MLS000087250-01,18,1.4651,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccs2)on1,MLS000087274-01,18,4.0393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2cccs2)on1,MLS000087276-01,18,5.207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccs2)on1,NCGC00105538-01,18,4.6172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2cccs2)on1,NCGC00118786-01,18,4.9701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCCC2)cc1,MLS000401650-01,18,4.41,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)cc1,MLS000393524-01,18,4.3316,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCC2)cc1,MLS000394072-01,18,3.9415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)o3)ccc2N2CCCCC2)cc1,MLS000416559-01,18,4.64,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3cccs3)ccc2N2CCOCC2)cc1,MLS000417028-01,18,4.046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(S)=Nc3cccc(C)c3C)c2)cc1,MLS000417810-01,18,5.7424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1,MLS000707621-01,18,6.6918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1,MLS000707631-01,18,6.0384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1,NCGC00131269-01,18,4.7587,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1cccc2ccccc12)NNC(=O)Nc1ccccc1,MLS000324730-01,18,3.0715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc(NC(=O)COc2cccc3ccccc23)nc1C,MLS000067866-01,18,3.4088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNC(=O)COc1cccc2ccccc12,MLS000535855-01,18,2.3547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc2ccccc2c1Br)NNC(=O)Nc1ccccc1,MLS000537089-01,18,3.834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2cccc3ccccc23)c(C)c1,MLS000538762-01,18,3.4017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)c1C,MLS000544587-01,18,3.1885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1cccc2ccccc12,MLS000552400-01,18,3.7619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2ncnc(SCC(=O)NNC(=O)COc3cccc4ccccc34)c2c1C,MLS000555338-01,18,3.7798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1cccc2ccccc12)N1c2ccccc2CCc2ccccc21,MLS000556152-01,18,5.6821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)COc3cccc4ccccc34)cc12,MLS000556642-01,18,4.3886,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccnc(N2CCC(C(=O)NNC(=O)COc3cccc4ccccc34)CC2)n1,MLS000559666-01,18,2.381,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCCCCCC(=O)NNC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1,MLS000560334-01,18,3.4229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1cccc2ccccc12)NN=C/C=C/c1ccccc1,MLS000584395-01,18,4.034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)n2)c1,MLS000122354-01,18,4.3119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1,MLS000074672-01,18,4.1814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4OC)CC3)n2)c1,MLS000074682-01,18,4.1814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,MLS000099387-01,18,4.0681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)n2)c1,MLS000527727-01,18,4.6191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2nc(-c3ccccc3)cs2)CC1,MLS000527974-01,18,4.6105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(C(S)=Nc4ccccc4OC)CC3)n2)c1,MLS000549821-01,18,4.5668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(C(S)=Nc4cccc(Cl)c4)CC3)n2)c1,MLS000549823-01,18,5.2116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(C(S)=Nc4ccccc4Cl)CC3)n2)c1,MLS000549824-01,18,5.2116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(C(S)=Nc4ccccc4)CC3)n2)c1,MLS000555271-01,18,4.5582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(CC(=O)NNC(=O)c4ccc(Cl)cc4)CC3)n2)c1,MLS000555272-01,18,3.0553,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2csc(N3CCN(CC(=O)NNC(=O)c4ccc(Br)cc4)CC3)n2)c1,MLS000555291-01,18,3.1644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3)[nH]n2)c1,NCGC00125611-01,18,3.4767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1,MLS000119261-01,18,4.1994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1,NCGC00085050-01,2,3.9345,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,NCGC00085054-01,2,3.8112,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1,NCGC00085056-01,2,3.4747,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1,NCGC00085060-01,2,2.5078,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,NCGC00085062-01,2,4.2013,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCn2c1nc1ccccc12)c1ccc(C(C)C)cc1,NCGC00085080-01,2,4.0066,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1,NCGC00085084-01,2,4.1994,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)cc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)noc2C)c1,NCGC00085088-01,2,3.5001,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)cc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)c1,NCGC00085090-01,2,3.6929,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)cc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)c1,NCGC00085094-01,2,3.448,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2cccs2)cc1,MLS000521816-01,18,3.8411,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)c1,MLS000522920-01,18,4.4195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C(C)C)cc1,NCGC00109237-01,18,5.2676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCc2ccccc21,MLS000091778-01,18,2.6813,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCc2ccccc21,MLS000090822-01,18,3.5006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCc2ccccc21,MLS000118830-01,18,3.2248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCNC(=O)c1cc(-c2ccc(Br)cc2)on1,MLS000087027-01,18,3.2439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(-c2ccc(Br)cc2)on1,NCGC00085155-01,2,2.8907,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1nnc(N2CCCCCC2)s1)c1cc(-c2ccc(Br)cc2)on1,NCGC00085649-01,2,4.5883,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)on1,MLS000087029-01,18,3.4899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccnc1)c1cc(-c2ccc(Br)cc2)on1,MLS000116247-01,18,3.7514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(N2CCCCCC2)s1)c1cc(-c2ccc(Br)cc2)on1,MLS000119647-01,18,4.5883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCC(C)N1c1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)s1,MLS000522714-01,18,4.9752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCN1c1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)s1,MLS000522715-01,18,4.5867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCCC3)c2o1,MLS000065505-01,18,4.1515,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12,5389639,18,3.3102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12,5389637,18,3.437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12,5389391,18,3.0469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2c(CN3CCOCC3)c(O)ccc2c2c1CCCC2,5381219,18,2.2096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12,MLS000110271-01,18,4.0074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccccc1)CO3,NCGC00116340-01,18,4.8121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2oc(=O)cc(C)c12,NCGC00119649-01,18,3.4376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2c(CN3CCCC3)c(O)ccc2cc1-c1ccccc1,NCGC00134332-01,18,3.7614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(-c2ccccc2)c(=O)oc2c(CN3CCCC3)c(O)ccc12,NCGC00134334-01,18,4.0698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc3ccc(O)c(CN4CCCC4)c3oc2=O)cc1,NCGC00134336-01,18,3.77,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(Cc2c(O)ccc3cc(-c4ccccc4)c(=O)oc23)CC1,NCGC00134340-01,18,2.913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2c(CN3CCN(CCO)CC3)c(O)ccc2cc1-c1ccccc1,NCGC00134366-01,18,2.2755,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(-c2ccccc2)c(=O)oc2c(CN3CCN(C)CC3)c(O)ccc12,NCGC00141688-01,18,3.2214,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1,MLS000048874-01,18,4.7266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1,MLS000026884-01,18,5.7829,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc2c(c1)OCCO2,MLS000055110-01,18,4.742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1,MLS000087938-01,18,4.8023,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1,MLS000097153-01,18,4.6504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2[nH]nc3ccccc23)n1-c1ccccc1)Nc1ccccc1Cl,MLS000390279-01,18,5.1948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc[nH]1,MLS000390578-01,18,4.2374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2[nH]nc3ccccc23)n1-c1ccccc1)Nc1cccc(Cl)c1,MLS000408974-01,18,5.1948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)CSc2ccc(-c3cccs3)nn2)cc1,NCGC00122688-01,18,4.4983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2cccs2)nc2cc(=O)[nH]n12)Nc1ccccc1,NCGC00128797-01,18,2.8769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(Br)o1,MLS000036986-01,18,4.9102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2o1,MLS000049304-01,18,5.3009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccc(Br)o1,MLS000050978-01,18,4.9102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1,MLS000052436-01,18,4.73,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl,MLS000096726-01,18,5.2087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)o1,MLS000109356-01,18,5.1938,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,MLS000531571-01,18,4.2449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1,MLS000536235-01,18,5.3172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc(Br)ccc1Cl,MLS000536314-01,18,5.3172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=N/NC(N)=S)ccc1OCC(=O)Nc1ccc(C)cc1,6874331,18,2.1882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=N/NC(N)=S)ccc1OCC(=O)Nc1ccc(C)c(C)c1,6876210,18,2.4966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1c(Cl)cc(/C=N/NC(N)=S)cc1OC,6872653,18,1.9144,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(C)cc1,6872597,18,2.7497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccccc1,6871590,18,4.8676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br)Nc1ccccc1,6871588,18,4.9767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NOCC(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(Cl)cc1,MLS000374933-01,18,5.5336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1,MLS000537059-01,18,5.0738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNC(N)=O)cc(Br)c1OCc1ccc(C)cc1,MLS000545061-01,18,3.3473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NO)ccc1OCC(=O)Nc1cccc(C)c1,MLS000673025-01,18,3.2193,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(/C=N/NC(N)=S)cc1,NCGC00159389-02,18,0.8121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1nc(-c2cccs2)cs1,NCGC00077529-01,2,4.6238,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1Nc1ncc(-c2cccs2)s1,MLS000027748-01,18,4.6238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(Nc2nc(-c3cccs3)cs2)c1,MLS000090070-01,18,4.6324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc12,MLS000094860-01,18,4.6536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2ncc3c(O)nc(SCC(=O)N4CCN(c5ccccc5)CC4)nc32)cc1,NCGC00047920-01,2,3.2704,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1nc(SCc2ccccc2Cl)nc2c1cnn2-c1ccccc1,NCGC00080642-01,2,4.4668,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2c(c1)c1nnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)nc1n2CC(=O)O,3227817,18,2.9525,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCSc1nc(O)c2cnn(-c3ccccc3)c2n1,MLS000091818-01,18,3.8034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(C)Sc1nc(O)c2cnn(-c3ccc(C)cc3)c2n1,MLS000091844-01,18,2.8732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(C(=O)CSc2nc(O)c3cnn(-c4ccc(Cl)cc4)c3n2)CC1,MLS000101086-01,18,3.5251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nc(O)c2cnn(-c3ccc(C)cc3)c2n1,MLS000101100-01,18,2.9415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCSc1nc(O)c2cnn(-c3ccc(C)cc3)c2n1,MLS000101101-01,18,3.3316,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nc(O)c2cnn(-c3ccc(C)c(C)c3)c2n1,MLS000101134-01,18,3.416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)N1N=C(c2cccs2)CC1c1ccc(F)cc1,MLS000696595-01,18,5.1917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(O)c2cnn(-c3ccc(F)cc3)c2n1)Nc1nccs1,MLS000696635-01,18,2.8475,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(O)c2cnn(-c3ccc(F)cc3)c2n1)N1N=C(c2cccs2)CC1c1ccc(F)cc1,MLS000696645-01,18,5.3308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)Nc1cccc(F)c1,NCGC00136922-01,18,4.052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2nnc(SCC(=O)Nc3cccnc3Cl)s2)c1,4851382,18,4.3693,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCSc1nnc(NC(=O)Nc2ccc(F)cc2)s1,MLS000036538-01,18,3.8233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Nc1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1,MLS000390413-01,18,3.8646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(Nc2ccccc2)s1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1,MLS000393985-01,18,4.1871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1,MLS000394773-01,18,4.3262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)s2)cc1,MLS000395010-01,18,4.4955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c2ncccc2c(=O)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1,NCGC00128384-01,18,3.8447,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc1,MLS000582553-01,18,3.5724,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1,NCGC00100263-01,18,5.3744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(Br)cc2)cc1C,NCGC00105237-01,18,4.2052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)CC1,NCGC00106773-01,18,4.0796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c(C)n1Cc1ccccc1Cl,NCGC00114415-01,18,5.174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1cccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)cc2)c1,NCGC00128358-01,18,3.8562,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)c(C)c2)cc1,NCGC00128416-01,18,3.6194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccccc2C(F)(F)F)cc1C,NCGC00128420-01,18,4.4615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccccc2C(F)(F)F)cc1,NCGC00128478-01,18,4.4071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1,NCGC00129717-01,18,4.6284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-c1noc(-c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)n1,NCGC00119441-01,18,3.372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1,MLS000067791-01,18,4.3654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1,NCGC00119278-01,18,3.157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(-c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)n2)cc1,NCGC00119282-01,18,3.0722,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-],NCGC00119294-01,18,2.9708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])CC1,NCGC00119328-01,18,4.0045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(-c2ccc(N3CCCCC3C)c([N+](=O)[O-])c2)n1,NCGC00119452-01,18,3.332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1,NCGC00115097-01,18,3.4958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1,NCGC00039272-01,2,3.0828,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2c(CC(=O)Nc3nnc(C4CC4)s3)coc2c1,MLS000056082-01,18,3.3515,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2occ(CC(=O)Nc3nnc(C4CC4)s3)c2cc1C,MLS000569322-01,18,3.9597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2occ(CC(=O)Nc3c(C)cccc3C)c2c1,NCGC00114975-01,18,4.5393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2occ(CC(=O)Nc3nnc(C(C)C)s3)c2c1,NCGC00115047-01,18,3.8973,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)Cc2coc3cc(C)ccc23)sc2c1CCC2,NCGC00115085-01,18,4.2592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1,NCGC00115099-01,18,4.276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2occ(CC(=O)Nc3nnc(C)s3)c2c1,NCGC00115115-01,18,3.3363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)N2CC3CCCN3c3ccccc32)cc1,NCGC00113625-01,18,5.2909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)N2CC3CCCN3c3ccccc32)cc1C,NCGC00113615-01,18,4.3243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)N2CC3CCCN3c3ccccc32)cc1,NCGC00113645-01,18,4.7766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c(NC(=O)N2CC3CCCN3c3ccccc32)cc1Cl,NCGC00128724-01,18,4.3781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(C(F)(F)F)c1)N1CC2CCCN2c2ccccc21,NCGC00128752-01,18,4.7263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccccc2)c2cc(Cl)ccc23)cc1,NCGC00112250-01,18,4.9382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(Cl)cc12,ZINC8604460,16,4.7902,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+Cc1ccc(C)c(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)c1,MLS000722080-01,18,4.4707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)c1C,MLS000722090-01,18,4.4707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2cccc(C)c2)c2ccccc23)cc1,MLS000722123-01,18,4.4707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)c1,MLS000722169-01,18,4.4707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(Cl)cc12,NCGC00112246-01,18,4.7902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC(C)CC2)c2cc(Cl)ccc23)cc1C,NCGC00112306-01,18,4.6168,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc23)CC1,NCGC00112338-01,18,4.0989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2cccc(OC)c2)c2cc(Cl)ccc23)cc1,NCGC00112370-01,18,4.9468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(c2nc3c(S(=O)(=O)c4ccc(C)c(C)c4)nnn3c3ccc(Cl)cc23)CC1,NCGC00112400-01,18,4.7157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4ccccc4F)CC2)c2cc(Cl)ccc23)cc1C,NCGC00112404-01,18,4.8462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCCc2ccccc2)c2sccc23)cc1,NCGC00122900-01,18,4.3888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1=Nc2cc(C(=O)NC3CCCC3)ccc2Sc2ccc(C)cc21,NCGC00107609-01,18,6.0529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1=Nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2Sc2ccc(C)cc21,NCGC00107611-01,18,6.3191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=Nc2cc(C(=O)NC3CCCC3)ccc2Sc2ccc(Br)cc21,NCGC00107635-01,18,5.7268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1=Nc2cc(C(=O)NC3CCCC3)ccc2Sc2ccc(Br)cc21,NCGC00107637-01,18,6.1169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1=Nc2cc(C(=O)NCC(C)c3ccccc3)ccc2Sc2ccccc21,NCGC00107645-01,18,6.6056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CNC(=O)c2ccc3c(c2)N=C(C)c2cc(C)ccc2S3)cc1,NCGC00107919-01,18,6.0927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=Nc2cc(C(=O)NC3CCC(C)CC3)ccc2Sc2c(C)ccc(C)c21,NCGC00112028-01,18,6.2172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1=Nc2cc(C(=O)NCc3ccc(C)cc3)ccc2Sc2ccc(C)cc21,NCGC00140355-01,18,6.2288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1=Nc2cc(C(=O)NCc3ccccc3Cl)ccc2Sc2ccc(C)cc21,NCGC00140357-01,18,6.5738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=Nc2cc(C(=O)NC3CCCC3)ccc2Sc2ccc(Cl)cc21,NCGC00140379-01,18,5.6177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2oc(-c3cc(NC(=O)c4cccs4)ccc3Cl)nc2c1,NCGC00103100-01,18,6.0244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2oc(-c3cc(NC(=O)/C=C/c4ccco4)ccc3Cl)nc2c1,NCGC00098225-01,18,5.7015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1cc2ccccc2o1,NCGC00098257-01,18,6.8001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccco1)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1,NCGC00098259-01,18,6.0465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1,NCGC00102437-01,18,5.7077,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)c2cccs2)cccc1-c1nc2cc(Cl)ccc2o1,NCGC00118962-01,18,5.7704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1,NCGC00099019-01,18,5.4685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1OC,MLS000109439-01,18,4.7072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3o2)cc1,MLS000573903-01,18,4.5591,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccc(F)cc1,NCGC00098562-01,18,5.5705,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,NCGC00066978-01,2,4.1749,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1cccnc1,1086290,18,5.3879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1SCC(=O)c1cccs1,MLS000375004-01,18,5.6733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1coc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2C#N)n1,MLS000537027-01,18,5.3197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1,MLS000537439-01,18,5.6279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccc(Cl)nc1,MLS000544809-01,18,6.0413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1,NCGC00098209-01,18,4.6539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cnnn2-c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)cc1,5868600,18,4.612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c([N+](=O)[O-])c1,5736871,18,3.654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cn1,MLS000389060-01,18,2.8812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,MLS000561378-01,18,3.871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(S)=NC(NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1,MLS000573668-01,18,4.9188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1,MLS000574264-01,18,3.654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(/C=C/C(=O)Nc2ccc3[nH]c(O)nc3c2)cc1,MLS000586016-01,18,3.3191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)Nc2cc(C)on2)cc1,MLS000680731-01,18,2.6435,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1,NCGC00104037-01,18,6.5349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3s2)cc1,MLS000723354-01,18,5.8364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3o2)c1OC,4249681,18,5.3765,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)cc1,MLS000663972-01,18,5.1037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3cccs3)=NN2c2ccc(C=O)cc2)cc1,MLS000680495-01,18,4.9249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2s1)N1N=C(c2cccs2)CC1c1ccc(F)cc1,MLS000723314-01,18,5.9669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)CC1c1ccc(F)cc1,MLS000723324-01,18,5.4984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3o2)cc1,MLS000723344-01,18,5.6677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3ccc(Br)cc3)=NN2C(=O)CSC2=NCCS2)cc1,MLS000723363-01,18,4.9714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2cccs2)cc1,MLS000696944-01,18,6.2965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N=C(S)N(CCc1c(C)[nH]c2ccccc12)Cc1cccs1,MLS000529808-01,18,6.2086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(S)=Nc3ccccc3)c2c1,MLS000529828-01,18,6.2086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(S)=Nc3cccc(F)c3)c2c1,MLS000529839-01,18,6.3477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(S)=Nc3ccc(F)cc3)c2c1,MLS000529849-01,18,6.3477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2cccnc2)cc1,MLS000696874-01,18,6.0201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2cccnc2)cc1,MLS000696903-01,18,5.7117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2cccs2)c1,MLS000696933-01,18,5.9881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2cccs2)c1,MLS000696934-01,18,6.2965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2cccs2)c1,MLS000696943-01,18,5.9967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)c1,MLS000724572-01,18,5.5196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)cc1,MLS000724592-01,18,5.9097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2ccco2)cc1,MLS000724622-01,18,5.828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)Cc2ccc(-n3cccc3)cc2)cc1,MLS000584868-01,18,3.6446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(-n2cccc2)cc1)NCc1cccs1,MLS000047178-01,18,3.3977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCC1,MLS000047179-01,18,3.4687,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1,MLS000335849-01,18,4.2125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)COC(=O)c2ccc(Br)cc2)cc1,MLS000392110-01,18,3.2307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCCC1,MLS000521284-01,18,3.8588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1,MLS000576794-01,18,4.5209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1,MLS000584869-01,18,4.2209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c(C)c1,MLS000584872-01,18,4.2753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=O)Cc2ccc(-n3cccc3)cc2)c(C)c1,MLS000584873-01,18,4.5838,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1,MLS000584874-01,18,4.2753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)cc1,NCGC00121170-01,18,2.2409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CCC(=O)NN=C/C=C/c2ccccc2)cc1,MLS000584336-01,18,3.5291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C/C=C/c1ccccc1,7245310,18,1.5188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)cc1,MLS000566459-01,18,4.9608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)/C=C/c2ccccc2)cc1,MLS000575867-01,18,4.8042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C/c1ccccc1)=NNC(=O)CCC(=O)Nc1ccccc1C,MLS000576477-01,18,3.9192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCC(=O)Nc1ccccc1)NN=C/C=C/c1ccccc1,MLS000576488-01,18,3.2207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C/C=C/c1ccccc1)=NNC(=O)CNc1ccc(C)cc1,MLS000578143-01,18,4.1686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(Cl)cc1)NN=C/C=C/c1ccccc1,MLS000584284-01,18,2.8852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NNC(=O)CCSc2ccccc2)cc1,MLS000584813-01,18,3.6275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1,MLS000585431-01,18,2.4778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccs1)NN=C/C=C/c1ccccc1,MLS000589733-01,18,3.106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1,MLS000722231-01,18,4.9608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1,MLS000578317-01,18,3.3218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21,MLS000418574-01,18,3.9635,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1N1CCCCC1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,MLS000564255-01,18,4.7298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cccc1[N+](=O)[O-],MLS000577980-01,18,3.6302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-],MLS000578013-01,18,3.7205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)N1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1,MLS000578044-01,18,3.0623,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1Br,MLS000672934-01,18,3.4211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1,MLS000672986-01,18,2.6837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccccc1[N+](=O)[O-],MLS000678780-01,18,3.3218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cccc(Br)c1,MLS000578108-01,18,5.0053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(Br)cc1,MLS000392376-01,18,4.792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1Cn1cc(Cl)cn1,MLS000544285-01,18,4.1198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc([N+](=O)[O-])s1)c1cccc(Br)c1,MLS000546648-01,18,3.1827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=CC1C(c2ccccc2)C1(Cl)Cl)c1cccc(Br)c1,MLS000562684-01,18,4.7522,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1cncc(Br)c1,MLS000573025-01,18,3.5559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C1c2ccccc2-c2ccccc21)c1cccc(Br)c1,MLS000576036-01,18,4.6119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NN=Cc1cccc(Oc2ccccc2)c1,MLS000583438-01,18,4.773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1CSc1ccccn1,MLS000589826-01,18,4.9089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)C(=O)NN=Cc1cccc(Br)c1,MLS000700018-01,18,1.8155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2ccccc2c1C=NNC(=O)c1cccc(Br)c1,MLS000704208-01,18,4.3748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)c2ccccc2)cc1,MLS000560312-01,18,4.9028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2Cc2ccco2)cc1,NCGC00028035-01,2,5.4288,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2Cc2ccco2)cc1,MLS000029554-01,18,5.4288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc21)c1ccccc1,MLS000098293-01,18,4.2458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Cn2c(C(=O)/C=C/c3ccccc3)nc3ccccc32)cc1,MLS000324911-01,18,4.8239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1)c1ccccc1,MLS000520753-01,18,3.7554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nn2c(SCC(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1,MLS000520800-01,18,4.4174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Cn2c(NCCO)nc3ccccc32)c1,MLS000528068-01,18,2.9099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)c2nc3ccccc3n2CC(=O)c2ccc(OC)cc2)cc1,MLS000545156-01,18,4.8325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Cn2c(C(=O)/C=C/c3ccccc3)nc3ccccc32)cc1,MLS000545812-01,18,5.1237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1,MLS000579934-01,18,5.6895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1,MLS000556209-01,18,4.4872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1,MLS000335143-01,18,4.5166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2cccc([N+](=O)[O-])c2)cc1,MLS000335144-01,18,4.3861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1,MLS000374593-01,18,3.1213,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1,MLS000401600-01,18,3.5851,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1,MLS000418868-01,18,4.3775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,MLS000545767-01,18,4.2857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1,MLS000559822-01,18,4.4872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-],MLS000569041-01,18,4.7956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)cc1,MLS000547105-01,18,5.1297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)nc2ccccc12,MLS000052038-01,18,4.7874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccccc2)cc1,MLS000389866-01,18,4.246,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)n2-c2ccccc2)cc1,MLS000389900-01,18,4.246,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(CSc3nnc(COc4cccc5ccccc45)n3-c3ccccc3)o2)cc1,MLS000526741-01,18,6.6502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(COc2ccccc2)o1)c1ccccc1,MLS000537349-01,18,3.6236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CSc2nnc3c4ccccc4nc(Cc4ccccc4)n23)cc1,MLS000559383-01,18,5.1517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)c1ccc(F)cc1,NCGC00103076-01,18,5.8109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccccc1,NCGC00103078-01,18,5.057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C)c(C)c2cc(C(=O)Nc3cccc(Cl)c3)ccc21,MLS000544481-01,18,5.1837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(C2CC2)s1)c1ccc(S(=O)(=O)c2ccccc2)cc1,MLS000537776-01,18,3.5006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)c(C)c1Cl,MLS000057070-01,18,4.1237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(C(=O)Nc2nnc(C3CC3)s2)csc1C,MLS000065631-01,18,3.6001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)cs1,MLS000065732-01,18,4.208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccccc2)nn1-c1ccccc1,MLS000098258-01,18,4.5205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(C(=O)Nc2nnc(C3CC3)s2)cc([N+](=O)[O-])c1,MLS000335393-01,18,2.3626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(C2CC2)s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1,MLS000336466-01,18,3.5663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCN(c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2[N+](=O)[O-])C1,MLS000390939-01,18,3.8123,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(C2CCCO2)s1)c1ccc(Br)cc1,MLS000537919-01,18,3.4044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(C2CC2)s1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl,MLS000565220-01,18,3.8321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(C2CC2)s1,MLS000583258-01,18,2.5049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1,MLS000417039-01,18,5.7417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3OC)c2)c1,MLS000417011-01,18,5.3602,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1,MLS000544783-01,18,7.1517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1,MLS000545894-01,18,6.4983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2sccc21,MLS000116432-01,18,3.716,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NCc3ccco3)cc2)c(=O)c2sccc21,NCGC00085353-01,2,3.5858,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2sccc21,NCGC00085355-01,2,3.716,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C)c(Cn2c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c(=O)c3sccc32)c1,MLS000522396-01,18,4.3309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1COc2ccccc2O1,MLS000100918-01,18,3.3173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1COc2ccccc2O1,NCGC00080730-01,2,3.3173,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)C2COc3ccccc3O2)no1,NCGC00085847-01,2,1.7615,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1COc2ccccc2O1,MLS000100922-01,18,4.1983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccncc2)cs1)C1c2ccccc2Oc2ccccc21,MLS000336181-01,18,5.0814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)C1COc2ccccc2O1,MLS000543751-01,18,4.9157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccccc2Cl)s1)C1COc2ccccc2O1,MLS000544409-01,18,4.2623,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CSc1nnc(NC(=O)C2COc3ccccc3O2)s1,MLS000582296-01,18,3.9173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C/C=C/c1ccc2c(c1)OCO2)C1COc2ccccc2O1,MLS000592187-01,18,2.3705,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(NC(=O)CCSc2ccccc2)s1,MLS000099884-01,18,2.9674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CCC(=O)Nc2nnc(C)s2)o1,MLS000064780-01,18,2.5732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(SCCC(=O)Nc2nc(-c3ccccc3)ns2)s1,MLS000088132-01,18,3.4859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)s1,MLS000100933-01,18,4.5803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(NC(=O)CSc3ccccc3)s2)cc1OC,MLS000331651-01,18,3.9531,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)s1,MLS000556748-01,18,4.5682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCSc1ccccc1)Nc1ccc(OCc2ccccc2)cc1,MLS000573394-01,18,5.3865,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccccc1)Nc1nnc(/C=C/c2ccccc2)s1,MLS000580100-01,18,4.4393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CSC3)cc1,MLS000087880-01,18,5.7966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c1,NCGC00046853-01,2,4.5353,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2,NCGC00085822-01,2,3.621,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1,MLS000087888-01,18,4.2413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccc(Br)cc2)s1,MLS000529770-01,18,5.8367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1,MLS000529780-01,18,6.381,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1,MLS000534082-01,18,5.6514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2,MLS000547888-01,18,4.8409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1,NCGC00137193-01,18,3.1824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2)c1ccccc1,NCGC00137195-01,18,3.435,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2,NCGC00137255-01,18,2.9832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2,NCGC00137257-01,18,3.3733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)cc1,MLS000086568-01,18,3.3764,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)s1,3238428,18,3.5836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-n1c(SCC(=O)Nc2nnc(C)s2)nc2c(c1=O)SCC2,2155250,18,2.78,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3sc4c(c3c2=O)CCN(C)C4)cc1,MLS000082613-01,18,3.631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCSc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2,MLS000086578-01,18,3.7815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1nccs1,MLS000086592-01,18,3.7214,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)o1,MLS000086596-01,18,4.3151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc3c(c2=O)SCC3)cc1,MLS000101285-01,18,3.3302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2nc(SCC(=O)Nc3nccs3)n(Cc3ccccc3)c(=O)c2S1,MLS000101665-01,18,3.5156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(Cc3cc(=O)oc4cc(-c5ccccc5)c(O)cc34)CC2)cc1,MLS000083465-01,18,4.4964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1,MLS000058135-01,18,4.0856,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(Cc3cc(=O)oc4c3ccc3ccccc34)CC2)cc1,MLS000083463-01,18,4.277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)CC2)cc1,MLS000083464-01,18,4.277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(CN2CCN(c3ccccc3)CC2)c2c(ccc3ccccc32)o1,MLS000083469-01,18,4.2684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(Cl)cc34)CC2)cc1,MLS000083766-01,18,3.7772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NCc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)c1,MLS000331028-01,18,4.7863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NCc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)c1,MLS000331038-01,18,5.3945,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1,MLS000551812-01,18,4.9966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(C)cc34)CC2)cc1,MLS000559013-01,18,3.4322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2cc3c(cc2o1)CCCC3,MLS000559015-01,18,4.1331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(CN2CCN(c3ccccc3F)CC2)c2cc3c(cc2o1)CCCC3,MLS000559016-01,18,4.1331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccco1,MLS000082402-01,18,4.4555,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1,NCGC00070960-01,2,4.517,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1sc2nc(SCC(=O)c3cccs3)n(Cc3ccco3)c(=O)c2c1C,MLS000051842-01,18,4.7526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCc4ccccc43)nc2s1,MLS000052190-01,18,4.4792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(SCC(=O)NCc3ccco3)nc(O)c2c1C,MLS000100752-01,18,3.0152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SCC(=O)Nc2ccccc2OC)nc(=O)c(CC)c1O,MLS000106072-01,18,2.4367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)CSc1nnc(Cc3cccs3)n1Cc1ccco1)oc1ccccc12,MLS000537979-01,18,6.2105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1,MLS000558031-01,18,5.3169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)c1,MLS000558032-01,18,5.3169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(SCc3ccccc3)n(Cc3ccco3)c(=O)c2c1C,MLS000558552-01,18,5.0084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1,MLS000068850-01,18,4.3948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1,NCGC00084950-01,2,0.3214,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1,NCGC00085036-01,2,2.6578,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,NCGC00085815-01,2,2.765,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1,MLS000536620-01,18,5.1058,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1,MLS000568168-01,18,2.6499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1cccc(NC(=S)N2CCN(c3ccccc3)CC2)c1,MLS000573862-01,18,4.2244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,NCGC00114998-01,18,4.6559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,NCGC00115000-01,18,5.4709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1,NCGC00115022-01,18,4.3667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccccc1,1244674,18,4.3795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccccc1,2219687,18,4.395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nc(C)oc2NCc2ccccc2)cc1,747408,18,3.7363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccccc1,701007,18,3.1399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1Nc1ccccc1,MLS000581722-01,18,4.511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(F)cc1,MLS000724805-01,18,4.7892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2Br)oc1NCc1ccccc1,NCGC00099281-01,18,6.2024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1NCc1ccccc1,NCGC00101134-01,18,4.9256,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1,2435045,18,2.6197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)OC(C)C(=O)NCCC2=CCCCC2)cc1C,4983606,18,2.9716,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)c1cccc(F)c1)NCCC1=CCCCC1,2435108,18,2.1054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCC1=CCCCC1,MLS000057296-01,18,2.9216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NCCC1=CCCCC1,MLS000392162-01,18,4.5565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)/C=C/c1cccc(Br)c1)NCCC1=CCCCC1,MLS000417534-01,18,4.0122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCCC1=CCCCC1,MLS000566752-01,18,4.3221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(OCC(O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,NCGC00085757-01,2,2.1754,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1ccc(OCC(O)CN2CCOCC2)cc1,NCGC00085729-01,2,0.9611,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1ccc(OCC(O)CN2CCC(C)CC2)cc1,NCGC00085731-01,2,2.3608,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1ccc(OCC(O)CN2C(C)CCCC2C)cc1,NCGC00085733-01,2,2.8918,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1ccc(OCC(O)CN2CCCC(C)C2)cc1,NCGC00085751-01,2,2.3608,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1,NCGC00085753-01,2,2.4467,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCN(CC(O)COc2ccc(C(C)=O)cc2)CC1,NCGC00085755-01,2,1.2664,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCN(CC(O)COc2ccc(C(C)=O)cc2)CC1,NCGC00085759-01,2,1.904,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1ccc(OCC(O)CN2CCN(CCO)CC2)cc1,NCGC00085763-01,2,0.2388,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1ccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)cc1,NCGC00085844-01,2,2.6428,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2cc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)oc3nc2c1,3242345,18,3.6763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1743345,18,4.2408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)oc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCCCC3)ccc21,NCGC00085126-01,2,2.0336,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc3ccco3)ccc2n(C)c1=O,NCGC00084740-01,2,1.0362,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1csc(NC(=O)C(CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1,NCGC00085045-01,2,2.2281,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccnc1,NCGC00085047-01,2,1.5359,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCc2ccccc21,NCGC00085065-01,2,3.0183,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CC(C)CN(C(=O)C(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)C1,NCGC00085148-01,2,1.9389,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccccc2F)CC1,NCGC00085150-01,2,1.9223,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,NCGC00085152-01,2,1.2349,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc3ccco3)ccc2n(C)c1=O,5307181,18,1.0362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCc2ccccc21,MLS000118026-01,18,3.0183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCc2ccccc21,MLS000523086-01,18,2.7253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)oc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc3ccccc3Cl)ccc21,NCGC00110078-01,18,2.9909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccc(F)c(Cl)c1,NCGC00141739-01,18,2.9627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4Cl)c(=O)c3c2)c1,NCGC00140487-01,18,4.5291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccc(C)cc4)c(=O)c3c2)cc1,NCGC00107972-01,18,4.1297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCC3)c(=O)c2c1,NCGC00108036-01,18,3.9631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)c1,NCGC00108044-01,18,3.9182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4)c(=O)c3c2)c1,NCGC00108046-01,18,4.0082,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCC4)c(=O)c3c2)cc1,NCGC00108078-01,18,4.1247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4)c(=O)c3c2)cc1,NCGC00108098-01,18,4.5148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2c1=O,NCGC00108280-01,18,4.0201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3c2=O)cc1,NCGC00140407-01,18,4.2267,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCSCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2c1=O,NCGC00140447-01,18,3.9907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O,NCGC00140489-01,18,3.8843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3c2=O)cc1,NCGC00141979-01,18,4.6907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CCCCC3)cc2c1C,NCGC00139802-01,18,3.8544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,MLS000096093-01,18,1.7541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12,MLS000393814-01,18,3.5323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCCC3)cc12,MLS000521647-01,18,4.3331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCCCC3)cc12,MLS000522075-01,18,4.7232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)N2CCc3ccccc3C2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12,MLS000585982-01,18,4.5044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(OC)c1,NCGC00125839-01,18,3.1495,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CN2C(=O)N(c3cc(C)ccc3C)S(=O)(=O)c3ccccc32)cc1,NCGC00138255-01,18,4.3302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1N1C(=O)N(CC(=O)c2ccc(Cl)cc2)c2ccccc2S1(=O)=O,NCGC00138261-01,18,4.9206,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C(=O)CN2C(=O)N(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc32)c1,NCGC00138523-01,18,4.3388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc2nc(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cn12,NCGC00134031-01,18,4.3111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1,MLS000085293-01,18,4.172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)cn12,NCGC00133995-01,18,5.2769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc2nc(-c3cccc(NC(=O)c4c(F)cccc4F)c3)cn12,NCGC00134001-01,18,4.9017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)cn12,NCGC00134005-01,18,4.7626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1C,NCGC00134041-01,18,4.1806,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4ccccc4Br)CC3)ccc21,NCGC00131995-01,18,3.8693,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1,NCGC00131867-01,18,3.3787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)c1,NCGC00131903-01,18,3.4386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)Nc4ccc(Br)cc4)CC3)ccc21,NCGC00131997-01,18,3.8693,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)N2CCc3c(sc4c3CCCC4)C2c2ccc(F)cc2)cc1,NCGC00131756-01,18,5.9542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)N2CCc3c(sc4c3CCCC4)C2c2ccccc2OC)cc1,NCGC00122487-01,18,5.8237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)N1CCc2c(sc3c2CCCC3)C1c1ccccc1,NCGC00131692-01,18,6.1149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)N1CCc2c(sc3c2CCCC3)C1c1ccccc1,NCGC00131702-01,18,5.4842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1Cl)C2c1ccc(OC)cc1,NCGC00131732-01,18,6.4605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1C(=O)OC)C2c1ccc(OC)cc1,NCGC00131734-01,18,5.5937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1C)C2c1ccc(OC)cc1,NCGC00131736-01,18,6.424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)N2CCc3c(sc4c3CCCC4)C2c2ccc(F)cc2)c1,NCGC00131758-01,18,6.254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1ccc(NC(=O)N2CCc3c(sc4c3CCCC4)C2c2ccc(F)cc2)cc1,NCGC00131760-01,18,6.0512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1C(=O)OC)C2c1ccc(F)cc1,NCGC00131766-01,18,5.7242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1OC)C2c1ccc(F)cc1,NCGC00131770-01,18,6.2546,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)NCc3ccccc3)cc2)C1=O,NCGC00129376-01,18,4.0282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)C1=O,NCGC00129068-01,18,4.798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)NCc3ccccc3F)cc2)C1=O,NCGC00129070-01,18,4.1673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4cccc(F)c4)cc3)S2(=O)=O)cc1,NCGC00129074-01,18,4.1898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4cc(C)ccc4C)cc3)S2(=O)=O)cc1,NCGC00129078-01,18,4.6675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4ccc(F)cc4C)cc3)S2(=O)=O)cc1,NCGC00129104-01,18,4.4982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)Nc3ccccc3C)cc2)C1=O,NCGC00129384-01,18,4.6589,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1,NCGC00116392-01,18,4.7461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(O)c(-c2n[nH]c3c2C(c2ccc(F)cc2)N(Cc2ccco2)C3=O)c1,NCGC00116271-01,18,4.5682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(O)c(-c2n[nH]c3c2C(c2ccccc2F)N(Cc2ccco2)C3=O)c1,NCGC00116275-01,18,4.5682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(-c2n[nH]c3c2C(c2ccccc2F)N(Cc2ccco2)C3=O)c(O)c1,NCGC00116396-01,18,4.8766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)on1,NCGC00105753-01,18,5.2661,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(O)cc2)on1,NCGC00083084-01,2,4.2613,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc(O)c2)on1,MLS000087175-01,18,4.3183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Br)c1)c1cc(-c2ccc3c(c2)OCCO3)on1,NCGC00118911-01,18,4.1276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1SCc1ccccc1F,NCGC00104634-01,18,6.3207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,NCGC00104564-01,18,4.9753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1,NCGC00104598-01,18,5.2837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1,NCGC00104660-01,18,4.7203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Br)cc1)c1nc(-c2cccs2)oc1SCc1ccc(F)cc1,NCGC00104664-01,18,6.4298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Br)cc1)c1nc(-c2cccs2)oc1SCc1ccccc1F,NCGC00104666-01,18,6.4298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(F)cc1,NCGC00102606-01,18,5.3538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCc1ccccc1Cl,MLS000392572-01,18,5.3868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCc1ccc(Cl)cc1,MLS000392597-01,18,5.3868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1,MLS000552980-01,18,5.9772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccccc1,MLS000581661-01,18,5.4775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c1,NCGC00102584-01,18,3.9441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)cc(OC)c1,NCGC00100009-01,18,5.5386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(NC(=O)N2c3ccccc3Sc3ccccc32)=N1,MLS000111099-01,18,3.6283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1,MLS000550752-01,18,5.3123,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(C(=O)NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1,MLS000560297-01,18,5.3209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21,MLS000574501-01,18,5.308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2c3ccccc3Sc3ccccc32)c1,MLS000582115-01,18,5.0946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc43)nc(C)c2c1,MLS000587809-01,18,4.9055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21,NCGC00100005-01,18,5.53,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)N2c3ccccc3Sc3ccccc32)c1,NCGC00100007-01,18,5.5386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21,NCGC00100011-01,18,5.9201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)cc(OC)c1,NCGC00129715-01,18,3.6268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1,NCGC00099568-01,18,4.7994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(OC)c1,MLS000110112-01,18,3.2665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2ccc(C)cc2C)cc1,MLS000578897-01,18,6.1129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1,MLS000579227-01,18,5.8044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1,MLS000580038-01,18,3.4257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1Cl,MLS000581171-01,18,3.9692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(Cl)c(Cl)c2)cc1,MLS000582693-01,18,4.5316,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1,MLS000582938-01,18,4.0542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1,NCGC00099757-01,18,4.7543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCCC2)c2ccccc23)cc1,MLS000722168-01,18,3.409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(O)c2ccccc23)cc1,MLS000044860-01,18,2.9393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCCC2)c2ccccc23)cc1,MLS000722079-01,18,4.224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N2CCCCC2)c2sccc23)c1,NCGC00122960-01,18,3.7789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1,MLS000696925-01,18,3.3031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1,MLS000552977-01,18,2.826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)Cc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1,MLS000578590-01,18,3.2161,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1,MLS000724732-01,18,4.4975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1,MLS000724752-01,18,5.2761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)cc1,MLS000588186-01,18,3.9115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc3oc(Nc4ccc5c(c4)OCCO5)nc3c2)cc1,NCGC00038835-01,2,4.152,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1nc(Nc2ccc3c(c2)OCO3)nc(OC)n1,NCGC00085583-01,2,1.3611,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccc3c(c2)OCO3)cc1,ZINC9009292,16,3.78,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OC,MLS000044937-01,18,2.2333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc3oc(Nc4ccc5c(c4)OCCO5)nc3c2)cc1,MLS000055116-01,18,4.152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(c3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)CC2)cc1,MLS000567691-01,18,3.7658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccc3c(c2)OCO3)cc1,MLS000580367-01,18,3.78,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccc3c(c2)OCO3)c1,MLS000580422-01,18,4.0798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccc3c(c2)OCO3)cc1C,MLS000588058-01,18,4.3882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1ccc(F)cc1,MLS000588063-01,18,4.042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1ccccc1,MLS000588655-01,18,3.9029,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2OC(=O)c2ccccc2)cc1,MLS000587861-01,18,5.3774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccn1,9568652,18,3.4125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Oc2oc(-c3ccco3)nc2C=Nc2ccc(Cl)cc2)cc1,1905664,18,5.8662,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Oc2oc(-c3ccco3)nc2C=Nc2ccccc2)cc1,1903139,18,5.2128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N=Cc2nc(-c3ccccc3)oc2OC(=O)c2ccccc2)cc1,1870020,18,5.32,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Oc2oc(-c3ccccc3)nc2C=Nc2ccc(N(C)C)cc2)cc1,1559125,18,5.6858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Oc1oc(-c2ccccc2)nc1C=Nc1ccccc1,915860,18,4.0175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1oc(-c2ccco2)nc1C=Nc1ccccc1)c1ccco1,660829,18,4.4974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1oc(-c2ccco2)nc1C=Nc1ccccc1)c1ccoc1,659095,18,4.4974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N=Cc2nc(-c3ccccc3)oc2OC(C)=O)cc1,658778,18,4.1942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N=Cc1nc(-c2ccccc2)oc1OC(C)=O,658724,18,4.0261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1oc(-c2ccco2)nc1C=Nc1ccc(Cl)cc1)c1ccco1,MLS000552773-01,18,5.1508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1ccccc1,MLS000581329-01,18,4.8777,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1,MLS000390288-01,18,5.4628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1,MLS000557685-01,18,4.8935,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1C,MLS000574258-01,18,5.5848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1,MLS000588189-01,18,4.7301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c1,MLS000588192-01,18,4.3862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)cc1,MLS000589690-01,18,4.3043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)cc2)n1,MLS000572245-01,18,5.8158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12,MLS000336759-01,18,5.3647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccccc2)nc2ccccc12,MLS000374324-01,18,5.2256,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)c1cc(-c2ccccc2)nc2ccccc12,MLS000393298-01,18,5.4049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12,MLS000408819-01,18,6.0583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1,MLS000690361-01,18,3.9668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2Cl)cs1,MLS000536093-01,18,3.2799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1Cl,MLS000393010-01,18,4.2393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncnc2ccccc12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,MLS000417604-01,18,4.1886,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)cc1,MLS000394685-01,18,4.3389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCCCC1,MLS000417624-01,18,3.8436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1,MLS000707627-01,18,4.7068,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1,MLS000409145-01,18,4.3618,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1,MLS000050472-01,18,3.9449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1,MLS000401670-01,18,3.7839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)c1,MLS000568953-01,18,4.1931,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1,MLS000581884-01,18,3.5263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1O,MLS000409144-01,18,2.3804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,Curcumin,15,3.3699,Shoichet Lab In House Data - Allison Doak
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,AB02540564-01,18,3.3699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC#N,MLS000336236-01,18,2.5639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,MLS000394827-01,18,3.5586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)ccc1O,MLS000402331-01,18,4.3882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,MLS000408889-01,18,1.5596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccccc1,MLS000394703-01,18,0.9276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)Cc1cccc2ccccc12,MLS000393896-01,18,4.0472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1OC,MLS000564628-01,18,0.2177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)CSc2nc(-c3ccccc3)cs2)c2ccccc2N1,MLS000394633-01,18,3.8875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(C#N)c(SCC(=O)N3CC(=O)Nc4ccccc43)nc12,NCGC00034980-01,2,3.4923,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21,3331758,18,3.5237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c2ccccc2N1,2089180,18,3.7995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1,MLS000121175-01,18,3.1925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1,MLS000122069-01,18,3.8007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c2ccccc2N1,MLS000334381-01,18,3.6613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)c2ccccc2N1,MLS000335064-01,18,4.1756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2N1,MLS000557220-01,18,4.5409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2scc(-c3ccccc3)c2c1=O,MLS000569769-01,18,4.3884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC)cc1,MLS000391705-01,18,4.4626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2cc(C(=O)c3ccccc3)c(C)oc2=O)cc1,1473622,18,3.4401,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)Nc1ccccc1OC,MLS000416298-01,18,5.3835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,MLS000538821-01,18,5.0459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccccc1,MLS000722321-01,18,5.2358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccc(Cl)cc1,NCGC00114575-01,18,5.4991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccc(F)cc1,NCGC00114577-01,18,4.9848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Nc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1ccccc1,MLS000324482-01,18,4.9788,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C\c1ccccc1OCc1ccccc1,5394508,18,2.4327,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(C)C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1,MLS000543476-01,18,4.9874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(C)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1,MLS000585031-01,18,4.9874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(C)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1,MLS000585040-01,18,4.9874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)-c1nc(NC(=O)c3cccs3)sc1CC2,MLS000114081-01,18,4.2311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccs1,MLS000100897-01,18,4.0163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)-c1nc(N=Cc3c(O)ccc4ccccc34)sc1CC2,MLS000555090-01,18,5.5267,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Cl)cc3)nc1-2,NCGC00101735-01,18,4.823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Cl)cc3)sc1CC2,NCGC00101737-01,18,4.823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)-c1nc(NC(=O)c3cccc(Br)c3)sc1CC2,NCGC00101739-01,18,4.9321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(C)cc3)sc1CC2,NCGC00101741-01,18,4.478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)CCc1sc(NC(=O)c3cccc(Br)c3)nc1-2,NCGC00141048-01,18,4.9321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)Cc1sc(NC(=O)c3cccc(Br)c3)nc1-2,NCGC00141946-01,18,4.7377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Br)cc3)nc1-2,NCGC00141948-01,18,4.9321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2ccccc2s1)c1ccc(Cl)s1,MLS000100578-01,18,4.2635,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1oc2cc(=O)ccc-2cc1C(=O)Nc1nc2ccccc2s1,839689,18,3.1888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2nc3ccccc3s2)s1,MLS000065715-01,18,3.9185,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)s1,MLS000102836-01,18,4.1723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2ccc(Cl)cc2s1)c1ccco1,MLS000528609-01,18,3.795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc2ccc3nc(NC(=O)c4ccc(Cl)s4)sc3c2s1,MLS000530040-01,18,5.5951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2ccccc2s1)C1c2ccccc2Oc2ccccc21,MLS000585361-01,18,5.1726,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCNc1nc(-c2sc(NC(=O)CC)nc2C)cs1,MLS000062177-01,18,3.5214,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3Cl)n2)s1,MLS000561569-01,18,6.5301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1,665561,18,3.9911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1,9551645,18,4.1604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C[C@H](N)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1,6603229,18,2.6503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CS(=O)(=O)c2nnc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1,2010180,18,4.1604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2ccccc2)o1,666554,18,3.852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCC(=O)O)o1,666348,18,3.0548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1,665535,18,1.8248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(C)c2)o1,665480,18,3.9638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cc(C)ccc2C)o1,664366,18,4.2722,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CS(=O)(=O)c1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1,663900,18,3.9638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,663743,18,4.0578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1,MLS000558923-01,18,5.5065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C(OC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1,2926382,18,4.5456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)C(OC(=O)CNC(=O)c1cc(C)cc(C)c1)c1ccccc1,4660908,18,4.2735,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)C(OC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1,4603737,18,4.4191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1)OC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1,4438641,18,5.0118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NCC(=O)OC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)ccc1[N+](=O)[O-],4437145,18,5.2284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1)OC(C(=O)c1ccccc1)c1ccccc1,4413995,18,3.5838,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)C(OC(=O)CNC(=O)c2ccco2)c2ccccc2)cc1,3250046,18,3.1854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccco1)OC(C(=O)c1ccccc1)c1ccccc1,2997975,18,3.1768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)C(OC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1,MLS000334711-01,18,5.4489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C(OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1,MLS000576727-01,18,3.7584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C(OC(=O)COc2ccccc2C)c2ccccc2)cc1,MLS000576737-01,18,4.8496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12,5389511,18,3.7003,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12,5622697,18,4.0904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12,5541651,18,4.3364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O,5389605,18,4.0087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12,5389495,18,2.8519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2c(CN3CCOCC3)c(O)c(Cl)cc2c2c1CCCC2,5389292,18,2.863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2c(CN3CCOCC3)c(O)c(Cl)cc2c2c1CCC2,5389288,18,2.4729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12,MLS000036892-01,18,2.2078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12,MLS000097211-01,18,3.7454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1CCN(CCCNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1,16010442,18,3.7634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2c1-c1sc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc1CO2,NCGC00112297-01,18,5.2317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccccc1-c1nnc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)o1,CHEMBL550751,14,2.9612,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+Nc1ccccc1-c1nnc(C(=O)Nc2ccc3oc4c(c3c2)CCCC4)o1,CHEMBL551901,14,4.1961,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+Cc1cc2cc(NC(=O)c3nnc(-c4ccccc4N)o3)ccc2[nH]1,CHEMBL555241,14,3.3608,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+Nc1ccccc1-c1nnc(C(=O)Nc2cccc(N3CCCC3)c2)o1,CHEMBL559646,14,3.1713,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+Nc1ccccc1-c1nnc(C(=O)NCc2c(Cl)cccc2Cl)o1,CHEMBL555141,14,3.5556,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+COc1ccc(OC)c(CNC(=O)c2nnc(-c3ccccc3N)o2)c1,CHEMBL564453,14,2.266,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+Cc1cc(NC(=O)c2nnc(-c3ccccc3N)o2)n[nH]1,CHEMBL541083,14,1.6026,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+CC(C)(C)c1cc(NC(=O)c2nnc(-c3ccccc3N)o2)n[nH]1,CHEMBL556466,14,2.5917,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+Nc1ccccc1-c1nnc(C(=O)Nc2cc(-c3cccs3)[nH]n2)o1,CHEMBL560043,14,3.0227,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+Cc1ccc(-c2cc(NC(=O)c3nnc(-c4ccccc4N)o3)n[nH]2)cc1,CHEMBL564546,14,3.2696,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+COc1ccc(-c2cc(NC(=O)c3nnc(-c4ccccc4N)o3)n[nH]2)cc1,CHEMBL556465,14,2.9698,"Ferreira RS, Bryant C, Ang KKH, McKerrow JH, Shoichet BK, Renslo AR, J Med Chem, 52, 5005-5008 (2009)"
+Nc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1,MLS000565008-01,18,4.6528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1ccc(-c2cc(C(=O)O)cc(-c3ccc(Cl)cc3)n2)cc1,2-(4-butylphenyl)-6-(4-chlorophenyl)pyridine-4-carboxylic_acid,7,6.1098,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+Cc1ccc(-c2cc(C(=O)O)cc(-c3ccc4ccccc4c3)n2)cc1,2_06,1,5.5754,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CCCCc1ccc(-c2cc(C(=O)O)cc(-c3ccc(Cl)cc3)n2)cc1,2_04,1,6.1098,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(-c3ccccc3)cc2)c1,2_03,1,6.4342,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CC(C)(C)c1ccc(-c2cc(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)n2)cc1,2_02,1,6.7181,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Sc3ccc(Cl)cc3)cc2)c1,2_01,1,7.5718,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Sc3ccc(Cl)cc3)cc2)c1,2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)sulfanylphenyl]pyridine-4-carboxylic_acid,7,7.5718,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+CC(C)(C)c1ccc(-c2cc(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)n2)cc1,"2-(4-tert-butylphenyl)-6-(3,4-dichlorophenyl)pyridine-4-carboxylic_acid",7,6.7181,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=C(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(-c3ccccc3)cc2)c1,2-(4-chlorophenyl)-6-(4-phenylphenyl)pyridine-4-carboxylic_acid,7,6.4342,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+Cc1ccc(-c2cc(C(=O)O)cc(-c3ccc4ccccc4c3)n2)cc1,2-(4-methylphenyl)-6-naphthalen-2-ylpyridine-4-carboxylic_acid,7,5.5754,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+CCCCCc1ccc(-c2ccc(C(=O)O)cc2)nc1,MLS000035504-01,18,4.1795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1,MLS000582056-01,18,5.8063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1c[nH]c2ccccc12)c1ccccc1F,CK-666,3,3.2795,Shoichet Lab In House Data - Kristin Ziebart
+O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1,NCGC00037600-01,2,3.2119,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCc1c[nH]c2ccccc12)c1c(Cl)nc2sccn12,NCGC00039551-01,2,3.503,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1,NCGC00085689-01,2,3.4038,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1,MLS000081819-01,18,3.2119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1cn2ccccc2n1)c1ccccc1F,MLS000094358-01,18,2.4459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1c[nH]c2ccccc12)c1c(Cl)nc2sccn12,MLS000098139-01,18,3.503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(CNC(=O)c2ccccc2F)c2c[nH]c3ccccc23)cc1,MLS000334491-01,18,4.9349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c[nH]c3ccccc23)c1,MLS000393334-01,18,4.6189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1ccc(Br)s1)C(=O)NCCc1c[nH]c2ccccc12,MLS000569461-01,18,4.2578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C(/NC(=O)c2ccc(OC)cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1,MLS000588780-01,18,4.3149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(O)N1c1cccnc1,NCGC00085618-01,2,1.7329,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccnc(N2C(=O)c3ccccc3C2O)c1,MLS000522469-01,18,2.0413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)noc1-2,NCGC00047191-01,2,4.9077,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)no1,NCGC00085321-01,2,2.9889,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2c(c1)CCc1c(C(=O)NCc3ccc(F)cc3)noc1-2,NCGC00085327-01,2,3.5179,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)no1,MLS000116422-01,18,2.9889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C)ccc3O)noc1-2,NCGC00105802-01,18,3.7151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc3[nH]c(-c4cccc(OC)c4)cc(=O)c3c2)cc1,NCGC00159985-01,18,4.4646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3[nH]2)c1,NCGC00159957-01,18,5.1094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C)cc4)ccc3[nH]2)c1,NCGC00159976-01,18,4.7644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(COc2cc(-c3cccc(OC)c3)nc3ccc(NC(=O)c4ccc(N(C)C)cc4)cc23)cc1,NCGC00159998-01,18,6.8163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4)ccc3[nH]2)c1,NCGC00160015-01,18,4.456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c(C)c1,NCGC00141924-01,18,4.7274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc2ccccc2oc1=O,2877674,18,4.36,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(-c2ccccc2)cc1,MLS000539756-01,18,4.8641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(C)c1,MLS000540822-01,18,4.7274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1,MLS000697163-01,18,3.1971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1S(=O)(=O)Nc1cc(-c2cn3ccccc3n2)ccc1C,NCGC00117392-01,18,4.8816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3cn4ccccc4n3)ccc2C)cc1C,NCGC00117396-01,18,5.0358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)ccc3F)CC2)c1,NCGC00139527-01,18,5.998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccccc4Cl)ccc3F)CC2)c1C,NCGC00139315-01,18,4.8591,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c1,NCGC00139375-01,18,4.0364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)ccc3F)CC2)c1C,NCGC00139509-01,18,5.998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(/C=C\c2ccccc2F)n1-c1ccc(O)cc1,NCGC00139417-01,18,4.4008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1,MLS000112635-01,18,2.8332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(/C=C/c3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1,MLS000583619-01,18,4.5932,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2c(/C=C/c3ccccc3O)nc3ccccc3c2=O)c1,NCGC00098612-01,18,4.5701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-n2c(/C=C/c3ccc(Br)s3)nc3ccccc3c2=O)ccc1Br,NCGC00139357-01,18,6.451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(/C=C/c3cc(Br)cs3)nc3ccccc3c2=O)cc1C,NCGC00139385-01,18,5.9969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(/C=C/c2cccc3ccccc23)n1-c1ccccc1Cl,NCGC00139423-01,18,6.3627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(/C=C/c3cccc4ccccc34)nc3ccccc3c2=O)cc1Cl,NCGC00139427-01,18,6.3713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(/C=C/c2cccc3ccccc23)n1-c1ccc(Cl)cc1,NCGC00139429-01,18,6.3627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(/C=C/c2cccc3ccccc23)n1-c1ccc(F)cc1F,NCGC00139447-01,18,5.9875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1Nc1sc(C(=O)c2ccccc2)c(N)c1S(=O)(=O)c1ccc(C)cc1,NCGC00138418-01,18,5.8448,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1Nc1sc(C(=O)c2ccccc2)c(N)c1S(=O)(=O)c1ccccc1,NCGC00114513-01,18,6.0995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCS(=O)(=O)c1c(Nc2ccccc2C)sc(C(=O)c2ccccc2)c1N,NCGC00114545-01,18,4.797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)c2ccc3c(c2)OCO3)sc(Nc2ccccc2F)c1S(=O)(=O)c1ccccc1,NCGC00132189-01,18,5.0055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2c(Nc3cccc(Cl)c3)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,NCGC00132199-01,18,5.8282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1Nc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1S(=O)(=O)c1ccccc1,NCGC00138414-01,18,6.1898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1,NCGC00129434-01,18,6.039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(C(c3ccc(F)cc3)c3nnc(-c4ccccc4)o3)CC2)c1C,NCGC00107270-01,18,5.4041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(c1nnc(-c2ccccc2)o1)c1ccc(F)cc1Cl,NCGC00107276-01,18,6.0476,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)o1,NCGC00107372-01,18,5.7392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(c2cccc(Cl)c2)c2nnc(-c3ccccc3)o2)c1,NCGC00107412-01,18,6.2083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(c2cccc(Cl)c2)c2nnc(-c3ccccc3)o2)cc1F,NCGC00107414-01,18,6.039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3Cl)o2)cc1Cl,NCGC00107418-01,18,6.3926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1,NCGC00107430-01,18,6.4865,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl,NCGC00107432-01,18,6.4321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1Cl,NCGC00107486-01,18,5.7392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(C(Nc2ccc(Cl)c(C(F)(F)F)c2)c2nnc(-c3ccccc3)o2)cc1,NCGC00129454-01,18,6.7494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12,NCGC00123329-01,18,5.4367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21,NCGC00084812-01,2,2.6533,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(Cl)ccc1Cl,MLS000402507-01,18,5.6946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2nc1N1CCCCC1,NCGC00102225-01,18,5.0129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc(SCc2ccc(Br)cc2)c2ccccc21)N1CCCCC1,NCGC00123207-01,18,5.7086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1,NCGC00123339-01,18,4.5613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc(SCc2ccccc2Cl)c2ccccc21)N1CCCCCC1,NCGC00123391-01,18,5.9896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1OC,NCGC00133723-01,18,5.622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1Cl,NCGC00121839-01,18,3.7432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2cnc3sc(C(=O)O)c(C)c3c2=O)cc1Cl,15991119,18,3.0651,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c(=O)c2ccccc12,MLS000031897-01,18,4.243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1Cl,NCGC00117192-01,18,4.1205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1,NCGC00118046-01,18,5.9592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2oc(-c3ccccc3)nc2C#N)cc1,NCGC00085808-01,2,3.834,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C)CC4)o3)o2)cc1,NCGC00117992-01,18,4.93,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C)CC4)o3)o2)cc1,NCGC00118082-01,18,4.6302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNc1oc(-c2ccc(COc3ccccc3C)o2)nc1C#N,NCGC00118153-01,18,4.9057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)N=C(c1ccc(Cl)cc1)N=C(c1cccs1)N2,NCGC00116676-01,18,5.3607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C2=NN=C(c3cccs3)Nc3ccc(OC)cc32)cc1,MLS000121714-01,18,4.7801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(C2=Nc3cc(OC)ccc3NC(c3cccs3)=N2)cc1,NCGC00116620-01,18,5.8862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(C2=Nc3cc(CC)ccc3NC(c3cccs3)=N2)cc1,NCGC00116644-01,18,6.44,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=Nc3cc(Cl)ccc3NC(c3ccccc3)=N2)cc1,NCGC00116648-01,18,5.599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=Nc3cc(C)ccc3NC(c3ccccc3)=N2)cc1,NCGC00116670-01,18,4.9542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NC(c3ccc(Cl)cc3)=Nc3cc(C)ccc3N2)cc1,NCGC00116672-01,18,5.6076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(c1)N=C(c1cccs1)N=C(c1ccc(F)cc1)N2,NCGC00116712-01,18,5.4002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)N=C(c1ccc(F)cc1)N=C(c1ccc(F)cc1)N2,NCGC00116745-01,18,4.924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(C2=Nc3cc(Br)ccc3NC(c3cccs3)=N2)c1,NCGC00116747-01,18,6.1146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2c(c1)N=C(c1cccs1)N=C(c1ccc(F)cc1)N2,NCGC00116773-01,18,5.2365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1,NCGC00115040-01,18,2.6109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)c4ccccc4)ccc3Cl)cc2s1,MLS000393823-01,18,5.3355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,MLS000540200-01,18,3.9469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1,NCGC00115074-01,18,3.001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)n1,NCGC00115104-01,18,4.5645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1,NCGC00115433-01,18,4.7095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Sc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1,NCGC00117298-01,18,4.7079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc32)cc1,NCGC00112123-01,18,5.6866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc3C2=O)cc1,MLS000548020-01,18,4.3749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)cc1,NCGC00112102-01,18,5.6854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1,NCGC00125579-01,18,4.011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1F)c1noc2c1CCc1ccccc1-2,NCGC00105774-01,18,3.9707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCNC(=O)c1noc2c1CCc1ccccc1-2,NCGC00085301-01,2,2.58,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1c(NC(=O)c2noc3c2CCc2ccccc2-3)c(=O)n(-c2ccccc2)n1C,NCGC00085303-01,2,3.4903,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1,NCGC00085323-01,2,4.1866,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc(F)cc1F)c1cc(-c2ccco2)on1,MLS000087219-01,18,3.4651,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCN1CCOCC1)c1noc2c1CCc1ccccc1-2,MLS000087427-01,18,1.5022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)COc2ccc(Cl)cc2)C(c2ccccc2)c2cc(Br)ccc2N1,NCGC00103896-01,18,5.0516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Cl)ccc2N1,MLS000101015-01,18,4.8794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Br)ccc2N1,MLS000104027-01,18,4.9885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)c2cc3ccccc3oc2=O)C(c2ccc(F)cc2)c2cc(Br)ccc2N1,MLS000696890-01,18,4.8785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC1CCC(C(=O)N2CC(=O)Nc3ccc(Br)cc3C2c2ccc(F)cc2)CC1,NCGC00103762-01,18,6.4549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)COc2ccc(Cl)cc2)C(c2ccc(F)cc2)c2cc(Br)ccc2N1,NCGC00103768-01,18,5.1907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)COc1ccc(Cl)cc1Cl)CC(=O)N2,NCGC00103866-01,18,5.2509,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)C(c1ccc(F)cc1)N(C(=O)COc1ccc(Cl)cc1Cl)CC(=O)N2,NCGC00103868-01,18,5.39,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CC(=O)N2CC(=O)Nc3ccc(Br)cc3C2c2ccc(F)cc2)c1,NCGC00103892-01,18,5.0094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3C2c2ccc(F)cc2)cc1C,NCGC00103900-01,18,5.3889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN(C(=O)COc2ccc(Cl)cc2)C(c2ccc(F)cc2)c2cc(Cl)ccc2N1,NCGC00103926-01,18,5.0816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc(C)c1C,NCGC00101015-01,18,5.4179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(N=C(S)Nc2ccccc2)sc(C)c1C,MLS000526159-01,18,4.571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C,MLS000526696-01,18,2.5274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)C1c2ccccc2Oc2ccccc21,MLS000567446-01,18,5.1797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc(C(C)=O)c1C,MLS000572020-01,18,5.3121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCC(C(C)(C)C)C2,NCGC00101221-01,18,6.562,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)OC(C)C)sc(NC(=O)C2c3ccccc3Oc3ccccc32)c1C(=O)OC(C)C,NCGC00101229-01,18,6.0632,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(Cl)c3)cc12,NCGC00099990-01,18,5.3011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12,MLS000035989-01,18,4.8024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)CC2)cc1,MLS000123001-01,18,3.8505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3nnc(C4CC4)s3)cc12,MLS000391723-01,18,5.03,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1,MLS000553413-01,18,5.0091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1,NCGC00101447-01,18,4.9561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1,NCGC00102084-01,18,6.0063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3Br)cc12,NCGC00102092-01,18,5.4102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1,NCGC00102094-01,18,6.3147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1,NCGC00102096-01,18,6.0149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCN(C)CC3)nc21,NCGC00010902-01,18,1.2517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(C4CC4)c3n2)CC1,3234872,18,1.9402,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(-c4ccccc4)c3n2)CC1,3234749,18,2.5945,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(c2ncc3nc(-c4cccc(C#N)c4)c(=O)n(C)c3n2)CC1,3233383,18,1.014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(c2ncc3ncc(=O)n(C)c3n2)CC1,NCGC00010062-01,18,-0.5247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1,NCGC00011137-01,18,4.7556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCNCC4)nc32)c1,NCGC00011984-01,18,2.3815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2cnc(N3CCN(C)CC3)nc2n(CCC#N)c1=O,NCGC00012083-01,18,0.1604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(-c3ccc(OC)cc3)c2=O)cc1,NCGC00012624-01,18,2.6965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc21,NCGC00012861-01,18,3.5595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCn1c(=O)cnc2cnc(N3CCN(C)CC3)nc21,NCGC00012943-01,18,-0.4153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N=C(S)NCc1ccc2c(c1)cc(C)n2C,MLS000724656-01,18,4.5022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(S)=NCc2ccc3c(c2)cc(C)n3C)cc1,MLS000724577-01,18,4.3932,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CN=C(S)Nc3ccc(OC(F)F)cc3)ccc2n1C,MLS000724597-01,18,4.986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N=C(S)NCc1ccc2[nH]c3c(c2c1)CCCC3,MLS000724617-01,18,5.0622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(C)c1N=C(S)NCc1ccc2c(c1)cc(C)n2C,MLS000724666-01,18,5.0646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)cc1,MLS000722119-01,18,4.9835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(Cl)cc1)cn2Cc1ccccc1C,NCGC00111781-01,18,5.2431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(OC)c1,MLS000700731-01,18,4.3734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N/N=C/c1ccncc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1,20846827,18,3.7512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1,MLS000553311-01,18,4.0917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1,MLS000562685-01,18,5.9611,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccs1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1,MLS000584637-01,18,4.4177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1,MLS000699793-01,18,4.4739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1C=NNC(=O)c1cccc(Cl)c1,MLS000702403-01,18,3.5026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C3C=CC(C3)C2C(=O)N1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1,MLS000680492-01,18,2.9958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nn1cnnc1N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1,5855786,18,1.6061,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1N,5802924,18,1.9145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1C[C@@H]1c1ccccc1,MLS000332041-01,18,4.1086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2ccc(C=NN3C(=O)C4C5C=CC(CC5)C4C3=O)o2)c([N+](=O)[O-])c1,MLS000533136-01,18,3.6943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C3C=CC(C4CC34)C2C(=O)N1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1,MLS000533662-01,18,3.2418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2ccc(C=NN3C(=O)C4C5C=CC(C6CC56)C4C3=O)o2)c([N+](=O)[O-])c1,MLS000533821-01,18,3.5502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C3C=CC(C4CC34)C2C(=O)N1N=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1,MLS000533839-01,18,3.8952,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C3C=CC(C4CC34)C2C(=O)N1N=Cc1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1,MLS000535024-01,18,3.3809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1COc2ccccc2O1,MLS000573115-01,18,3.1449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc(C=NN3C(=O)C4C5C=CC(C6CC56)C4C3=O)o2)c([N+](=O)[O-])c1,MLS000680298-01,18,3.2504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccn1,MLS000588366-01,18,4.3551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1,MLS000573291-01,18,4.3256,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CCC(=O)N1CCCc2ccccc21,MLS000573907-01,18,4.9107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1,MLS000574014-01,18,4.0716,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NC2=NCCS2)C1=O,MLS000574703-01,18,2.5055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1,MLS000588368-01,18,4.091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1,MLS000665108-01,18,3.4883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2ccccc2c1,MLS000723288-01,18,5.0529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21,MLS000588145-01,18,3.7245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1cccc(Cl)c1,MLS000558852-01,18,3.7625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccc(Cl)cc1,MLS000558853-01,18,3.7625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S,MLS000570622-01,18,3.643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c2ccccc21,MLS000579200-01,18,4.4192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)cc1,MLS000579208-01,18,4.7276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O,MLS000580914-01,18,2.5713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccn3C)SC2=S)cc1,MLS000580916-01,18,2.8797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O,MLS000580922-01,18,3.2247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21,MLS000588147-01,18,4.4192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O,MLS000697980-01,18,3.2345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)n1,MLS000580473-01,18,4.7949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1cccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1,2222590,18,5.8063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(O)nc(SCc2ccccc2Cl)n1,MLS000043123-01,18,2.8335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(O)cc(-c2ccccc2)n1)Nc1ccccn1,MLS000066065-01,18,2.975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(O)nc(SCc2cccc(Cl)c2)n1,MLS000082706-01,18,2.7101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(O)nc(SCc2csc(-c3ccccc3)n2)n1,MLS000393360-01,18,3.1802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(O)nc(SCc2ccc(Cl)cc2)n1,MLS000530732-01,18,4.0804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cc(O)nc(SCc2ccc(Cl)cc2)n1)c1ccccc1,MLS000554028-01,18,3.9287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1,NCGC00105148-01,18,5.2103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(-c2ccccc2)nc(SCc2nc(-c3ccccc3Cl)no2)n1,NCGC00134641-01,18,4.8449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)N1CCCc2ccccc21)c1ccc(Br)cc1,MLS000579353-01,18,3.9166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)NC(=S)N2CCCc3ccccc32)c1,MLS000325172-01,18,3.2277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCc3ccccc32)cc1,MLS000388726-01,18,2.2474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Br)cc1Br)NC(=S)N1CCCc2ccccc21,MLS000537462-01,18,4.4443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Cl)cc1Cl)NC(=S)N1CCCc2ccccc21,MLS000537467-01,18,4.2261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Br)cc1Cl)NC(=S)N1CCc2ccccc21,MLS000579505-01,18,3.9451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)N1CCCc2ccccc21)c1ccc(Cl)cc1,MLS000579885-01,18,3.8075,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)NC(=S)N1CCc2ccccc21,MLS000722012-01,18,2.5292,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NOC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1,MLS000575979-01,18,5.2422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1,MLS000324508-01,18,5.2933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCn1nnc2ccccc2c1=O)c1cc(-c2ccccc2)nc2ccccc12,MLS000335420-01,18,3.8212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1,MLS000572860-01,18,4.3338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,MLS000578025-01,18,3.6804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)cc1,MLS000574535-01,18,5.2086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)Nc1cccc(Cl)c1,MLS000393574-01,18,4.4727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CSc2ccccc2)cc1,MLS000577303-01,18,5.1394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)cc2)cc1,MLS000579601-01,18,5.6124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C,MLS000582081-01,18,6.332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1,MLS000582311-01,18,6.332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2)cc1,MLS000582400-01,18,4.0299,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-],MLS000574494-01,18,4.1952,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1Cl,MLS000392429-01,18,5.8899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1,MLS000557689-01,18,3.8868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1,MLS000574371-01,18,4.4529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,MLS000576733-01,18,3.2914,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cc(OC)c1OC,MLS000574013-01,18,3.4394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCC2)cc1,MLS000678698-01,18,3.4222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC,MLS000699454-01,18,2.3151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)/C=C/c1ccco1,MLS000573951-01,18,4.9226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)/C=C/c4ccco4)cc3n2)cc1,MLS000573895-01,18,3.8483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)/C=C/c4ccco4)cc3n2)cc1,MLS000573909-01,18,4.1567,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2oc(-c3ccc(C)c(NC(=S)NC(=O)/C=C/c4ccco4)c3)nc2c1,MLS000574096-01,18,5.5395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc2ccccc2o1,NCGC00099640-01,18,6.9251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1,MLS000572546-01,18,3.6811,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)Nc1nnc(-c2cccs2)s1,MLS000559247-01,18,3.9106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)Nc1nnc(CSCc2ccccc2)s1,MLS000572597-01,18,5.2689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)Nc1nnc(CC2=CCCCC2)s1,MLS000591794-01,18,4.8784,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)Nc1nnc(CSCc2ccccc2Cl)s1,MLS000594853-01,18,5.2689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCCOc1ccccc1Cl,MLS000570674-01,18,5.1775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2ccc3c(c2)OCO3)cc1,MLS000570167-01,18,3.478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)OCO2)C1Cc2ccccc2CN1S(=O)(=O)c1cccs1,NCGC00037074-01,2,3.2311,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1,MLS000098689-01,18,2.7153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1ccc(C)cc1,MLS000536581-01,18,2.7101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2cc(Cl)ccc2Cl)cc1,NCGC00103347-01,18,4.7563,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)C2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1,NCGC00115030-01,18,3.5972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2ccc(Cl)cc2)c1,NCGC00115056-01,18,4.1115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1Cl,MLS000569331-01,18,4.5711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(OC)c(Cl)c1,5901690,18,1.9496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)cc1,MLS000334978-01,18,5.0676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Br)s1,MLS000390004-01,18,4.9773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)N1CCc2ccccc21)c1c2c(nc3ccccc13)CCCC2,MLS000390665-01,18,3.8597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2,MLS000391366-01,18,5.712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2)Nc1c(F)cccc1F,MLS000392437-01,18,4.8668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)N1CCc2ccccc21)c1c2c(nc3ccccc13)CCCCC2,MLS000392810-01,18,4.2498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1,MLS000556100-01,18,3.9844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC(C)C3)c1,MLS000565187-01,18,4.1637,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)cc1Cl,NCGC00128032-01,18,5.5195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1,MLS000564299-01,18,4.3069,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1ccc2c(c1)OCO2,NCGC00042266-01,2,3.5382,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnnn1-c1ccccc1)c1cc2ccccc2oc1=O,MLS000049226-01,18,2.7437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CCc1ccc(Cl)cc1,MLS000058351-01,18,4.4097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(N)s3)c2C)cc1,MLS000058514-01,18,3.7649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(Cc2ccco2)c1C,MLS000058520-01,18,4.014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1CCc1ccc(F)cc1,MLS000060441-01,18,3.4161,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)n1CC1CCCO1,MLS000098573-01,18,3.888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccc(Cl)cc3)c2C)no1,MLS000098578-01,18,3.9947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(C#N)c(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)n1,MLS000535539-01,18,5.2062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccn2c(=O)c3cc(C#N)c(=O)n(CC4CCCO4)c3nc12,MLS000559511-01,18,1.3685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)N=c2c(C#N)cc3c(=O)n4cccc(C)c4nc3n2Cc2ccco2)c1,4522020,18,3.5201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(=O)n3ccccc3nc2n(CCCN2CCOCC2)c1=O,666375,18,0.6034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21,MLS000082295-01,18,3.0992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N/C=C/C(=O)c2ccc(C)cc2)cc1,MLS000533865-01,18,4.1119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NS(=O)(=O)c1ccc(N/C=C\C(=O)c2ccc3ccccc3c2)cc1,5345509,18,3.2957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N/C=C\C(=O)C2C(=O)CC(C)(C)CC2=O)cc1,MLS000069280-01,18,3.0641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(N/C=C/C(=O)c2ccccc2)cc1,MLS000088290-01,18,3.5611,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1,MLS000089109-01,18,3.7002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/Nc1ccc(F)cc1)c1ccc(Oc2ncccn2)cc1,MLS000326513-01,18,4.2165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N/C=C/C(=O)c2ccc(Br)cc2)no1,MLS000526295-01,18,3.554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)cc1,MLS000528548-01,18,3.2324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cccc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccc(F)cc3)cc2)c1,MLS000573944-01,18,4.6376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cccc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc(F)cc3)cc2)c1,MLS000587882-01,18,4.6376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N/C=C/C(=O)c2ccc(Cl)cc2)cc1,MLS000665417-01,18,4.1571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc2ccccc2oc1=O,MLS000393397-01,18,3.8633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1cc2ccccc2oc1=NO,MLS000068848-01,18,2.9836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CC1CC2CCC1C2,MLS000374625-01,18,4.2694,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCc1cc2cc(C(=O)Nc3ccccc3OC)c(=O)oc2cc1O,MLS000553529-01,18,4.8823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)Nc1cc2cc(Cl)ccc2oc1=O,MLS000556476-01,18,3.7073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3cccnc23)c1,MLS000580208-01,18,4.3051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12,MLS000581359-01,18,4.6049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1,MLS000392555-01,18,4.2015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)c1ccco1,MLS000056797-01,18,4.8379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCCCC2,MLS000374703-01,18,3.4687,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1,MLS000401649-01,18,3.7147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1NC(=O)c1ccco1,MLS000570284-01,18,4.4478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1,MLS000392306-01,18,4.1544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1cccc(NN=C(C)c2ccccc2)c1)c1ccccc1,MLS000402438-01,18,4.6767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1cccs1)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1,MLS000538182-01,18,5.2264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1,MLS000543729-01,18,4.232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)Nc1ccccc1)c1ccccc1,MLS000569568-01,18,3.2323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1,MLS000581097-01,18,5.0258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1,MLS000699411-01,18,3.8309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c(SCC(=O)NCc3ccc4c(c3)OCO4)nc2c1,MLS000389843-01,18,2.7087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCCc4ccccc43)c(O)nc12,MLS000123398-01,18,4.8258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc2cc3c(cc2cc1C(c1nnnn1Cc1ccccc1)N1CCCc2ccccc21)OCO3,NCGC00026742-01,2,4.2461,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2nc(O)c(C(c3nnnn3C3CCCC3)N3CCCc4ccccc43)cc2c1,MLS000035525-01,18,4.8926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCN(C(c2cc3cccc(C)c3nc2O)c2nnnn2Cc2ccccc2)CC1,MLS000035872-01,18,3.0105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc2cc3c(cc2cc1C(c1nnnn1Cc1ccccc1)N1CCCc2ccccc21)OCO3,MLS000072424-01,18,4.2461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc2cc3c(cc2cc1C(c1nnnn1C1CCCC1)N1CCCc2ccccc21)OCCO3,MLS000072532-01,18,4.3554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCC3)c(O)nc12,MLS000072582-01,18,3.1975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(O)nc2c1C,MLS000122818-01,18,4.7441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(O)nc2cc1C,MLS000122953-01,18,4.7441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(O)nc2c1,MLS000123011-01,18,4.4357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(C(c2nnnn2CCc2ccccc2)N2CCCc3ccccc32)cc1,MLS000529125-01,18,4.5971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,MLS000117427-01,18,1.0374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)no1,MLS000090282-01,18,2.7538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N(C)Cc2ccccc2)s1,MLS000119617-01,18,4.3902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1,MLS000551984-01,18,4.7549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)=CC(=O)Nc1nnc(-c2ccccc2)s1,MLS000557805-01,18,3.1098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1,MLS000561633-01,18,5.0633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)c1,MLS000561648-01,18,5.0633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,MLS000068903-01,18,2.9305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,NCGC00029923-01,2,2.2428,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,MLS000034124-01,18,2.2428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cccc(Cl)c2)CC1,MLS000049207-01,18,2.6221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c2cc1C,MLS000054005-01,18,2.6875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2c1C,MLS000056374-01,18,2.6875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)nc(O)nc2O)CC1,MLS000086870-01,18,1.6689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(C#N)cc2c1,MLS000123196-01,18,2.697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1ccc2cc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4Cl)CC3)ccc2o1,MLS000531875-01,18,3.6107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cn1,MLS000057537-01,18,3.7429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)N1CCN(c2ccccc2)CC1,MLS000393659-01,18,4.0494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,MLS000417376-01,18,2.4895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(F)c1,MLS000053668-01,18,3.6782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1cccc(F)c1)OCC(=O)N1CCCCC1,4014577,18,1.1112,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,MLS000032033-01,18,4.4046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)c1cccc(N2CCCC2=O)c1,MLS000032718-01,18,3.0657,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccc(F)c1)N1CCN(c2cccc(Cl)c2)CC1,MLS000099570-01,18,3.4415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N2CCCC2)cc1)C(Cl)c1ccccc1,MLS000541546-01,18,4.2054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1,MLS000051038-01,18,5.0319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)COC(=O)C2CC3C=CC2C3)oc(-c2ccccc2)c1-c1ccccc1,NCGC00039507-01,2,5.1792,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1c(NC(=O)CSc2n[nH]c(Cc3ccccc3)n2)oc(-c2ccccc2)c1-c1ccccc1,NCGC00057205-01,2,5.925,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1,NCGC00060528-01,2,5.0319,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1,MLS000049220-01,18,5.3145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1,MLS000065358-01,18,2.9872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N,MLS000096976-01,18,5.5114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)oc(-c2ccccc2)c1-c1ccccc1,MLS000108561-01,18,5.1101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)oc(-c2ccccc2)c1-c1ccccc1,MLS000108943-01,18,5.5002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC(=O)CSc2ccccn2)oc(-c2ccccc2)c1-c1ccccc1,MLS000568464-01,18,5.6111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1,MLS000041351-01,18,3.8166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2OCC)CC1,MLS000036474-01,18,3.6915,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1,MLS000040156-01,18,4.3492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1,MLS000040167-01,18,4.1032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,MLS000078500-01,18,3.6312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2OC)CC1,MLS000078658-01,18,3.3014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,MLS000078660-01,18,3.0171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)CC1,MLS000078744-01,18,3.5238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1,MLS000079912-01,18,3.5862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1,MLS000079932-01,18,4.1516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1,MLS000035896-01,18,3.0794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSC1=NCCS1)Nc1cccc2ccccc12,MLS000533394-01,18,3.6143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,2393443,18,4.073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)no1,2115665,18,3.1264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)COC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Br)cc2)cc1,NCGC00099255-01,18,5.26,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)COC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccc(CC)cc2)cc1,NCGC00141273-01,18,5.0599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,NCGC00141275-01,18,5.2419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1,NCGC00141277-01,18,5.351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)OCC(=O)c2ccccc2)cc1,NCGC00141281-01,18,5.2326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1)OCC(=O)N1c2ccccc2Sc2ccccc21,2423305,18,3.7891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1)OCc1nc2ccccc2s1,4685252,18,2.7695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1cccc(F)c1)OCC(=O)N1CCCc2ccccc21,2494248,18,2.0781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C(=O)COC(=O)CNC(=O)c2ccccc2)c1,2436226,18,1.8597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-],MLS000390107-01,18,4.1633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(NC(=O)c1ccccc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21,MLS000544098-01,18,5.3479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21,MLS000571361-01,18,6.0481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1c2ccccc2Sc2ccccc21,MLS000585819-01,18,4.9807,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1,2940938,18,4.6839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1CSc1nnc(-c2ccco2)c(-c2ccco2)n1,6400942,18,5.3373,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1,6400935,18,4.4308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1,5293426,18,4.1224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nnc(-c2ccco2)c(-c2ccco2)n1,3053058,18,3.1135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1,2941133,18,4.4308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1coc(-c2nc(-c3ccco3)c(-c3ccco3)nc2-c2ccco2)c1,854635,18,5.5166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccco1,MLS000056661-01,18,3.9595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccco1)n1nc(-c2ccco2)nc1SCc1ccccc1,MLS000536898-01,18,4.1119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1,R138750,11,3.7379,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br,Etravirine,4,4.7174,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)cccc3Cl)n2)cc1,R106168,11,3.9667,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)ccc(Cl)c3Cl)n2)cc1,R124043,11,4.6201,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+N#Cc1ccc(Nc2nc(N)nc(Oc3c(Cl)cccc3Cl)n2)cc1,R129385,11,4.1682,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1,R147681/TMC120/dapivirine,11,4.7607,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+Cc1cc(C)c(Nc2ncnc(Nc3ccc(C#N)cc3)n2)c(C)c1,R152649,11,4.1557,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+Cc1cc(C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1,R152929,11,4.324,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)ncc2Cl)c(C)c1,R156204,11,5.4141,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br,R165335/TMC125/etravirine,11,4.7174,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+Cc1cc(C=CC#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1,R278474/TMC278/rilpivirine,11,4.9891,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+O=C(c1ccccc1)c1cn(CC(=O)N2CCCC2)c2ccccc12,NCGC00085829-01,2,3.4947,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1cc(C(=O)c2ccccc2)c2ccccc21,NCGC00085617-01,2,3.4093,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1cccs1)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12,MLS000049650-01,18,4.5187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccco1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12,MLS000051086-01,18,4.4447,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(c1cn(CCOc2ccccc2)c2ccccc12)N1CCCC1,MLS000575677-01,18,4.4916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1,MLS000696666-01,18,4.5986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nccs2)C1,NCGC00085813-01,2,1.7873,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)[nH]n1,NCGC00085831-01,2,1.3624,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(C3CCCCC3)CC2)C1,NCGC00085837-01,2,2.169,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)no1,NCGC00085845-01,2,1.6273,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)n1,MLS000117034-01,18,1.7798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccs2)C1,NCGC00085457-01,2,2.5077,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1CCC(Cc2ccccc2)CC1)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1,NCGC00084855-01,2,1.8813,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CCNC(=O)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1)c1ccccc1,NCGC00084873-01,2,1.4531,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(N2CCCCC2)CC1,NCGC00085463-01,2,2.6257,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(N2CCCCC2)CC1,MLS000116464-01,18,2.6257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1,NCGC00085165-01,2,0.7198,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N2CCN(CCCNC(=O)C3CCCN(S(=O)(=O)c4c[nH]cn4)C3)CC2)cc1,NCGC00084841-01,2,1.1475,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1,NCGC00084843-01,2,1.278,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(CN2CCC(CNC(=O)C3CCCN(S(=O)(=O)c4c[nH]cn4)C3)CC2)c1,NCGC00084849-01,2,2.1472,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1,NCGC00084851-01,2,0.8879,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccco1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1,NCGC00085069-01,2,1.439,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CCCNC(=O)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1)c1ccccc1,NCGC00085079-01,2,1.8432,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21,NCGC00084553-01,2,3.6486,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,NCGC00084521-01,2,1.3433,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,NCGC00084523-01,2,1.1805,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,NCGC00084529-01,2,1.038,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,NCGC00084531-01,2,2.3342,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,NCGC00084533-01,2,2.3695,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,NCGC00084555-01,2,2.6257,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O,NCGC00084593-01,2,2.5633,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1cc(C2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)ccc1O,NCGC00084505-01,2,4.1385,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)o2)s1,NCGC00034313-01,2,3.1017,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)o1,MLS000114721-01,18,3.4527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccnc1NC(=O)CSc1nnc(Cc2ccccc2)o1,MLS000549492-01,18,3.0946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)s1,MLS000566532-01,18,4.4415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1,MLS000569155-01,18,5.1533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(OC)cc1)C3,NCGC00141613-01,18,4.1062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1OC,NCGC00116034-01,18,4.8293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1,NCGC00116038-01,18,4.8293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1,NCGC00116312-01,18,5.1205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccc(C)cc1)C2,NCGC00116314-01,18,5.6829,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccc(F)cc1)C2,NCGC00116334-01,18,5.5136,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN2COc3ccc4c(C)cc(=O)oc4c3C2)cc1,NCGC00125088-01,18,3.4621,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1Cl)C3,NCGC00125092-01,18,4.1069,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CN1COc2ccc3c(C)cc(=O)oc3c2C1,NCGC00125094-01,18,3.4621,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1sc(C(=O)c2ccc(F)cc2)c(N)c1C(=O)NCCc1ccccc1,NCGC00138312-01,18,5.7249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2,NCGC00137173-01,18,2.874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2,NCGC00085824-01,2,3.7428,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1,NCGC00137197-01,18,2.8826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(CNC(=O)c2ccccc2)N2CCc3ccccc32)cc1,NCGC00131436-01,18,4.2864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(CNC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1,MLS000334320-01,18,4.7958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NCC(c1ccccc1)N1CCc2ccccc21)c1ccc(Cl)cc1,NCGC00114814-01,18,4.4223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(c2cccnc2)N2CCc3ccccc32)cc1C,NCGC00120689-01,18,4.2322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1S(=O)(=O)NCC(c1ccc(N(C)C)cc1)N1CCc2ccccc21,NCGC00131167-01,18,4.1519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1F,NCGC00131173-01,18,3.9826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1,NCGC00131175-01,18,4.2336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1ccc(C(=O)NCC(c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1,NCGC00131408-01,18,5.0736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NCC(c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1,NCGC00131418-01,18,4.295,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)CSc1ncc2c(n1)-c1ccccc1N(CC)S2(=O)=O,NCGC00128567-01,18,3.8017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)CSc1c(C)n[nH]c1C,MLS000065317-01,18,3.156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4cccc(C)c4)ncc3S2(=O)=O)c1,NCGC00105173-01,18,4.9003,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O)c1ccc(Br)cc1,NCGC00105205-01,18,5.7291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccccc2C)S3(=O)=O)c1,NCGC00128475-01,18,5.4541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccccc2C)S3(=O)=O)c1,NCGC00128501-01,18,5.1531,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)ncc2S1(=O)=O,NCGC00128563-01,18,4.3648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CSc1ncc2c(n1)-c1cc(Cl)ccc1N(C)S2(=O)=O,NCGC00128631-01,18,3.6749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncc2c(n1)-c1ccc(Cl)cc1N(Cc1ccccc1)S2(=O)=O)Nc1ccccc1C(F)(F)F,NCGC00128693-01,18,6.2555,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1F,NCGC00127798-01,18,4.6005,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1,NCGC00127766-01,18,4.0301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(S(=O)(=O)c2ccc3nc(Nc4cccc(C(F)(F)F)c4)ccc3c2)CC1,NCGC00127824-01,18,5.4178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(S(=O)(=O)c2ccc3nc(Nc4cccc(F)c4)ccc3c2)CC1,NCGC00127828-01,18,4.5381,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N(C)c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)c1,NCGC00127924-01,18,4.0956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc(CSc3nc4ccncc4n3Cc3ccc(C)cc3)cc2)cc1,NCGC00113981-01,18,6.3187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2cc(C)cc(C)c2)cc1,MLS000586930-01,18,5.2876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)c(C)c2)c1,MLS000586934-01,18,5.596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CNC(=O)c2ccc(CSc3nc4ccncc4n3Cc3ccccc3)cc2)cc1,NCGC00113220-01,18,6.2643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2c(SCc3ccc(C(=O)NCc4ccc(C)cc4)cc3)nc3cccnc32)cc1,NCGC00113439-01,18,6.0189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2c(SCc3ccc(C(=O)NCc4cccs4)cc3)nc3cccnc32)cc1,NCGC00113441-01,18,5.772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(CNC(=O)c2ccc(Cn3c(SCc4ccccc4)nc4cccnc43)cc2)cc1,NCGC00113449-01,18,5.7679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1,NCGC00113522-01,18,6.0189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cn2c(SCc3ccc(C(=O)NCc4cccs4)cc3)nc3ccncc32)c1,NCGC00113957-01,18,6.0718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(NC(=O)c2ccc(CSc3nc4ccncc4n3Cc3ccc(F)cc3)cc2)CC1,NCGC00114025-01,18,6.2195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(C(C)C)cc3)ccc21,NCGC00111914-01,18,3.5876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(C)cc3)C(C)C)ccc21,MLS000092130-01,18,2.9134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)c(=O)c(C(=O)c1ccc3c(c1)OCO3)cn2Cc1cccc(F)c1,NCGC00110124-01,18,4.457,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3nc(C)ccc3c2=O)cc1,NCGC00105355-01,18,4.4317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3cc4c(cc3c2=O)OCCO4)cc1OC,NCGC00110188-01,18,4.3776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3cccs3)CC2)cc1F,NCGC00109257-01,18,4.7018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3cccc(OC)c3)CC2)cc1,NCGC00109185-01,18,4.21,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1,NCGC00109217-01,18,4.21,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)CC1,NCGC00109253-01,18,3.9406,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1,NCGC00109259-01,18,5.0468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)c2cc(C)ccc2O1,NCGC00132614-01,18,5.3752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)c2cc(C)ccc2O1,NCGC00132712-01,18,5.2058,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cccc(Cl)c1,NCGC00106098-01,18,4.1819,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3)Nc1ccccc1,1954975,18,3.7736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C)c(C)sc21,MLS000580714-01,18,3.3151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3c(C)c(C)sc32)c1,MLS000580811-01,18,3.837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C)c(C)sc21,MLS000580812-01,18,3.7052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)c1ccc(Cl)cc1,NCGC00106034-01,18,4.367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1,NCGC00104438-01,18,4.9138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2SCC(=O)NCC2CCCO2)cc1,MLS000086669-01,18,4.0092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc2c(-c3ccccc3)nc(SCC(=O)Nc3ccccc3OC)nc12,NCGC00116700-01,18,5.5986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1cccc(C(F)(F)F)c1,NCGC00102279-01,18,5.4657,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1,NCGC00100126-01,18,4.6377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)OC(=O)NCCCCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)o1,MLS000040690-01,18,4.8004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1,NCGC00099191-01,18,2.9033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1,MLS000326137-01,18,4.4408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1,MLS000402196-01,18,3.8324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1,MLS000548826-01,18,2.6634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)C(=O)NCCC2=CCCCC2)cc1,MLS000561674-01,18,2.6179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1,MLS000571259-01,18,4.3333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1,MLS000578603-01,18,4.3934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1,MLS000579085-01,18,4.5675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1,MLS000665507-01,18,2.7821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)N(C)C)cc1,NCGC00137564-01,18,2.5776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc21,NCGC00012737-01,18,3.1828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3cnc(Nc4cccc(OC)c4)nc3n(C)c2=O)cc1,NCGC00010680-01,18,3.1513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Oc2ncc3nc(-c4cccc(C#N)c4)c(=O)n(Cc4cccc(OC)c4)c3n2)cc1,NCGC00010765-01,18,4.583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Nc3ccccc3)nc21,NCGC00011619-01,18,3.4123,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1,NCGC00012029-01,18,4.8171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C1CC1,NCGC00012259-01,18,4.0989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(Oc3cccc(Cl)c3)nc21,NCGC00012919-01,18,4.0846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(CCC#N)c3n2)c1,NCGC00011925-01,18,3.7976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(CCC#N)c3n2)cc1,NCGC00010001-01,18,3.6296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3cnc(Nc4cccc(OC)c4)nc3n(Cc3cccs3)c2=O)cc1,NCGC00010547-01,18,4.7241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Cn2c(=O)c(C)nc3cnc(Nc4ccccc4)nc32)c1,NCGC00010860-01,18,3.2954,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCCn1c(=O)c(CCc2ccccc2)nc2cnc(Nc3ccccc3)nc21,NCGC00012153-01,18,3.629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Cn2c(=O)cnc3cnc(Nc4ccccc4)nc32)c1,NCGC00012210-01,18,2.987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5ccccc5OC)cc34)c2c1,NCGC00011897-01,18,5.4499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c(OC)c1,NCGC00010026-01,18,4.6548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nc(NCCc3c[nH]c4ccc(OC)cc34)c3ccccc3n2)c1,NCGC00010365-01,18,5.4499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]cc(CCNc3ccnc(-c4ccc5c(c4)OCO5)n3)c2c1,NCGC00011581-01,18,4.0168,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(NCCc3c[nH]c4ccc(OC)cc34)ncn2)c1,NCGC00011688-01,18,4.2967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]cc(CCNc3cc(-c4cccnc4)ncn3)c2c1,NCGC00012086-01,18,3.6831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2ccc3ncnc(NCCc4c[nH]c5ccc(OC)cc45)c3c2)c1,NCGC00012330-01,18,5.4499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]cc(CCNc3ccnc(-c4ccc(N(C)C)cc4)n3)c2c1,NCGC00012670-01,18,4.3541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12,NCGC00012907-01,18,4.6462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2ncnc3ccc(-c4ccc(N(C)C)cc4)cc23)c(OC)c1,NCGC00012936-01,18,4.9921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nnc2-c2c[nH]c3ccccc23)cc1,MLS000724628-01,18,5.1056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1c2ccccc2CCc2ccccc21,MLS000031731-01,18,5.7735,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1c[nH]c2ccccc12)N1CCc2ccccc21,MLS000058086-01,18,3.2997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SC)nnc2-c2c[nH]c3ccccc23)cc1,MLS000102184-01,18,4.1461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccccc2)cc1,MLS000389489-01,18,5.4945,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCc2ccc3c(c2)OCO3)cc1,MLS000720363-01,18,3.0286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nc(NCc3ccc4c(c3)OCO4)sc2Cl)cc1,MLS000581161-01,18,4.2785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccc3c(c2)OCO3)s1,MLS000720423-01,18,3.8088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccccc2Cl)s1,NCGC00113586-01,18,4.7335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccccc2Cl)s1,NCGC00113883-01,18,4.3434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccc(Cl)cc2)s1,NCGC00113903-01,18,4.3434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccc(Cl)cc2)s1,NCGC00113907-01,18,4.6884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1,MLS000707611-01,18,4.2585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1,MLS000408852-01,18,4.6315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1,MLS000417618-01,18,3.7407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Cl)c(NC(S)=NN=Cc2ccc(O)cc2)c1)N1CCOCC1,MLS000418661-01,18,2.7983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)C(c1ccccc1)c1ccccc1,MLS000573939-01,18,4.8217,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1ccco1,MLS000666106-01,18,2.4963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c(=O)n3ccccc3nc21,3243905,18,1.3774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1cccnc1,2158304,18,2.6033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc21,706391,18,1.1864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)n1c(=NC(=O)c2ccco2)c(C#N)cc2c(=O)n3ccccc3cc21,MLS000040322-01,18,3.0409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cc2c(SC)c3ccccc3n2Cc2ccccc2)cc1,MLS000594949-01,18,5.6013,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(CC(=O)Nc2ccccc2)c(Sc2ccccc2)c2ccccc21,MLS000591682-01,18,5.5107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1c(CC(=O)Nc2ccccc2)n(Cc2ccccc2)c2ccccc12,MLS000594947-01,18,5.5927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3ccccc3n2C)cc1,MLS000594950-01,18,5.5193,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1c(CC(=O)Nc2ccccc2C(F)(F)F)n(Cc2ccccc2)c2ccccc12,MLS000594951-01,18,6.6115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(CC(=O)Nc2ccc(F)cc2)c(Sc2ccccc2)c2ccccc21,MLS000594953-01,18,5.6498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1c(CC(=O)Nc2ccc(F)cc2)n(Cc2ccccc2)c2ccccc12,MLS000594954-01,18,5.7318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1,MLS000591371-01,18,4.1574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccon1)c1sc2ccccc2c1Cl,MLS000065842-01,18,3.795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(Cl)cc1,MLS000558685-01,18,4.6746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccnc(NC(=O)c2sc3ccccc3c2Cl)c1,MLS000560368-01,18,4.5104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1=NCCS1)c1sc2ccccc2c1Cl,MLS000578642-01,18,3.3873,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1sc2ccccc2c1Cl,MLS000591761-01,18,5.1715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CCCC3)Nc1cccc2ccccc12,MLS000589149-01,18,5.5435,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)Nc1ccc2c3c(cccc13)CC2,1208699,18,3.9207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2nc3c(cc2c1=O)CCCC3,MLS000589154-01,18,4.0744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc3c(c2)OCO3)cc1,MLS000587752-01,18,2.8076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c(c1)OCO2,MLS000546168-01,18,4.0633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(Cl)c(C(=O)NN=Cc3ccc4c(c3)OCO4)sc2c1,MLS000549759-01,18,4.0559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc2c(c1)OCO2,MLS000553572-01,18,3.5615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1cccc(Br)c1,MLS000553736-01,18,3.5615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1,MLS000578651-01,18,3.535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1Cn1cc(Cl)cn1,MLS000584672-01,18,4.1198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Cn1cc(Cl)cn1,ZINC8683095,16,4.1198,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+COc1ccc(C=NNC(=O)c2ccccc2O)cc1Cn1cc(Cl)cn1,MLS000546227-01,18,3.0629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2cc(Br)ccc2O)cc1Cn1cc(Cl)cn1,MLS000587922-01,18,3.8254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2ccc(Br)o2)cc1Cn1cc([N+](=O)[O-])cn1,MLS000699936-01,18,2.9676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2)o1,MLS000577901-01,18,4.5634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1,MLS000533504-01,18,4.6389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1,MLS000538556-01,18,5.2179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1,MLS000572398-01,18,4.7354,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc2nsnc12)c1ccc(-c2cccc(Cl)c2)o1,MLS000572879-01,18,4.857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cccc(Cl)c2)o1,MLS000580872-01,18,5.2986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccccc1N1CCOCC1,MLS000683770-01,18,3.377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)NCCc2ccccc2)cc1,MLS000577090-01,18,4.033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1,6509469,18,4.4452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)OCc1ccccc1,5730275,18,3.4562,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1,5504787,18,3.471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OCc2ccccc2)cc1,2187862,18,4.5093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)OCc1ccccc1,1947460,18,4.0796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc2ccccc12)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1,MLS000544060-01,18,5.1576,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc21,MLS000574648-01,18,6.3679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1C1CCCCC1)N1c2ccccc2Sc2ccccc21,MLS000067603-01,18,5.0999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2n1,MLS000555763-01,18,6.1138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cccc1[N+](=O)[O-],MLS000574099-01,18,4.2818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1ccco1,MLS000573377-01,18,4.6542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,4477,18,3.8595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)cc1Cl,MLS000572999-01,18,5.014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccco2)c1,MLS000573232-01,18,4.092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccco2)cc1,MLS000575239-01,18,4.7454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)cc1Cl,MLS000577308-01,18,4.816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1,MLS000680705-01,18,4.095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1,MLS000702326-01,18,3.5665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1COc2ccccc2O1,MLS000573116-01,18,3.1449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1,5333106,18,2.0219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1C[C@@H]1c1ccccc1,MLS000332031-01,18,4.1086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(-c2ccc(C=Nc3cccc4ccccc34)o2)cc1,MLS000525531-01,18,5.7586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)cc1,MLS000539722-01,18,4.5991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2)c1,MLS000578726-01,18,4.8172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C/C=C/c1ccc([N+](=O)[O-])cc1)C1COc2ccccc2O1,MLS000595202-01,18,2.55,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=NNC(=O)C2COc3ccccc3O2)o1,MLS000700679-01,18,1.6357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCc1ccco1,MLS000572966-01,18,3.3108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCc1cccnc1,MLS000574158-01,18,3.1128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(C)c3ccccc3)c2)CC1,MLS000574192-01,18,3.2396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1,MLS000574199-01,18,4.0707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NCc1cccnc1,MLS000575055-01,18,3.7662,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NCC1CCCO1,MLS000576785-01,18,3.35,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1,MLS000578855-01,18,4.9155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC4CCCO4)c3)CC2)c(C)c1,MLS000582918-01,18,3.6219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1NCc1cccnc1,MLS000590034-01,18,3.021,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNC(=O)COc1ccc(-c2ccccc2)cc1,MLS000571526-01,18,2.8685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1C,MLS000388974-01,18,3.9758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccccc1Br,MLS000543746-01,18,4.6452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cc(O)ccc1Br,MLS000547767-01,18,4.3508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(OCC(=O)c2ccc(-c3ccccc3)cc2)cc1,MLS000662789-01,18,4.8179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Br)cc1)NCCO,MLS000680707-01,18,0.9364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1,MLS000569419-01,18,4.9028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1,nocode,15,5.9241,Shoichet Lab In House Data - Allison Doak
+Cc1cccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1,MLS000566636-01,18,4.6333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2csc(Nc3ncccn3)n2)cc1,MLS000571317-01,18,3.3437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)cs1,MLS000592076-01,18,4.5579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1,MLS000592083-01,18,4.8663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(SCC(=O)c2cc3ccccc3o2)nc2ccccc12,MLS000565214-01,18,5.2644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2o1)c1cc2ccccc2oc1=O,MLS000063251-01,18,3.9092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(SCc2cc(O)nc3ccccc23)nc2ccccc12,MLS000067662-01,18,5.0893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(=O)n(C)c(SCC(=O)c3cc4ccccc4o3)nc2s1,MLS000100040-01,18,4.0246,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nnc(SCC(=O)c2cc3ccccc3o2)s1,MLS000390244-01,18,5.3113,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(SCC(=O)NCCC2=CCCCC2)nc2ccccc12,MLS000392386-01,18,4.642,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc(Cl)ccc2s1)c1cc2ccccc2o1,MLS000564961-01,18,5.6709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccsc2)c1,MLS000556720-01,18,5.4938,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc2c(c1)OCO2,MLS000068913-01,18,4.5812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N(C(=O)Cc1ccsc1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1,MLS000552919-01,18,5.9615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(N(C(=O)C(F)(F)F)C(C(=O)NC2CCCCC2)c2cccs2)c1,MLS000553268-01,18,5.4504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N(C(=O)C(F)(F)F)C(C(=O)NC2CCCCC2)c2cccs2)c1,MLS000553277-01,18,5.142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)C(c1ccsc1)N(C(=O)Cc1cccs1)c1ccc(F)cc1,MLS000556659-01,18,5.3245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)C(c1ccsc1)N(C(=O)Cc1cccs1)c1cccc(F)c1,MLS000556660-01,18,5.3245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)C(c1ccsc1)N(CCc1ccccc1)C(=O)Cc1cccs1,MLS000557189-01,18,5.2235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1,MLS000568770-01,18,4.695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)c2cccc(Cl)c2)cc1,MLS000583963-01,18,5.1106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1,MLS000556063-01,18,2.5812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCOc1ccccc1)OCC(=O)c1cc2ccccc2o1,NCGC00040541-01,2,3.6278,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(CNC(=O)C(C)NC(=O)c2cc3ccccc3o2)cc1,MLS000047147-01,18,2.8761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)COc1ccccc1F)c1cc2ccccc2o1,MLS000392366-01,18,3.4911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)NN=C2c3ccccc3-c3ccccc32)cc1,MLS000545633-01,18,3.923,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1C,MLS000551164-01,18,2.8896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccs1,MLS000564589-01,18,2.7413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1,MLS000588829-01,18,5.0485,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1,MLS000553995-01,18,2.8124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)s1,2247463,18,4.5511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(OC)cc3)cc2)s1,1960788,18,3.4363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)s1,1822015,18,3.4277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1,MLS000547792-01,18,2.821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1,MLS000548636-01,18,2.9515,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C)cc3)cc2)nn1,MLS000548816-01,18,3.1208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)cc1,MLS000555083-01,18,2.821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccccc2)c1,MLS000572435-01,18,2.9164,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CNc2ccc(Br)cc2)cc1,MLS000551990-01,18,4.0523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CNCCC(=O)c1ccc(Br)cc1,12005153,18,2.1746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)ONC(=N)c2ccc(Br)cc2)cc1,MLS000533412-01,18,3.4445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NCC(=O)c2ccccc2)cc1Cl,MLS000555629-01,18,3.9432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CNc2ccc(C)c(Cl)c2)cc1,MLS000569077-01,18,4.2516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1,MLS000571252-01,18,4.9867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNc1ccc(Br)cc1)c1ccccc1,MLS000576651-01,18,3.7439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(Cl)cc1,MLS000578152-01,18,3.6007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1,MLS000581436-01,18,5.2574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)NN=Cc2ccc(OC)c(COc3ccc(C)cc3[N+](=O)[O-])c2)cc1,MLS000549959-01,18,3.8118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1,MLS000546143-01,18,3.2917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNS(=O)(=O)c2ccc(Br)cc2)cc1COc1ccccc1[N+](=O)[O-],MLS000549965-01,18,4.2573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1cc(C(=O)NN=Cc2sccc2C)c2ccccc2n1,MLS000545752-01,18,5.0442,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)NN=Cc3sccc3C)c3ccccc3n2)c(OC)c1,MLS000537184-01,18,5.0528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2n1,MLS000544549-01,18,5.1089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2ccc(Cl)cc2Cl)o1,MLS000544186-01,18,5.8016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1,3242441,18,5.5989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccc(COc2ccc(Cl)cc2Cl)o1,MLS000324599-01,18,6.2189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1ccc(COc2ccccc2Cl)cc1,MLS000537120-01,18,6.1116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Br)c1ccc(COc2ccccc2Cl)o1,MLS000537495-01,18,6.425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccc(COc2cc(Cl)ccc2Cl)o1,MLS000538046-01,18,6.2189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2ccc(Br)cc2)cc1,MLS000543508-01,18,5.6643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2cccc(Br)c2)cc1,MLS000544414-01,18,5.6643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccc(COc2ccccc2Cl)cc1,MLS000545501-01,18,5.9725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2ccccc2c1=O,MLS000409215-01,18,4.4677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,MLS000393426-01,18,3.4429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2,NCGC00041063-01,2,4.7418,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1,MLS000389320-01,18,5.1976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nc2ccccc2c1=O,2079716,18,4.4761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccccc2)s1,MLS000336169-01,18,4.7852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1ccccc1C,MLS000390352-01,18,5.1976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nnc(SCC(=O)NC2CCCc3ccccc32)s1,MLS000389227-01,18,4.876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(SCC(=O)NC3CCCc4ccccc43)[nH]c2c1,5094462,18,3.8574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnn(CC(=O)NC3CCCc4ccccc43)n2)cc1,MLS000067767-01,18,2.8423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)CCC(=O)NC2CCCc3ccccc32)s1,MLS000331694-01,18,3.013,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1cc(Cl)ccc1Cl)NC1CCCc2ccccc21,MLS000334850-01,18,5.2793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccccc2C)s1,MLS000336240-01,18,5.0936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])s2)c1C,MLS000374946-01,18,4.5375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)s1,MLS000389234-01,18,3.8017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c1C,MLS000392234-01,18,5.6975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2,MLS000389044-01,18,3.2602,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1,MLS000055749-01,18,2.7706,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc2c(c1)OCO2,MLS000098450-01,18,3.6493,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCc5sccc54)C3=O)c2C)cc1,MLS000334766-01,18,4.1305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CN2C(=O)NC3(CCCc4sccc43)C2=O)c(C)n1-c1ccc(Cl)cc1,MLS000334767-01,18,4.7753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)c2C)cc1,MLS000335818-01,18,3.6789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CN2C(=O)NC(C)(CC(C)C)C2=O)c(C)n1-c1ccc2c(c1)OCO2,MLS000388825-01,18,3.3621,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CN2C(=O)NC3(CCCc4sccc43)C2=O)c(C)n1-c1ccccc1,MLS000389021-01,18,4.1219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)COc2ccccc2Cl)c(C)n1-c1ccc2c(c1)OCO2,MLS000389259-01,18,4.7379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C,MLS000394088-01,18,3.5049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1,MLS000335840-01,18,5.1,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)sc2c1,MLS000335027-01,18,4.8048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1,MLS000393042-01,18,4.1034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1,MLS000394809-01,18,4.8836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2N)cc1,MLS000402193-01,18,5.1735,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1,NCGC00119404-01,18,4.3892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1,NCGC00134176-01,18,6.0891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1,NCGC00134180-01,18,5.7534,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCc1ccco1,MLS000121220-01,18,4.303,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1,NCGC00039644-01,2,3.6603,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)OC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1,MLS000120947-01,18,4.3452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1cc(CNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cn1,MLS000525420-01,18,3.7704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3cccs3)n2)cc1,MLS000566491-01,18,4.641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCCNC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1,NCGC00141354-01,18,4.1112,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1Oc2ccc(Cl)cc2NC1=O)NC1CCCCCC1,MLS000119476-01,18,3.2686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(=O)c2cc(C(=O)Nc3cc(C)on3)sc2c2ccccc21,MLS000118144-01,18,3.7848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(=O)c2cc(C(=O)Nc3cc(C)on3)sc2c2ccccc21,NCGC00084634-01,2,3.7848,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1c(=O)c2cc(C(=O)N3CCCC3)sc2c2ccccc21,NCGC00084636-01,2,3.4721,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2c2ccccc21,NCGC00084638-01,2,2.2981,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1c(=O)c2cc(C(=O)N3CCOCC3)sc2c2ccccc21,NCGC00084640-01,2,2.7085,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1c(=O)c2cc(C(=O)NCc3cccs3)sc2c2ccccc21,NCGC00084642-01,2,4.2276,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nnc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SC(C)C3)s1,MLS000101670-01,18,3.4134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)SC(C)C2,MLS000091058-01,18,3.9488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2nc(SCC(=O)c3ccccc3)n(Cc3ccccc3)c(=O)c2S1,MLS000529851-01,18,4.3033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21,MLS000101350-01,18,3.2946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NCc2nc3ccccc3n2C)c1,MLS000533146-01,18,3.4938,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)no1,MLS000088080-01,18,3.4547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1,NCGC00031439-01,2,3.8899,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3cc(C)on3)c2)c1,NCGC00037622-01,2,3.1962,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1C,NCGC00076157-01,2,4.4165,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1,NCGC00084895-01,2,3.6721,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NS(=O)(=O)c2ccccc2)no1,NCGC00085770-01,2,1.7838,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1,NCGC00085853-01,2,3.9247,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1,NCGC00098888-01,18,3.4183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C(C)(C)C)c1,NCGC00098908-01,18,3.9008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2ccccc2s1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,MLS000088012-01,18,3.7415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc3c(s2)CCCC3)cc1,MLS000049251-01,18,3.1221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2ccccc2s1,MLS000393857-01,18,3.0114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc3ccccc3s2)c1,MLS000409355-01,18,3.3991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cn1)C1CCCN1S(=O)(=O)c1cccc2ccccc12,MLS000531009-01,18,3.68,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,MLS000547809-01,18,4.5513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1,MLS000696612-01,18,5.7787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1,MLS000087796-01,18,4.4699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1,MLS000109444-01,18,4.7803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)c(O)c1,MLS000109496-01,18,4.5558,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1,NCGC00098177-01,18,5.9089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(C)cc2)n1,MLS000086036-01,18,2.2385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(C)cc3)cc2N)cc1,NCGC00030433-01,2,2.2385,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(F)c(C)c2)n1,NCGC00083980-01,2,2.8254,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1,653862,18,1.5231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1,647599,18,1.6536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1,MLS000044152-01,18,1.983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(-c4ccccc4Cl)noc3C)cc2N)cc1,MLS000086037-01,18,3.8467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(F)cc2)n1,MLS000086041-01,18,3.6774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3Br)cc2N)cc1,MLS000086043-01,18,2.6926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(-c4ccccc4Cl)noc3C)cc2N)cc1,MLS000086045-01,18,3.5469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccccc1)N2,MLS000079482-01,18,4.0733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc3c(c1)OCO3)N2,NCGC00055028-01,2,4.8834,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc(F)cc1)c1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2,NCGC00085177-01,2,3.6498,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccco1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2,MLS000029330-01,18,4.8289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc4c(c2)OCO4)N3)c1,MLS000095720-01,18,4.5416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc4c(c2)OCO4)N3)c1,MLS000095722-01,18,4.8328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc3c(c1)OCO3)N2,MLS000095723-01,18,3.9308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(C2CC2)N3)c1C,MLS000122437-01,18,4.4498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2cccs2)N3)c(C(=O)OCC)c1C,MLS000539055-01,18,5.5805,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccccc2)N3)c(C(=O)OCC)c1C,MLS000572576-01,18,5.519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2,MLS000072543-01,18,2.5034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCCO3)c(OC)c1,MLS000030984-01,18,2.4257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1C(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3,MLS000032058-01,18,3.9051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(SCC(=O)N3c4ccccc4CC3C)c(C)cc2c1,MLS000527343-01,18,4.9215,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc3c(cc2nc1SCC(=O)N1c2ccccc2CC1C)OCO3,MLS000527427-01,18,4.3418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2c(s1)CCCC2)Oc1ccccc1,MLS000066651-01,18,3.6328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2c(s1)CCCC2)c1nn(Cc2ccccc2)c(=O)c2ccccc12,MLS000335813-01,18,4.0324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc3c(s2)CCCC3)cc1,MLS000392071-01,18,4.4462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1nc2c(s1)CCCC2)c1ccccc1,MLS000545714-01,18,4.2798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1,MLS000557112-01,18,4.9934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2c(Nc3nc4c(s3)CCCC4)cccc2c1,MLS000575434-01,18,4.9187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1Cl,NCGC00118408-01,18,3.9362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1cc2c(s1)CCCCC2,MLS000065859-01,18,3.54,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2oc(=O)c3cc(C(=O)NCc4ccco4)sc3c2c1,NCGC00084664-01,2,3.8391,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccco1)c1ccc2nc3sc4c(c3c(=O)n2c1)CCCC4,3237626,18,3.311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2,MLS000088128-01,18,3.7747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ccccc1,MLS000334667-01,18,2.7017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2,MLS000535245-01,18,3.3846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1,MLS000535352-01,18,4.7106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1cc2c(s1)CCC2)Nc1ccccc1Br,MLS000571603-01,18,3.3678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC,MLS000064566-01,18,3.7465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3OC)cc2)CC1,NCGC00085527-01,2,3.4767,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2OCC)c1,MLS000390007-01,18,5.1752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)C(=O)C=C(O)c1cc(OC)ccc1OC,MLS000520154-01,18,3.2092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1N=C(S)Nc1ccccc1OC,MLS000556701-01,18,6.0827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c(C)n1Cc1cccs1,MLS000054938-01,18,4.181,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)n1Cc1ccco1,MLS000056256-01,18,4.4245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1Cc1cccs1,MLS000081780-01,18,3.2025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c(C)n1Cc1ccco1,MLS000565913-01,18,3.7125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CN2C(=O)c3cccc(N)c3C2=O)c(C)n1Cc1cccs1,MLS000567799-01,18,3.2758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O,MLS000571492-01,18,0.1259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2oc3ccccc3c2c1,MLS000051884-01,18,4.158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)c1cnc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1O,NCGC00050756-01,2,3.4424,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1,MLS000031134-01,18,3.6371,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccnc1)c1ccc2c(c1)OCCO2,MLS000056793-01,18,1.6536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccs1,MLS000099238-01,18,2.3201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Cn2nnnc2C(c2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1,MLS000031060-01,18,4.2427,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1,MLS000029927-01,18,3.6659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1,MLS000031123-01,18,4.2513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2nc3ccccc3s2)CC1,MLS000033594-01,18,4.401,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1,MLS000074849-01,18,3.2959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1,MLS000121352-01,18,3.5419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1,MLS000121552-01,18,3.3245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1csc(C(c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)c1,MLS000122364-01,18,4.7611,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(C(c2nnnn2Cc2ccco2)N2CCN(c3nc4ccccc4s3)CC2)cc1,MLS000122797-01,18,3.8357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(C2=CCN(C(c3ccc(Cl)cc3)c3nnnn3Cc3ccccc3)CC2)cc1,MLS000559389-01,18,5.3926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C(C)C)c(=O)n2c1,652300,18,2.343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1,654055,18,3.8507,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1,NCGC00028447-01,2,3.8507,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1Cc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc2N1S(C)(=O)=O,MLS000027766-01,18,3.7634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc2ccccc2c1,2098588,18,3.018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)cc(OC)c1OC,4877048,18,2.1348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(C(=O)OCC)c1C,4204052,18,2.5881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c1,3606824,18,2.1732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)COC(=O)CNC(=O)C2CCCCC2)sc(C)c1C,3506882,18,2.3297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(OC)c1,2563347,18,2.1262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)C1CCCCC1)OCc1cc(=O)oc2ccc3ccccc3c12,2472292,18,3.6859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1,2100448,18,1.7365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1,2099008,18,2.1262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccc(F)cc2c2nnc(SCCN3CCCCC3)nc21,2987903,18,3.7165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2nnc(SCc3ccccc3)nc21,NCGC00085656-01,2,4.2917,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCn1c2ccc(F)cc2c2nnc(SCCN3CCCCC3)nc21,15991474,18,4.4967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c2ccc(F)cc2c2nnc(SCCN(CC)CC)nc21,15991473,18,4.3526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c2ccc(F)cc2c2nnc(SCCN3CCCCC3)nc21,15991472,18,4.1066,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c2ccc(C)cc2c2nnc(SCCN3CCCCC3)nc21,6412283,18,4.2759,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCSc1nnc2c3cc(F)ccc3n(CC)c2n1,6407049,18,3.5724,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c2ccc(F)cc2c2nnc(SCCN3CCCCC3)nc21,2988303,18,3.2336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c2ccc(F)cc2c2nnc(SCCN(CC)CC)nc21,2986582,18,3.9625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCSc1nnc2c3cc(F)ccc3n(C)c2n1,2985356,18,3.0895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCC(O)CN2CCCCC2)cc1,NCGC00085723-01,2,1.9208,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1cc2ccccc2cc1OCC(O)CN1CCCCC1)N1CCCCC1,NCGC00085719-01,2,3.6915,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N2CCN(CC(O)COc3ccc(C(C)(C)C)cc3)CC2)cc1,NCGC00099737-01,18,3.5546,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCN(c2c(N3CCC(N4CCCCC4)CC3)c(=O)c2=O)CC1,NCGC00085332-01,2,1.0158,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2N1,NCGC00085067-01,2,2.3023,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCCC3)ccc2N1,NCGC00084728-01,2,2.9098,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCC3)ccc2N1,NCGC00084730-01,2,2.5197,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,NCGC00084732-01,2,1.9871,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCC3CCCO3)ccc2N1,NCGC00084734-01,2,1.7561,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN(C)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,NCGC00084736-01,2,2.7194,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(Cc1ccco1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,NCGC00084738-01,2,2.7125,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2n(C)c1=O,NCGC00084742-01,2,0.9682,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=Nc2ncnn2C(c2cccs2)/C1=C(\O)OC(C)C,NCGC00085021-01,2,3.2296,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=Nc2ncnn2C(c2cccc(F)c2)/C1=C(\O)OC(C)C,NCGC00084997-01,2,3.3072,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=Nc2ncnn2C(c2cccnc2)/C1=C(\O)OC(C)C,NCGC00084999-01,2,2.5631,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=Nc2ncnn2C(c2ccco2)/C1=C(\O)OCc1ccccc1,NCGC00085005-01,2,3.5529,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=Nc2ncnn2C(c2ccccn2)/C1=C(\O)OC(C)C,NCGC00085017-01,2,2.5631,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(C2/C(=C(\O)OC(C)C)C(C)=Nc3ncnn32)cc(OC)c1OC,NCGC00085019-01,2,3.1939,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=Nc2ncnn2C(c2c[nH]c3ccccc23)/C1=C(\O)OC(C)C,NCGC00085023-01,2,3.6494,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(O)=C1C(C)=Nc2ncnn2C1c1ccc(OCc2ccccc2)cc1,MLS000068272-01,18,3.9685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(O)=C1C(C)=Nc2ncnn2C1c1ccc(OC(=O)c2ccccc2)cc1,MLS000087866-01,18,3.6087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCOC(O)=C1C(C)=Nc2ncnn2C1c1cccs1,MLS000519973-01,18,4.7916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1c(F)cccc1Cl,NCGC00084511-01,2,4.2872,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1,NCGC00045151-01,2,3.9531,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1,NCGC00043886-01,2,4.453,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)o2)c1,NCGC00044757-01,2,4.3002,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,NCGC00049606-01,2,3.471,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1,MLS000086334-01,18,3.8082,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1,MLS000103329-01,18,3.7083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccccc2Cl)oc2c(Br)ccc(O)c12,NCGC00159732-01,18,4.5815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccccc2Cl)oc2c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)ccc(O)c12,6096218,18,5.6322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1cccc(Cl)c1,MLS000518321-01,18,5.7247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)c1,MLS000518323-01,18,5.3797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccccc1Cl,MLS000518340-01,18,5.7247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12,NCGC00159624-01,18,3.4012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccccc2Cl)oc2ccc([N+](=O)[O-])c(O)c12,NCGC00159841-01,18,3.7272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccccc1Cl,NCGC00159859-01,18,5.7247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccc(Br)cc1,NCGC00159919-01,18,5.8338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2CCN(c3cc(C)ccc3C)CC2)c(NC(=O)Nc2ccc(Cl)cc2)c1,NCGC00139759-01,18,6.1041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1,NCGC00085521-01,2,3.6458,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)c1,MLS000583297-01,18,3.7406,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NC(=O)Nc2cccc(OC)c2)c1,MLS000584001-01,18,4.9816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)Nc2cccc(OC)c2)c1,MLS000584002-01,18,4.9816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)Nc2ccccc2)c1,MLS000584003-01,18,4.973,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(Br)c1,MLS000672977-01,18,5.0549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c(NC(=O)Nc3ccc(F)c(Cl)c3)c2)cc1,NCGC00131716-01,18,5.9617,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c(NC(=O)Nc2cccc(OC)c2)c1,NCGC00139731-01,18,5.8043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1ccccc1,NCGC00138161-01,18,5.9929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(C(=O)Nc2ccc3c(c2)N(C2CCCC2)C(=O)c2ccccc2S3)cc1,NCGC00138133-01,18,5.8646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1ccccc1F,NCGC00138165-01,18,6.132,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1cc(Cl)c(OC)cc1OC,NCGC00129614-01,18,5.0632,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NS(=O)(=O)c2c(-c3ccccc3)csc2C(=O)OC)cc1,NCGC00129590-01,18,4.5649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(N(C)C)cc1,NCGC00129620-01,18,4.4586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C(=O)NCc1ccccc1Cl)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21,NCGC00125690-01,18,4.3467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(CCCC(=O)NCc2ccc(F)cc2)c(=O)c2c1sc1ccccc12,NCGC00120455-01,18,4.1553,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sc3ccccc3c21)NCc1ccccc1,NCGC00111752-01,18,3.8817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(C(=O)Cn3nc(C)c4sc5ccccc5c4c3=O)CC2)c1,NCGC00120200-01,18,3.8853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(C(C)C(=O)NCCc2ccccc2)c(=O)c2c1sc1ccccc12,NCGC00120285-01,18,3.8395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)N(C)Cc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O,NCGC00120321-01,18,4.5293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)NCCc1ccc(OC)c(OC)c1)n1nc(C)c2sc3ccccc3c2c1=O,NCGC00120351-01,18,4.2468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(CCCC(=O)NCc2cccc(Cl)c2)c(=O)c2c1sc1ccccc12,NCGC00120391-01,18,4.6696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1,NCGC00120445-01,18,4.5152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1,NCGC00120457-01,18,4.2969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(c3oc(-c4ccc(COc5cccc(C)c5)o4)nc3C#N)CC2)cc1,NCGC00118143-01,18,5.0289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1,663677,18,4.2019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(c3oc(COc4ccc(Cl)cc4Cl)nc3C#N)CC2)cc1,MLS000041868-01,18,4.7673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c2ccc(NCc3ccc(-c4ccc(F)cc4)o3)cc2[nH]1,NCGC00118123-01,18,3.8674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c2ccc(NCc3ccc(-c4ccc(Cl)cc4)o3)cc2[nH]1,NCGC00117805-01,18,4.3817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c2ccc(NCc3ccc(-c4cccc(Cl)c4)o3)cc2[nH]1,NCGC00117807-01,18,4.3817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c2ccc(NCc3ccc(-c4ccc(Br)cc4)o3)cc2[nH]1,NCGC00117809-01,18,4.4908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1-c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)o1,NCGC00117811-01,18,4.6901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc(CNc3ccc4[nH]c(=O)[nH]c4c3)o2)cc1Cl,NCGC00117813-01,18,4.3903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1ccc(F)cc1,NCGC00118113-01,18,4.8484,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c2ccc(NCc3ccc(-c4ccccc4)o3)cc2[nH]1,NCGC00118119-01,18,3.7283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c2ccc(NCc3ccc(-c4ccccc4F)o3)cc2[nH]1,NCGC00118121-01,18,3.8674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4ccccc4)c(=O)c32)c1,NCGC00114233-01,18,4.3327,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c21,MLS000522754-01,18,4.0567,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)N4CCCCC4)c(=O)c32)c(C)c1,NCGC00113938-01,18,4.3373,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCCCc4ccccc4)c(=O)c32)c(C)c1,NCGC00113946-01,18,5.0738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NC1CCCCCC1,NCGC00114000-01,18,4.3776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCN1CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O,NCGC00114072-01,18,3.9193,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)cc1,NCGC00114097-01,18,4.2408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NC1CCCCCC1,NCGC00114140-01,18,4.8919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c2cnn(CC(=O)NCc3ccc(F)cc3)c(=O)c2c(C)n1Cc1cccc(Cl)c1,NCGC00114451-01,18,3.972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2ccc3c(c2)N=C(C)c2c(C)ccc(C)c2S3)cc1,NCGC00112026-01,18,5.8473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=Nc2cc(C(=O)NCCc3ccccc3)ccc2Sc2c(C)ccc(C)c21,NCGC00112060-01,18,5.8812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCNC(=O)CSc1c2c(nc3cc(Cl)ccc13)CCCC2,NCGC00110899-01,18,3.6217,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2c1CCCC2,NCGC00033835-01,2,4.1892,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2c1CCCC2,MLS000033382-01,18,4.1892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(O)c2c(n1)CCCC2)Nc1ccc(Cl)cc1F,MLS000093095-01,18,3.5843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Br)ccc1NC(=O)CSc1c2c(nc3ccccc13)CCC2,NCGC00109033-01,18,5.5252,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCNC(=O)CSc1c2c(nc3ccc(Cl)cc13)CCCC2,NCGC00109063-01,18,4.0118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCCNC(=O)CSc1c2c(nc3cc(Cl)ccc13)CCCC2,NCGC00110901-01,18,4.7072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(CNC(=O)CSc2c3c(nc4cc(Cl)ccc24)CCCC3)c1,NCGC00110907-01,18,5.1927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1sc2nc(C)c(C(=O)Nc3ccc(C)cc3C)c(-c3cccs3)c2c1N,NCGC00107006-01,18,7.0455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)c1,MLS000552605-01,18,5.1556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)c1sc2nc(C)cc(C)c2c1N,NCGC00101840-01,18,4.1463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1sc2nc(C)c(C(=O)Nc3ccc(C)cc3C)c(-c3ccccc3Cl)c2c1N,NCGC00104928-01,18,7.6374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2sc3nc(C)c(C(=O)Nc4ccc(C)cc4C)c(-c4ccccc4Cl)c3c2N)c1,NCGC00104946-01,18,7.6374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3c2-c2ccccc2Cl)c(C)c1,NCGC00104950-01,18,7.7679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)c2sc3nc(C)c(C(=O)Nc4ccc(C)cc4C)c(-c4ccco4)c3c2N)cc1,NCGC00105045-01,18,7.1308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2sc3nc(C)c(C(=O)Nc4ccc(C)cc4C)c(-c4sccc4C)c3c2N)c1,NCGC00107028-01,18,7.3539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)c1,NCGC00102072-01,18,4.5897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCO2,NCGC00085787-01,2,3.9789,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCO2,MLS000115402-01,18,3.9789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccs1)c1cn(CCOc2ccccc2Cl)c2ccccc12,NCGC00101582-01,18,5.6662,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)c1,NCGC00102074-01,18,4.6673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1,NCGC00102006-01,18,6.6578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl,NCGC00102002-01,18,6.531,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)c3ccccc3n2)cc1,NCGC00099681-01,18,5.8921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)n3cnc4ccccc43)c3ccccc3n2)cc1,MLS000537519-01,18,4.9486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)On2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)cc1,MLS000585052-01,18,4.1036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1nc(-c2ccc3c(c2)OCO3)nc2ccccc12,NCGC00012323-01,18,4.6462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1nc(-c2cccc(C#N)c2)nc2ccccc12,NCGC00010536-01,18,4.7892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2nc(-c3ccc(N(C)C)cc3)nc3ccccc23)c(OC)c1,NCGC00011340-01,18,4.9921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1csc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1,NCGC00011407-01,18,4.6991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2nc(-c3cccc(C#N)c3)nc3ccccc23)c(OC)c1,NCGC00011547-01,18,4.7978,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Nc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1,NCGC00011986-01,18,4.7691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1nc(-c2cccc(N[S+](C)(=O)[O-])c2)nc2ccccc12,NCGC00012021-01,18,4.5041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,MLS000700014-01,18,4.8898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)CC(=O)c2cc(Cl)ccc2O)cc1,MLS000523182-01,18,4.7988,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1,MLS000535581-01,18,3.9519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1,MLS000626954-01,18,3.5396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3cccc4ccccc34)s2)cc1,MLS000697387-01,18,4.4862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1,MLS000374450-01,18,4.0589,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Nc2nnc(SCc3cccc4ccccc34)s2)cc1,MLS000567327-01,18,5.7272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1,MLS000724700-01,18,4.5437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cccc1[N+](=O)[O-],MLS000724829-01,18,4.9527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1c(Cl)cccc1Cl,MLS000591213-01,18,6.033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(Cl)cc1)NN=Cc1c(Cl)cccc1Cl,MLS000566976-01,18,4.3396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)s2)cc1,MLS000591102-01,18,5.1838,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])s2)cc1,MLS000591122-01,18,4.9545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2nnc(SCC(=O)NN=C/C=C/c3ccco3)s2)cc1,MLS000591124-01,18,4.6393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1c[nH]c2ccccc12,MLS000591383-01,18,5.2075,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CSc1nnc(SCc2ccccc2Cl)s1,MLS000594881-01,18,5.5287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(Br)n2)cc1,MLS000590280-01,18,5.3582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[S+]([O-])c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N,MLS000048185-01,18,4.7872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N,MLS000535552-01,18,3.6908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N,MLS000535574-01,18,4.4533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Br,MLS000561403-01,18,5.0498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1nc(-c2cccs2)cc(-c2ccc(C)cc2)c1C#N,MLS000561646-01,18,4.6658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1Br,MLS000563270-01,18,5.1889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1Br,MLS000588866-01,18,5.7032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCS(=O)(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N,NCGC00099287-01,18,5.6236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C,MLS000585415-01,18,2.9647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccco3)C2=O)cc1,MLS000324552-01,18,2.1194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)c1,MLS000324969-01,18,4.1989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C,MLS000546012-01,18,2.9647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1O,MLS000547890-01,18,2.6307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C,MLS000577091-01,18,3.8711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)s3)C2=O)cc1,MLS000585312-01,18,2.8963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)o3)C2=O)c1,MLS000585416-01,18,2.4278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C,MLS000702702-01,18,3.3568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1,MLS000582919-01,18,4.7423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1,MLS000324669-01,18,3.3361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl,MLS000538096-01,18,4.6742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1,MLS000582269-01,18,4.2081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1,MLS000582831-01,18,3.961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Br)o1,MLS000581647-01,18,5.2488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(Br)o1)Nc1nc2ccccc2s1,NCGC00077186-01,2,3.4473,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)o1,MLS000102788-01,18,4.9661,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cn2ccccc2n1)c1ccc(Br)o1,MLS000103864-01,18,2.6198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(Br)o1)Nc1nc2ccccc2s1,MLS000111757-01,18,3.4473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(/C(C#N)=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)nc2c1,MLS000579626-01,18,6.6548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2c1,MLS000533042-01,18,4.834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OC(=O)c4cccs4)cc3)nc2c1,MLS000558410-01,18,5.2162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2C)cc1[N+](=O)[O-],MLS000574462-01,18,5.0975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(C)c1NC(=O)CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1,MLS000574366-01,18,5.6985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1,MLS000572017-01,18,3.9443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1,MLS000335318-01,18,4.186,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(=O)NC(C)C(=O)O)cc1,MLS000521419-01,18,1.6783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1,MLS000563843-01,18,3.6013,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1,MLS000573601-01,18,4.4129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)c([N+](=O)[O-])c1,MLS000578724-01,18,3.8283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1,MLS000705822-01,18,3.2942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCc1nc2ccccc2[nH]1)Nc1ccc2ccccc2c1,MLS000571249-01,18,4.588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCc1cccc(CSCC(=O)Nc2ccc3ccccc3c2)n1)Nc1ccc2ccccc2c1,MLS000533423-01,18,7.1318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(COc2ccccc2C=NNS(=O)(=O)c2ccc(C)cc2)cc1,MLS000570916-01,18,3.673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1,MLS000389139-01,18,5.5231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1,MLS000392447-01,18,5.2147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NN=Cc1ccccc1OCc1ccc(Cl)cc1)c1ccccc1,MLS000588842-01,18,4.2314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=NN=C(S)NCc2ccccc2)cc1,MLS000562238-01,18,3.1621,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(Cc1ccccc1)c1ccc(C=NN=C(S)NC(C)C)cc1,MLS000375203-01,18,4.3308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C=NN=C(S)NCc2ccccc2)cc1,MLS000392444-01,18,4.3936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1,MLS000402532-01,18,4.7933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NN=C(S)NCc2ccccc2)cc1,MLS000544769-01,18,3.9423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=NN=Cc2ccccc2O)cc1,MLS000590225-01,18,2.9112,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NN=C(S)NCc2ccc(OC)cc2)cc1,MLS000591321-01,18,3.9509,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NN=C(S)NCc2ccccc2)ccc1OCC#N,MLS000702663-01,18,3.0071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CN1C(=O)c2ccccc2C1=O,MLS000561013-01,18,5.3924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccco1,MLS000029562-01,18,5.6946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2c3ccccc3-c3c(ssc3=S)C2(C)C)cc1,MLS000554629-01,18,5.9585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSC1=NCCS1,MLS000557669-01,18,5.6324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CSC1=NCCS1,MLS000557670-01,18,5.6238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(cc1C)N(C(=O)CSC1=NCCS1)C(C)(C)c1ssc(=S)c1-2,MLS000571388-01,18,6.2406,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSC1=NCCS1,MLS000571397-01,18,5.9322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CN1C(=O)c2ccccc2C1=O,MLS000587795-01,18,5.7008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2S(=O)(=O)c1ccc(C)cc1,MLS000588969-01,18,5.9671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccccc1)c1ccc(Br)cc1,MLS000561005-01,18,3.4888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1ccccc1)c1ccccc1,Benzyl_benzoate,1,3.0436,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1,MLS000113397-01,18,2.7355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cccc(C(=O)OCC(=O)c2ccc(Br)cc2)n1)c1ccc(Br)cc1,MLS000529207-01,18,4.686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1,MLS000576373-01,18,2.9906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/NCC(=O)c1ccccc1)c1ccc(Br)cc1,MLS000577005-01,18,3.618,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(CC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1,MLS000578273-01,18,4.9373,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1,MLS000558108-01,18,3.0279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1cccc(-c2nnc(NC(=O)CSc3ccc(C)cc3)s2)c1,MLS000580026-01,18,5.4232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NCc1cccs1,MLS000555658-01,18,4.8462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc([N+](=O)[O-])cc1,MLS000525511-01,18,4.2872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21,MLS000559335-01,18,3.8087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NCc1cccs1,MLS000563936-01,18,5.1443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)NCc1cccs1,MLS000563937-01,18,5.0052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1cn(Cc2ccc(C#N)cc2)c2ccccc12)C(=O)NCc1cccs1,MLS000563938-01,18,4.8462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)c1,MLS000568738-01,18,5.1535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1,MLS000569136-01,18,4.6451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21,MLS000569431-01,18,5.0138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(O)c(CN(Cc3cccs3)C(S)=Nc3cccc(C)c3)cc2c1,MLS000554578-01,18,5.9386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)ccc3nc2O)c1,MLS000547650-01,18,6.0179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3nc2O)OCO4)cc1,MLS000548680-01,18,4.9735,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1N=C(S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2nc1O,MLS000553432-01,18,5.3838,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2nc(O)c(CN(Cc3cccs3)C(S)=NCc3ccco3)cc2c1,MLS000554020-01,18,5.6999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CN(Cc3cccs3)C(S)=NCc3ccco3)c(O)nc2cc1C,MLS000554022-01,18,5.6999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(F)cc4)s3)CC2)cc1,MLS000547761-01,18,3.692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC=C(c2ccccc2)CC1,MLS000055855-01,18,3.5423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccc(F)cc2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,MLS000547759-01,18,4.037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccccc2F)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,MLS000548726-01,18,4.037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2cccs2)cc1,MLS000537863-01,18,4.3158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccs1)n1nc(-c2ccccc2)nc1NCc1ccco1,MLS000050508-01,18,3.9002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccs1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1,MLS000537426-01,18,4.5536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)n2nc(-c3ccc(Cl)cc3)nc2NCc2ccco2)cc1,MLS000537796-01,18,4.6951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)nc1NCc1ccccc1,MLS000581196-01,18,4.1539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1,MLS000581469-01,18,4.293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccc([N+](=O)[O-])cc2)cc1,MLS000581473-01,18,4.1625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1,MLS000582792-01,18,4.1162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1nccs1,MLS000537787-01,18,3.4904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3nccs3)n2C)c1,MLS000089192-01,18,4.0132,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(C)cc1,MLS000581562-01,18,5.3867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)c2ccco2)ccc1NC(=O)C(C)C,MLS000537404-01,18,3.135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)oc3ccccc34)n2C)c(Cl)c1,MLS000536998-01,18,6.0741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(=O)c2cc3sccc3n2C)cc1,MLS000529549-01,18,3.2787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)NC2CCCCC2)cc2sccc21,MLS000027181-01,18,3.3023,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)c2cc3sccc3n2C)cc(OC)c1,MLS000068504-01,18,3.5093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2cc3cc(C)ccc3n2C)cc1,NCGC00117968-01,18,3.7476,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3n2C)cc1,NCGC00117998-01,18,3.5256,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1nc[nH]n1,MLS000528767-01,18,4.0184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)c1ccc2oc(-c3ccc(NC(=O)c4nc[nH]n4)cc3)nc2c1,NCGC00060529-01,2,4.3787,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2csc(Nc3cccnc3)n2)cc1,MLS000528304-01,18,3.9573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Nc2nc(-c3cccnc3)cs2)nc1,MLS000085008-01,18,3.3437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1,MLS000108847-01,18,4.0147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CC(=O)Nc2nc(-c3cccnc3)cs2)c1,MLS000334718-01,18,3.3949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1,MLS000389892-01,18,5.0436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc(-c3csc(-c4cccnc4)n3)ccc2c1,MLS000568515-01,18,5.0339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1,MLS000527988-01,18,4.974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1,MLS000053003-01,18,3.7489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2,MLS000538422-01,18,4.3439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)n2C)cc1,MLS000527515-01,18,4.0713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CC(=O)CSc1nnc(-c2ccc(C)cc2)n1C,MLS000030978-01,18,3.4891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NC(=O)CSc2nc(N)n(CC(=O)c3ccccc3)n2)c(C#N)c1C,MLS000035249-01,18,3.024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1,MLS000553370-01,18,2.6714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnnc2SCC(=O)Nc2sc(C)c(C)c2C#N)cc1C,MLS000555279-01,18,3.56,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(Br)o1,MLS000527257-01,18,5.0678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1Br,MLS000331451-01,18,5.1782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cn1)c1cccc(-c2cc3ccccc3oc2=O)c1,MLS000331723-01,18,4.8698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccc2ccccc12)Nc1ccc(-c2cc3ccccc3oc2=O)cc1,MLS000580427-01,18,5.7944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2ccc(Br)cc2)o1,NCGC00099571-01,18,6.7696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(CCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,MLS000521041-01,18,3.156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)CCc2cn(Cc3ccccc3Cl)c3ccccc23)c1,NCGC00122541-01,18,5.6006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1cccc(OC)c1,MLS000438792-01,18,4.6532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1S(=O)(=O)N1CCCc2ccccc21,MLS000416489-01,18,4.4243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCc2ccccc21,MLS000570653-01,18,3.7667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2F)CC1,MLS000409236-01,18,3.4202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCc2ccccc21)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1,NCGC00085659-01,2,2.5313,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NC1CCCc2ccccc21)C1CCN(c2c(N3CCCC3)c(=O)c2=O)CC1,NCGC00085660-01,2,2.293,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCc3ccccc32)C1,NCGC00085867-01,2,2.621,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NC1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1,MLS000571616-01,18,4.0049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1S(=O)(=O)Nc1ccc(OC)cc1,MLS000408872-01,18,4.2314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1,MLS000120627-01,18,1.968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)COc2ccccc2C#N)cc1S(=O)(=O)Nc1ccc(OC)cc1,MLS000336634-01,18,4.2314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)COc2ccccc2C#N)cc1S(=O)(=O)Nc1ccccc1OC,MLS000339599-01,18,4.2314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1,MLS000401601-01,18,4.601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(OC)c2O)c1,MLS000417884-01,18,4.0649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCC(C)C2,MLS000394060-01,18,2.6045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2c3c(sc2n1)CC(C)CC3,MLS000123267-01,18,3.6354,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3Cl)CC2)sc(C)c1C,MLS000335957-01,18,3.5656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2c(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)csc2C1,MLS000393058-01,18,4.2331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2c(sc(NS(=O)(=O)c3ccccc3)c2C(=O)OC(C)C)C1,MLS000547484-01,18,4.2389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CCC(C)C2,NCGC00136723-01,18,3.7704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCCCC2)c1,MLS000393651-01,18,3.7723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1nc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2c1=O,MLS000056000-01,18,2.9374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1,MLS000391496-01,18,3.516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1,MLS000393479-01,18,4.0413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,MLS000417299-01,18,3.6906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc2ccccc2cc1O,MLS000417381-01,18,4.0664,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc2c(C(=O)COC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)c[nH]c12,MLS000707783-01,18,4.7232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1,MLS000392439-01,18,3.6299,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1[nH]nc2ccccc12,MLS000394390-01,18,2.2752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1,MLS000394931-01,18,4.6718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1,MLS000577193-01,18,3.9008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1,MLS000577930-01,18,4.7727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12,MLS000584900-01,18,4.7766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(OC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl,MLS000392370-01,18,5.8386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(OC(=O)c2ccc(O)cc2)c2ccccc2)cc1Cl,MLS000339640-01,18,4.8908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OC(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)C1=COCCO1,MLS000375371-01,18,4.1046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)C(OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1Cl,MLS000389406-01,18,4.3866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)C(OC(=O)c2cccs2)c2ccccc2)c1,MLS000392632-01,18,4.9017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)OC(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c(C)o1,MLS000409023-01,18,5.3951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(OC(=O)c2ccc(F)cc2)c2ccccc2)cc1Cl,MLS000417197-01,18,5.3243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1,MLS000581136-01,18,5.7054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-],MLS000390066-01,18,2.4274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,MLS000057798-01,18,3.8276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1,MLS000417576-01,18,3.1097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(CSc3nnc(-c4ccccc4)n3C)cs2)cc1,MLS000389919-01,18,5.2829,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCc2ccccc2)nnc1-c1ccncc1,MLS000039488-01,18,3.1694,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cs2)cc1,MLS000053434-01,18,4.4631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1,MLS000054891-01,18,5.5989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1,MLS000080518-01,18,3.6461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(CSc3nnc(-c4cccnc4)n3-c3ccccc3F)cs2)cc1,MLS000334664-01,18,6.2692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(CSc3nnc(-c4cccnc4)n3-c3ccccc3C)cs2)cc1,MLS000374765-01,18,6.4385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(CSc3nnc(-c4ccc(F)cc4)n3C)cs2)cc1,MLS000389874-01,18,5.422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1c(SCc2csc(Nc3ccccc3)n2)nnc1-c1cccnc1,MLS000392670-01,18,6.1301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCCO2,MLS000339658-01,18,4.1643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C)=O)cc1CSc1nnc(Nc2c(C)cccc2C)s1,MLS000336227-01,18,5.402,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1Nc1nnc(SCC(=O)Nc2sccc2C#N)s1,MLS000334408-01,18,4.5625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1,MLS000335359-01,18,4.2044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccc(C)cc2)s1,MLS000335406-01,18,5.0936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1Nc1nnc(SCC(=O)c2ccc(Br)s2)s1,MLS000409016-01,18,5.6975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1Nc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1,MLS000565593-01,18,4.9655,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)c2c(-c3ccccc3)noc2C)sc(C)c1-c1ccccc1,MLS000324531-01,18,6.1159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2nsnc12,MLS000065201-01,18,3.907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1c(-c2ccccc2)noc1C,MLS000578856-01,18,5.7258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21,MLS000118959-01,18,2.7932,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(F)cc1)C2,MLS000116000-01,18,3.5516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)CC(c1ccco1)C2,NCGC00083439-01,2,4.1858,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(C2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)c1,NCGC00084866-01,2,3.8182,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccccc1)C2,MLS000065027-01,18,3.0224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(C)cc1)C2,MLS000090903-01,18,3.3308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,MLS000116501-01,18,4.1758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)OC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,MLS000116530-01,18,4.2571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,MLS000116533-01,18,3.5617,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)CC(c1ccc(Cl)cc1)C2,NCGC00107203-01,18,5.3483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1,MLS000109556-01,18,3.4491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccco2)s1)C1CCCCC1,MLS000030837-01,18,3.3169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)s1,MLS000077997-01,18,2.8242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(-c2nnc3sc(-c4ccco4)nn23)c1,MLS000081214-01,18,3.5115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1C,MLS000102646-01,18,2.1084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccco1,NCGC00059466-01,2,3.0344,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1ccccc1,MLS000034417-01,18,1.8986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccco1,MLS000050442-01,18,3.0344,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCCc1ccccc1,MLS000093727-01,18,1.9411,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1,MLS000093734-01,18,2.3395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCCc1ccccc1,MLS000102642-01,18,2.0802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c3c(=O)n(CC(=O)NCc4ccco4)ncc3c2c1,NCGC00126363-01,18,2.0956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nccs1,MLS000100932-01,18,4.8769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cn2cc(SCC(=O)Nc3nccs3)c3ccccc32)c1,MLS000529743-01,18,5.1853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)C(=O)Nc1nccs1,MLS000562392-01,18,1.4405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)c1,MLS000087063-01,18,4.8976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)cc1,MLS000087042-01,18,4.8976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(-c2cc(C(=O)N3CCc4ccccc4C3)no2)c1,MLS000087182-01,18,3.5573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc(-c2cccs2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,MLS000520013-01,18,4.9505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,MLS000564611-01,18,4.7992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1,MLS000575633-01,18,4.8078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(F)c4)on3)CC2)cc1,NCGC00119613-01,18,3.7601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1,MLS000086034-01,18,2.4639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1,MLS000121397-01,18,3.0858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnn(CC(=O)NCCC3=CCCCC3)n2)cc1,MLS000121458-01,18,2.6552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnn(CC(=O)N3c4ccccc4CCc4ccccc43)n2)cc1,MLS000526511-01,18,4.112,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c(c1)OCCO2,MLS000081761-01,18,3.6348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1,MLS000074425-01,18,3.257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1,MLS000074346-01,18,3.5654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccnc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1,MLS000074636-01,18,4.4324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1,MLS000074722-01,18,4.7408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1,MLS000074732-01,18,3.4372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2ccccc2)nc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)n1,MLS000122638-01,18,4.6382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)C2C3CCC4C(CCC32)C4(Cl)Cl)c1,MLS000686493-01,18,4.7896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1,NCGC00127857-01,18,5.1571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(=O)cc(N3CCc4ccccc4C3)[nH]c2=O)cc1,MLS000045911-01,18,2.3969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Cl)cc1,NCGC00052351-01,2,2.7419,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1N1CCN(c2cc(=O)n(-c3ccc(Br)cc3)c(=O)[nH]2)CC1,NCGC00052367-01,2,2.6235,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Br)cc1,NCGC00052368-01,2,2.851,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1Cc1ccc(F)cc1,MLS000045861-01,18,2.2867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Cl)cc1,MLS000045875-01,18,2.7419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(c2cc(=O)n(-c3ccc(Br)cc3)c(=O)[nH]2)CC1,MLS000045894-01,18,2.6235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Br)cc1,MLS000045895-01,18,2.851,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2c(=O)cc(N3CCN(c4ccc(F)cc4)CC3)[nH]c2=O)c1,MLS000102349-01,18,2.2999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(-c2cccs2)oc1NCCN1CCOCC1,MLS000036618-01,18,2.0189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(-c2ccccc2F)oc1NCCN1CCOCC1,NCGC00085866-01,2,2.0965,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1,1977789,18,2.3561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(-c2cccc3ccccc23)oc1NCCN1CCCCC1,942996,18,4.2643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(-c2cccs2)oc1N1CCOCC1,892396,18,2.1114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CN(c2oc(-c3cccs3)nc2C#N)CC(C)O1,661188,18,2.8884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1oc(-c2cccs2)nc1C#N,MLS000036622-01,18,2.3408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nc(O)c2c3c(sc2n1)CCCC3,MLS000035540-01,18,3.3877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(O)c2c3c(sc2n1)CC(C)CC3,MLS000030501-01,18,3.2436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nc(N)c2c3c(sc2n1)CCC3,MLS000069156-01,18,2.8742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(C)CSc1nc(N)c2c3c(sc2n1)CCC3,MLS000071339-01,18,3.4304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1nc(O)c2c3c(sc2n1)CCCC3,MLS000113699-01,18,2.4524,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCSc1nc(O)c2c3c(sc2n1)CN(Cc1ccccc1)CC3,MLS000540790-01,18,4.4573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nc(O)c2c3c(sc2n1)COC(C)(CC)C3,MLS000550845-01,18,3.7503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCSc1nc(O)c2c3c(sc2n1)CCC3,MLS000550869-01,18,3.7778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nc(O)c2c3c(sc2n1)-c1ccccc1CC3,MLS000587291-01,18,4.2745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccco1,MLS000031677-01,18,3.1648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccccc3)CC2)n1)c1cccs1,MLS000030040-01,18,3.0027,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1nnc(-c2cc(Cl)ccc2-n2cnnn2)n1)N1CCCc2ccccc21,MLS000033305-01,18,1.9486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2NC(=O)C2CCC2)n1,MLS000076063-01,18,3.0565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1Cc1ccco1)c1ccc(F)cc1,MLS000028171-01,18,5.5593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1Cc1ccco1)c1ccc(F)cc1,NCGC00027685-01,2,5.5593,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)n2Cc2ccco2)cc1,MLS000032401-01,18,5.1319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccc(-c2ccccc2)cc1,MLS000083324-01,18,5.6234,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1Cc1ccco1)N1CCc2ccccc2C1,MLS000123038-01,18,5.1222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,MLS000026957-01,18,2.463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)c1,NCGC00075954-01,2,3.2831,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1,MLS000050909-01,18,3.3634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(CC(=O)Nc3ccc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)coc2c1,MLS000053426-01,18,4.5711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1,MLS000061019-01,18,3.3548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)c1,MLS000112394-01,18,3.2831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,1107335,18,4.8078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1,NCGC00025299-01,2,5.2556,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1,NCGC00025299-01,18,5.2556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1,1261721,18,5.0487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)NCc1ccco1,2570075,18,4.6829,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12,NCGC00105923-01,18,5.5017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCC[C@H](NC(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1,2091189,18,4.2057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1cccc(F)c1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1,2571695,18,4.181,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2[nH]1,2557358,18,4.3487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1nc2ccccc2[nH]1,2480416,18,4.0037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1,2425159,18,4.3487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1,2388209,18,4.8591,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1,MLS000588680-01,18,3.6035,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1,MLS000588681-01,18,3.6953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=N/NC(N)=S)cc(Br)c1OCc1ccccc1F,5349697,18,3.3429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c(/C=N/NC(N)=S)cc1Br,6875568,18,1.6334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(/C=N/NC(N)=S)cc(Br)c1OCc1ccccc1C,6872917,18,3.9023,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN=C(S)NN=Cc1cccc(OCc2ccccc2F)c1,MLS000666469-01,18,3.2438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNC(N)=O)cc(Br)c1OCc1ccccc1F,MLS000680559-01,18,3.5681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCc1ccccc1F,NCGC00118111-01,18,4.9575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(C(=O)Nc2cccnc2)no1,NCGC00085361-01,2,2.2744,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCc1cc(C(=O)Nc2cc(Br)ccc2O)no1,NCGC00083404-01,2,3.3475,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc2oc(C(=O)Nc3cccnc3)c(C)c2cc1C,MLS000103539-01,18,4.0054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(C(=O)Nc2cc(Br)ccc2O)no1,MLS000116375-01,18,3.3475,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)CCCCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,NCGC00084925-01,2,2.7904,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nnc(NC(=O)CCCCCN2C(=O)C3C4C=CC(C4)C3C2=O)s1,NCGC00084923-01,2,2.1525,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CCCCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nccs1,NCGC00084955-01,2,2.4491,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,MLS000047540-01,18,2.2955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)OCc2ccccc2)c(=O)n(-c2ccccc2)n1C,MLS000103054-01,18,3.2331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C(C)Sc1nnc(Cc2cc(O)nc(O)n2)n1-c1cc(C)ccc1C,NCGC00084733-01,2,2.3297,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C)c(-n2c(Cc3cc(O)nc(O)n3)nnc2SC(C)C)c1,NCGC00084731-01,2,3.1766,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCN1C(=O)c2cc(C(=O)NCc3cccs3)ccc2C1O,NCGC00084706-01,2,2.5348,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCN1C(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C1O,NCGC00084698-01,2,2.9959,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCN1C(=O)c2cc(C(=O)NC3CCCC3)ccc2C1O,NCGC00084700-01,2,2.2157,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2C1O,NCGC00084702-01,2,3.358,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCN1C(=O)c2cc(C(=O)NCCc3cccc(C)c3)ccc2C1O,NCGC00084710-01,2,2.8242,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1ccc(C)c(Br)c1)C2=O,NCGC00160715-01,18,6.7186,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(C23CC4(C2)[C@H](CN(Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1,NCGC00142221-01,18,9.8477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(C23CC4(C2)[C@H](CN(CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1,NCGC00142164-01,18,8.6459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cccc(C23CC4(C2)[C@H](CN(CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1,NCGC00142167-01,18,8.5608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1ccc(CN2C[C@@H]3[C@@H](c4ccccc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1,NCGC00142169-01,18,8.3941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(C23CC4(C2)[C@H](CN(Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1,NCGC00142174-01,18,9.2846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(C23CC4(C2)[C@H](CN(Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1,NCGC00142184-01,18,9.9328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(C23CC4(C2)[C@H](CN(Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1,NCGC00142194-01,18,7.6608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc([C@@H]2[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1,NCGC00142200-01,18,9.0907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2n1,NCGC00140493-01,18,5.8823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1,NCGC00085489-01,2,3.6824,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F,NCGC00139550-01,18,5.5956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)c1,NCGC00139313-01,18,5.5167,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2F)cc1,NCGC00139334-01,18,6.3473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1,NCGC00139336-01,18,5.961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1,NCGC00139342-01,18,5.2055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2F)cc1,NCGC00139384-01,18,6.8037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)NCc2ccccc2Cl)c1,NCGC00139520-01,18,5.5167,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(CN(Cc2ccccc2C)S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(OC)c3)c2)cc1,NCGC00139326-01,18,5.9628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(CN(Cc2ccccc2C)S(=O)(=O)c2ccc(F)c(C)c2)cc1,NCGC00139322-01,18,5.0103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(CN(Cc2ccccc2C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1,NCGC00139324-01,18,5.8603,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1CCC(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(F)c3)c2)CC1,NCGC00139875-01,18,6.4309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)nc2-c2ccc(OC)cc2)cc1,NCGC00137914-01,18,4.9708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(Cl)cc1Cl,MLS000389138-01,18,5.9466,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(Br)cn1,MLS000590523-01,18,5.0939,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Cc2nc3ccccc3nc2SCC(=O)Nc2cc(OC)ccc2OC)c1,NCGC00133731-01,18,4.9772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1)C(=O)Nc1cccc(OC)c1,NCGC00139777-01,18,5.7408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCCC2)c1,NCGC00131710-01,18,4.7865,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(CNC(=O)c2ccc(N3CCCC3)c(NC(=O)NCc3ccccc3)c2)cc1,NCGC00131612-01,18,5.6619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(Cl)cc1,NCGC00129453-01,18,4.6389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1,MLS000339472-01,18,5.044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2cccc3nonc23)cc1,NCGC00108448-01,18,4.0186,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccc3nonc23)cc(OC)c1,NCGC00108466-01,18,3.3824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2cccc3nonc23)cc1,NCGC00108468-01,18,3.9821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)c1ccc(C)c(C)c1,NCGC00129467-01,18,4.2637,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccc(C)c(F)c1)c1ccc(C)c(C)c1,NCGC00129485-01,18,4.4331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccccc1,NCGC00129648-01,18,3.0464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2c2ccccc2F)c(Cl)c1,NCGC00126213-01,18,6.4484,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)s2)c1,NCGC00126064-01,18,3.5729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccco3)s2)cc1,NCGC00120930-01,18,3.2389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccc(F)cc3)s2)cc1,NCGC00126038-01,18,3.0586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccc(F)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1,NCGC00126040-01,18,3.4036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1,NCGC00126062-01,18,3.5729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=Cc1ccc(Cn2c(C(=O)O)c(CNCCc3ccccc3)c3ccc(C)cc32)cc1,NCGC00125747-01,18,5.6715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(CNCCc3ccccc3OC)c(C(=O)O)n(Cc3ccc(F)cc3Cl)c2c1,NCGC00122032-01,18,5.5298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(CNCCc3ccc(SC)cc3)c(C(=O)O)n(Cc3ccc(F)cc3)c2c1,NCGC00122108-01,18,5.5897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(C(=O)O)c(CNC3CCCCCC3)c3ccc(C)cc32)cc1,NCGC00122160-01,18,5.817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(C(=O)O)c(CNCc3ccc(OC(C)C)cc3)c3ccc(C)cc32)cc1,NCGC00122198-01,18,6.0816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CNCCc3ccc(Cl)cc3)c(C(=O)O)n(Cc3ccc(F)cc3)c2c1,NCGC00122200-01,18,5.821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2c(C(=O)O)c(CNCCc3ccccc3Cl)c3ccc(C)cc32)cc1,NCGC00125713-01,18,5.6905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=Cc1ccc(Cn2c(C(=O)O)c(CNCc3ccc(F)cc3)c3ccc(C)cc32)cc1,NCGC00125749-01,18,5.7681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)n(C)c3nc12,NCGC00121119-01,18,1.1145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)NCCCn2ccnc2)cc2c(=O)n3ccccc3nc21,3241215,18,1.2028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccc(Br)cc1,NCGC00120914-01,18,3.1176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1Cl)Nc1nnc(S(=O)(=O)N2CCCC2)s1,NCGC00120666-01,18,1.9935,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(C)cc2)c2ccccc2S1(=O)=O,NCGC00115847-01,18,4.8178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O)c1ccccc1,MLS000068557-01,18,3.6833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(C(=O)c2ccccc2)=C(Nc2ccccc2C)c2ccccc2S1(=O)=O,MLS000585532-01,18,4.6828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(Br)cc2)c2ccccc2S1(=O)=O,NCGC00101551-01,18,4.4917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccc(OC)cc2)c2ccccc2S1(=O)=O,NCGC00101575-01,18,4.8712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(OC)cc2)c2ccccc2S1(=O)=O,NCGC00115817-01,18,4.1279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(Cl)cc2)c2ccccc2S1(=O)=O,NCGC00115819-01,18,4.7727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(F)cc2)c2ccccc2S1(=O)=O,NCGC00115845-01,18,4.6485,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)c1c(NC(=O)Cc2coc3ccc(C)cc23)sc2c1CCCC2,NCGC00115039-01,18,4.2223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)c1c(NC(=O)Cc2coc3ccc(OC)cc23)sc2c1CCCC2,NCGC00116878-01,18,3.9225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)/C=C/c2cn(CC(O)CN3CCCCCC3)c3ccccc23)cc1,NCGC00114913-01,18,5.0827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1,MLS000572426-01,18,4.3724,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cn(CC(O)CN2CCCCCC2)c2ccccc12)c1ccccc1,NCGC00114891-01,18,4.7743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(C)CC(O)Cn1cc(/C=C/C(=O)c2ccc(C)cc2)c2ccccc21,NCGC00114911-01,18,4.9386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(C)CC(O)Cn1cc(/C=C/C(=O)c2ccc(Br)cc2)c2ccccc21,NCGC00114919-01,18,5.3927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cn(CC(O)CN2CCCCCC2)c2ccccc12)c1ccc(Br)cc1,NCGC00114921-01,18,5.5368,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cn(CC(O)CN2CCc3ccccc32)c2ccccc12)c1ccc(Br)cc1,NCGC00114923-01,18,5.7235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)/C=C/c2cn(CC(O)CN3CCCCCC3)c3ccccc23)cc1,NCGC00114951-01,18,5.173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(C(C)C)cc1,NCGC00112187-01,18,6.4877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1cccc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)c1,NCGC00108301-01,18,6.3262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2cccc(Cl)c2)CC1,NCGC00106732-01,18,3.9135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)ccc1Br,NCGC00106722-01,18,4.6209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)CC2)cc1,NCGC00106756-01,18,3.4627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1,NCGC00106758-01,18,4.6734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccco3)nc2c1,NCGC00106127-01,18,4.375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1,NCGC00108920-01,18,5.5039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)C(NC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1,NCGC00104054-01,18,4.2417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(C)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C(=O)OC,MLS000578850-01,18,3.7861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C(=O)Nc2ccc3c(c2)OCO3)N(C)C(=O)/C=C\c2ccc3c(c2)OCO3)cc1,MLS000586318-01,18,4.304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)C(NC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccc(OC)cc2)cc1,NCGC00104052-01,18,3.9419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CC(NC(=O)/C=C\c3ccc4c(c3)OCO4)CC2=O)cc1,NCGC00136444-01,18,2.3588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1ccc(Br)cc1,NCGC00103963-01,18,4.4561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(F)c(Cl)c1,NCGC00103921-01,18,4.8189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(OC(F)(F)F)cc1,NCGC00103927-01,18,4.925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1ccc(F)cc1F,NCGC00103955-01,18,3.9718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1ccc(F)c(Cl)c1,NCGC00103959-01,18,4.4861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1ccccc1C(F)(F)F,NCGC00103967-01,18,4.7124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccccc1NC(=O)CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1,NCGC00103985-01,18,4.4155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(c2ccc(Cl)cc2)CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21,NCGC00102376-01,18,6.4751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(c2ccccc2)CC(C)(C)N(C(=O)c2cccc(Cl)c2)c2ccccc21,NCGC00098585-01,18,6.4751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N2c3ccc(C)cc3C(C)(c3ccccc3)CC2(C)C)cc1,NCGC00098605-01,18,6.4385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)N2c3ccc(C)cc3C(C)(c3ccccc3)CC2(C)C)cc1,NCGC00098607-01,18,6.1387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)N2c3ccc(C)cc3C(C)(c3ccccc3)CC2(C)C)c1,NCGC00098609-01,18,6.1387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)N2c3ccccc3C(C)(c3ccc(Cl)cc3)CC2(C)C)cc1,NCGC00098615-01,18,6.4837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(c2ccc(Cl)cc2)CC(C)(C)N(C(=O)c2cccc(F)c2)c2ccccc21,NCGC00098617-01,18,6.6142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)N2c3cc(C)ccc3C(C)(c3ccccc3)CC2(C)C)c1,NCGC00099284-01,18,6.1387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1,NCGC00100726-01,18,4.108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3s2)n1,MLS000394392-01,18,4.4078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(N)nc(COc3ccc(OC)cc3)n2)cc1,MLS000528826-01,18,2.7936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(N)nc(CSC(=S)N3CCN(c4ccccc4)CC3)n2)cc1,MLS000590745-01,18,3.5463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1Nc1nc(N)nc(CSc2nc3ccccc3s2)n1,MLS000590930-01,18,5.0612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1Nc1nc(N)nc(CSc2nc3ccccc3s2)n1,NCGC00100724-01,18,5.0612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1,NCGC00100728-01,18,4.4078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1,NCGC00101014-01,18,4.6618,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=S)NC(=O)c2cccs2)ccc1Br,MLS000702930-01,18,3.3408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=S)NC(=O)COc2ccccc2Cl)ccc1Br,MLS000581539-01,18,3.6979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C/C=C/c1ccco1)c1cccc([N+](=O)[O-])c1,MLS000700647-01,18,2.6168,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C/C=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1,MLS000525568-01,18,2.7525,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNc1ccc2ccccc2c1)NN=C/C=C/c1cccc([N+](=O)[O-])c1,MLS000571375-01,18,3.9753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NCC(=O)NN=C/C=C/c1cccc([N+](=O)[O-])c1,MLS000584417-01,18,3.1305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(F)c1,MLS000700227-01,18,3.5375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccc2c(c1)OCO2,MLS000544475-01,18,3.5645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1,MLS000578216-01,18,3.0718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(Br)cc1,MLS000700169-01,18,4.0684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1cccc2ccccc12,MLS000324591-01,18,5.2216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccc(Br)c1)c1cn(-c2ccccc2)nc1C(=O)c1ccccc1,MLS000324611-01,18,5.0968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccccc1,MLS000325143-01,18,4.0684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1cccc2ccccc12,MLS000544767-01,18,5.1957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1ccccc1,MLS000698013-01,18,4.0684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cccc(Br)c1,MLS000698014-01,18,4.0684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccc(Cl)cc1,MLS000699289-01,18,4.7218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2C(=O)CCC2=O)cc1,MLS000696885-01,18,4.869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccc3ccccc3c2)cs1,MLS000334326-01,18,5.3753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-c2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)cc1,MLS000335104-01,18,4.494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nnc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)s2)c1,MLS000696814-01,18,3.4192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc2c1C,MLS000724723-01,18,3.8188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C=NN2CCN(c3ccccc3)CC2)c1,MLS000686522-01,18,3.1511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NN1CCN(c2ccccc2)CC1)=C\c1ccccc1,MLS000571633-01,18,3.8979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=NN1CCN(c2ccccc2)CC1)c1cccs1,MLS000571635-01,18,2.9042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2CCN(N=Cc3sccc3C)CC2)cc1,MLS000571648-01,18,3.521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(/C=C/c1ccccc1)=NN1CCN(c2ccccc2)CC1,MLS000571649-01,18,3.5078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2CCN(N=Cc3cccs3)CC2)cc1,MLS000571651-01,18,3.2126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(Cl)c(C=NN2CCN(c3ccccc3)CC2)c1,MLS000572555-01,18,3.4043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2CCN(N=C/C=C/c3ccccc3)CC2)cc1,MLS000589819-01,18,3.8162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(NCCN)c([N+](=O)[O-])c2)cc1Cl,MLS000681217-01,18,3.1795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1,MLS000575206-01,18,6.1012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1,MLS000577710-01,18,4.4863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)cc1F,MLS000583891-01,18,4.9492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)NN=Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1,MLS000680514-01,18,4.5967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1,6896701,18,3.4205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1,5414982,18,3.4205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1,5342491,18,3.4205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(Cl)c(-c2ccc(C=NNC(=O)Nc3ccccc3)o2)c1,MLS000324580-01,18,4.5422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)[nH]n1,MLS000571384-01,18,4.0488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1-c1ccc(C=NNC(=O)c2cc3ccccc3o2)o1,MLS000580831-01,18,4.2433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+ON=Cc1ccc(-c2cc(Cl)ccc2Cl)o1,MLS000722333-01,18,4.0615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1,MLS000592179-01,18,4.5271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNc1ccc2c(c1)OCO2)NN=Cc1cn(Cc2ccc(F)cc2)c2ccccc12,MLS000585339-01,18,4.1196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN=C(S)NN=Cc1cn(Cc2ccc(C)cc2)c2ccccc12,MLS000585630-01,18,3.8371,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1C,MLS000588560-01,18,4.8355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN=C(S)NN=Cc1cn(Cc2ccc(F)cc2)c2ccccc12,MLS000590992-01,18,3.6678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)CCSc2nc3ccccc3s2)cc1,MLS000591336-01,18,3.9374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cnc(NC(=O)CCCSc2nc3ccccc3s2)s1,NCGC00042575-01,2,4.5722,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cnc(NC(=O)CCCSc2nc3ccccc3s2)s1,MLS000053524-01,18,4.5722,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1cccc2ccccc12)NN=Cc1ccc(Sc2nc3ccccc3s2)o1,MLS000324918-01,18,5.7228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C(/CC(=O)Nc2ccccc2)c2nc3ccccc3s2)cc1,MLS000334542-01,18,5.8743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCC(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)o1,MLS000543436-01,18,3.4043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1c(SCC(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O,MLS000591112-01,18,4.5098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1c(SCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2C)nc2ccccc2c1=O,MLS000402555-01,18,4.7391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])nc2ccccc21,MLS000584783-01,18,3.389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1c(SCC(=O)NN=Cc2sccc2C)nc2ccccc2c1=O,MLS000588429-01,18,4.3064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc21,MLS000594900-01,18,3.389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(-c3cccs3)nc3sc(C#N)c(N)c23)cc1,MLS000588872-01,18,5.1543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N,NCGC00028602-01,2,4.6775,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N,NCGC00063916-01,2,4.6772,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN1CCc2nc3sc(C#N)c(N)c3c(-c3cccs3)c2C1,MLS000069331-01,18,3.4666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)c2sc3nc(C)cc(-c4cccs4)c3c2N)cc1,MLS000574642-01,18,5.155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c2c1N,MLS000583375-01,18,4.948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N,MLS000588536-01,18,5.2848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(O)c(C=Nn2cnc3ccccc32)c1,MLS000588600-01,18,2.5323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Br)cc1/C=N\n1cnc2ccccc21,NCGC00066318-01,2,3.3866,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc2ncn(N=Cc3cc(Br)ccc3O)c2cc1C,MLS000040267-01,18,4.0034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Br)cc1C=Nn1cnc2ccccc21,MLS000081318-01,18,3.3866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(O)c(C=NN=C2c3ccccc3-c3ccccc32)c1,MLS000553618-01,18,4.1523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(O)c(C=NNc2ccccn2)c1,MLS000585015-01,18,2.1414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1cc([N+](=O)[O-])ccc1O,MLS000588760-01,18,3.4715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)Nn1c(-c2cccs2)nc2ccccc2c1=O,MLS000585073-01,18,3.9085,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(-c2cccs2)n1-c1cccc2ccccc12,MLS000559416-01,18,5.2674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(-c2cccs2)n1-c1ccc2ccccc2c1,MLS000561267-01,18,5.2674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1,MLS000584728-01,18,4.0636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)cc1)Nn1c(-c2cccs2)nc2ccccc2c1=O,MLS000585026-01,18,4.5619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nn1c(-c2ccccc2F)nc2ccccc2c1=O,MLS000585051-01,18,3.8943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1C(=O)Nn1c(-c2cccs2)nc2ccccc2c1=O,MLS000585074-01,18,4.1709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1,MLS000584893-01,18,5.5819,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1ccco1,MLS000047244-01,18,4.8143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)ccc1Cl,MLS000521295-01,18,4.9247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CC(=O)Nc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1,MLS000536356-01,18,5.2679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1,MLS000581032-01,18,5.3794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1,MLS000584413-01,18,4.6138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1,MLS000121215-01,18,4.7444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(C=NNC(=O)CNc2ccc3ccccc3c2)cc1,MLS000584414-01,18,4.1239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNc1cccc2ccccc12)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1,MLS000584419-01,18,4.6138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1,MLS000584398-01,18,4.6773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1sc(Nc2cccc(Cl)c2)nc1-c1cc2cccc(OC)c2oc1=O,NCGC00138335-01,18,5.8845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1sc(Nc2cccc(C)c2)nc1-c1cc2cccc(OC)c2oc1=O,NCGC00138337-01,18,5.5395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1sc(Nc2ccc(Cl)cc2)nc1-c1cc2cccc(OC)c2oc1=O,NCGC00138341-01,18,5.8845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(Nc2nc(-c3cc4cccc(OC)c4oc3=O)c(CC)s2)cc1,NCGC00138359-01,18,5.7935,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CC(=O)CSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1C#N,MLS000581821-01,18,3.9822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1C#N,MLS000555306-01,18,4.4131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)OCc1ccccc1,MLS000556589-01,18,4.1845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1C#N,MLS000581820-01,18,4.6459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)NCc1ccc2c(c1)OCO2,MLS000580464-01,18,5.1489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3cccs3)c2c1=O,NCGC00039406-01,2,3.8607,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3cccs3)c2c1=O,MLS000058009-01,18,3.8607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccc(F)cc3)c2c1=O,MLS000536020-01,18,4.5873,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc2c(c1)OCCO2,MLS000551845-01,18,5.2436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)s1,MLS000556206-01,18,4.8114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2,MLS000724894-01,18,3.0918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(SCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1,MLS000579957-01,18,5.6949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1,MLS000029202-01,18,2.8416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1Cl,MLS000576434-01,18,5.1143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccn2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2c1,1156033,18,2.3306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NN=C/C=C/c3ccccc3)n2)cc1,MLS000576045-01,18,5.2296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(/C=C/c1ccccc1)=NNc1nc2ccccc2s1,MLS000578815-01,18,4.4074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(/C=C/c1ccccc1)=NNc1nncc(-c2ccccc2)n1,MLS000585302-01,18,3.6497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C=C/C=NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,MLS000701038-01,18,3.6921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1,MLS000575219-01,18,4.4272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc(Br)cc1,MLS000575067-01,18,5.0506,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2CC(c3cccs3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1,MLS000696966-01,18,4.9049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)C(c3cccs3)C2)c1,MLS000697212-01,18,3.7987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1N=C(c2cccs2)CC1c1ccccc1,MLS000699826-01,18,5.1124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cccc1[N+](=O)[O-],MLS000575186-01,18,4.7326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)o1,MLS000532861-01,18,4.8715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1,MLS000557678-01,18,4.4242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1,MLS000562674-01,18,5.0776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1,MLS000564538-01,18,4.9055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cc([N+](=O)[O-])ccc1Cl,MLS000574377-01,18,5.0776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cccc(Cn2cc(C(=S)N3CCCCC3)c3ccccc32)c1,MLS000575054-01,18,4.9901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(C(=S)c2cn(Cc3cccc(F)c3)c3ccccc23)CC1,MLS000574751-01,18,5.2361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(C(=S)c2cn(Cc3ccccc3F)c3ccccc23)CC1,MLS000575047-01,18,5.2361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(C(=S)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1,MLS000575211-01,18,5.2361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCCn2cc(C(=S)N3CCCC3)c3ccccc32)cc1C,MLS000575625-01,18,5.1084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(c1cn(CCOc2cccc3ccccc23)c2ccccc12)N1CCCC1,MLS000580477-01,18,5.6448,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(c1cn(Cc2ccc(Br)cc2)c2ccccc12)N1CCOCC1,MLS000665383-01,18,4.4598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)NC(N=C(S)Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)cc1,MLS000574370-01,18,5.455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(S)=NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1,MLS000561759-01,18,5.6238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)NC(N=C(S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl,MLS000572308-01,18,4.2254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)NC(N=C(S)Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,MLS000573296-01,18,5.4916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)NC(N=C(S)Nc2ccccc2C)C(Cl)(Cl)Cl)cc1,MLS000573297-01,18,5.1466,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(S)=NC(NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c1,MLS000573671-01,18,5.527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)NC(N=C(S)Nc1ccccc1Br)C(Cl)(Cl)Cl,MLS000678868-01,18,4.3693,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1,NCGC00116006-01,18,4.2299,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl,MLS000573669-01,18,5.1523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1,3094957,18,4.0007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)OCc1ccccc1,MLS000558675-01,18,5.2491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)NC(NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl,MLS000573677-01,18,5.335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)NNC(=O)c1cccc(Cl)c1,MLS000577481-01,18,2.8144,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl,NCGC00159554-01,18,5.0471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NOC(=O)c1cccc(Br)c1)c1ccc(Br)cc1,MLS000572844-01,18,3.8986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1cccnc1,MLS000528822-01,18,3.0754,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=N)NOC(=O)c2ccc(F)cc2)cc1,MLS000571296-01,18,2.8211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Br)cc1,MLS000579388-01,18,5.7186,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)ONC(=N)c2ccc(Br)cc2)cc1C,MLS000594057-01,18,3.7529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1nnc2ccccc21,MLS000572411-01,18,5.5677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1CN1C(=O)c2ccccc2C1=O,MLS000080232-01,18,4.942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1Cn1nnc2ccccc21,MLS000572326-01,18,5.2549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C,MLS000572350-01,18,5.5446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1,MLS000572413-01,18,4.9277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1CSc1ccccn1,MLS000572447-01,18,6.1492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1Cn1cc([N+](=O)[O-])cn1,MLS000585206-01,18,5.2727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1CSc1ccccn1,MLS000588924-01,18,6.1536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1,MLS000570566-01,18,3.3492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(N2CCN(CC(=O)c3ccc(-c4ccccc4)cc3)CC2)c([N+](=O)[O-])c1,MLS000326581-01,18,4.0533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1,MLS000331244-01,18,2.6548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)C(C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1,MLS000391098-01,18,3.9414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1,MLS000392506-01,18,3.4602,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)N1CCCCC1)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O,MLS000416713-01,18,2.9239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1,MLS000573041-01,18,3.3261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)n1,MLS000568661-01,18,3.743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)NC1=NCCS1,MLS000334051-01,18,2.3935,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc([N+](=O)[O-])cc1,MLS000564625-01,18,4.5478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1,MLS000324489-01,18,3.3862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])cc1,MLS000570427-01,18,4.5478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc([N+](=O)[O-])cc1,MLS000572275-01,18,5.2012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1,MLS000581527-01,18,5.114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Br)s1,MLS000564382-01,18,4.2814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1nc(-c2ccc(Br)s2)cs1,NCGC00038162-01,2,3.5925,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1cccc2sc(NC(=O)c3ccc(Br)s3)nc12,MLS000100569-01,18,4.7713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)C23CN(Cc4ccccc4)CC2C(c2ccc([N+](=O)[O-])cc2)=NO3)c1,MLS000561466-01,18,3.5249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(C(F)(F)F)cc1)C12CN(Cc3ccccc3)CC1C(c1cccc([N+](=O)[O-])c1)=NO2,MLS000561438-01,18,4.5351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC1CCCCC1)C12CN(Cc3ccccc3)CC1C(c1cccc([N+](=O)[O-])c1)=NO2,MLS000561441-01,18,3.8964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C12CN(Cc3ccccc3)CC1C(c1cccc([N+](=O)[O-])c1)=NO2,MLS000561454-01,18,5.5539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCCCc1ccccc1)C12CN(Cc3ccccc3)CC1C(c1ccc([N+](=O)[O-])cc1)=NO2,MLS000561458-01,18,4.339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)C23CN(Cc4ccccc4)CC2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1,MLS000561459-01,18,3.8247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)C12CN(Cc3ccccc3)CC1C(c1ccc([N+](=O)[O-])cc1)=NO2,MLS000561462-01,18,3.5163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)C23CN(Cc4ccccc4)CC2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1,MLS000561464-01,18,3.5249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC(=O)c1ccccc1,MLS000556105-01,18,4.7186,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1nn(CC)cc1Br,MLS000048175-01,18,4.823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccco1,MLS000089070-01,18,4.4986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCN1C(=O)c2ccccc2C1=O,MLS000416468-01,18,4.3557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=S)NC(=O)c2ccccc2Cl)c(C(=O)OCC)c1C,MLS000575717-01,18,4.1901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)CCN1C(=O)c2ccccc2C1=O,MLS000581518-01,18,4.6153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2s1)NNC(=O)Nc1ccc(Cl)c(Cl)c1,MLS000552900-01,18,4.5481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(C3CC3)nc(SCC(=O)N3c4ccccc4CC3C)c2c1C,MLS000552839-01,18,5.2554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(C3CC3)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C,MLS000556764-01,18,4.8625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(-c3cccnc3SCC(=O)N3c4ccccc4CC3C)nc2c1,MLS000557795-01,18,5.0032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1,MLS000550242-01,18,3.8388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1C,MLS000577323-01,18,4.1473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(=C\c1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1,MLS000578351-01,18,4.2465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3nc2O)OCO4)cc1,MLS000548713-01,18,5.2733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)Cc1cccs1,NCGC00080191-01,2,5.6973,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2nc(O)c(CN(Cc3cccs3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1,MLS000547765-01,18,4.4726,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(O)nc2cc1C,MLS000547804-01,18,4.781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2cc3c(cc2nc1O)OCO3,MLS000548678-01,18,5.104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(O)nc12,MLS000547764-01,18,4.4726,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(CN(Cc3cccs3)C(c3nnnn3C3CCCC3)C(C)C)c(O)nc12,MLS000031127-01,18,5.8114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(CN(Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)c(O)nc12,MLS000032398-01,18,5.8836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c2nc(O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc12,MLS000033342-01,18,4.3125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(Cc1cc2cccc(C)c2nc1O)S(C)(=O)=O,MLS000531207-01,18,2.4204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,MLS000544611-01,18,4.6399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3cccs3)s2)cc1,MLS000543604-01,18,2.8769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1,MLS000536002-01,18,3.5285,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNc1nnc(SCC(=O)c2c[nH]c3ccccc23)s1,MLS000417915-01,18,4.2064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1n[nH]c(-c2cccs2)n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000565926-01,18,3.3116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000565978-01,18,3.0423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)Nc2cccc3ccccc23)cc1,MLS000534868-01,18,4.1701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNC(=O)Nc2cccs2)c1,NCGC00048188-01,2,3.0784,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccnc1NC(=O)Nc1cccc2ccccc12,MLS000527646-01,18,4.1872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1cccc2ccccc12,MLS000541139-01,18,3.8886,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(CC(=O)Nc2cccc3ccccc23)NC(=O)c2ccccc2)c1,MLS000549753-01,18,5.3483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1occc1C(=O)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)C)C2,MLS000532872-01,18,4.1517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(C)C1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1,MLS000535450-01,18,4.5418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC(C(C)(C)C)C2,NCGC00099519-01,18,5.7833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2,MLS000529704-01,18,4.2387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,MLS000529664-01,18,4.2387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc2c(c1)CCCC2,MLS000696621-01,18,5.0379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2,MLS000696651-01,18,5.3463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1,NCGC00120639-01,18,4.8565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C,NCGC00120645-01,18,5.3177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C)c1ccccc1,NCGC00120647-01,18,5.799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1)N1CCN(c2ccccc2)CC1,MLS000522906-01,18,3.0597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccn1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,MLS000045388-01,18,2.7446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C(NS(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2ccccc2)CC1,MLS000086965-01,18,3.1165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1Br)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12,NCGC00108863-01,18,3.9821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c(NC(=O)C(NS(=O)(=O)c2cccc3nsnc23)c2ccccc2)cc1Cl,NCGC00108881-01,18,4.0202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1NC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,NCGC00108885-01,18,4.3114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cc1F)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,NCGC00108923-01,18,4.2512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)COc2cc(=O)n(CC)c3ccccc23)cc1,MLS000522344-01,18,3.2156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NCC2COc3ccccc3O2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12,MLS000521639-01,18,4.2642,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(NCC2COc3ccccc3O2)c([N+](=O)[O-])c1,MLS000339558-01,18,2.097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12,NCGC00140063-01,18,5.2249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12,NCGC00140069-01,18,5.7392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1)c1ccc(Cl)cc1,MLS000520754-01,18,4.4088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccccc3[nH]2)c1,MLS000409395-01,18,4.2937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCC3)c1,MLS000393622-01,18,5.0452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1Cl,MLS000393671-01,18,4.2937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2)cc1C,MLS000409153-01,18,6.5532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1,MLS000393521-01,18,3.6846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(C2CC2)s1)C1Cc2ccccc2CN1S(=O)(=O)c1cccs1,MLS000096507-01,18,3.2313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1Cc2ccccc2CN1C(=O)c1ccco1,MLS000536135-01,18,4.7683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)cc(C(=O)Cn3nc(C(=O)O)c4ccccc4c3=O)c2C)cc1,MLS000393308-01,18,3.3937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)o3)c2C)cc1,MLS000058371-01,18,5.1892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3cnc4ccccc43)c2C)cc1,MLS000082037-01,18,3.8785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1,MLS000339549-01,18,4.0385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(C)cc(C(=O)Cn3nc(C(=O)O)c4ccccc4c3=O)c2C)cc1,MLS000339621-01,18,3.6936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)cc(C(=O)COc3ccc(C)nc3[N+](=O)[O-])c2C)cc1,MLS000389841-01,18,3.9761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3nnc(O)c4ccccc34)c2C)cc1,MLS000393806-01,18,3.7201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)C(OC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1,MLS000391487-01,18,4.0416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)C(OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)c1,MLS000390298-01,18,4.3414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)C(OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)c1,MLS000391376-01,18,3.7332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)C(Sc1nnc(Nc2cc(C)ccc2OC)s1)c1ccccc1,MLS000408950-01,18,6.3878,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1,MLS000390837-01,18,4.2257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1O,MLS000035988-01,18,3.4864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1,MLS000335688-01,18,4.8229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1,MLS000374943-01,18,4.5341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Nc1ccccc1,MLS000388626-01,18,4.8425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNc1ccccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1,MLS000571539-01,18,2.3415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc4ccccc4c3)ccc12,MLS000390123-01,18,3.8153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2cc(OCC#N)ccc12,NCGC00085748-01,2,2.0038,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(=O)oc2cc(OCC(=O)N3CCOCC3)ccc12,721294,18,1.339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1,MLS000335255-01,18,6.3645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)Nc4ccccc4OC(F)F)cc3)ccc12,MLS000375413-01,18,5.0773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1,MLS000564261-01,18,4.8191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)c1,MLS000581433-01,18,5.3266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)CN2CCCc3ccccc32)sc(C(C)=O)c1C,MLS000389684-01,18,3.8271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc21,MLS000037385-01,18,3.6542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCCc2ccccc21,MLS000040868-01,18,3.6542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)CN2CCCc3ccccc32)sc(C)c1C,MLS000334319-01,18,3.5428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCCc2ccccc21,MLS000555917-01,18,4.1083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)NN=Cc2ccccc2OCC)sc(C(C)=O)c1C,MLS000584652-01,18,3.9901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(N2CCC(c3cc(-c4ccc(OC)cc4)[nH]n3)CC2)c([N+](=O)[O-])c1,MLS000327479-01,18,4.1641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C3CCN(c4ccc(C(C)=O)cc4[N+](=O)[O-])CC3)[nH]n2)cc1,MLS000327469-01,18,4.5801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(N2CCC(c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)CC2)c([N+](=O)[O-])c1,MLS000327488-01,18,5.8783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c([N+](=O)[O-])c1,MLS000327489-01,18,5.2249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1,MLS000541435-01,18,4.4173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)CCCNc1oc(-c2ccc(Cl)cc2)nc1C#N,MLS000115103-01,18,3.2303,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)CCNc1oc(-c2ccccc2F)nc1C#N,NCGC00085872-01,2,2.3259,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CNc1oc(-c2ccc(F)cc2)nc1C#N,NCGC00085874-01,2,3.4203,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1cccc2c1OCO2,MLS000089163-01,18,4.2075,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1C2C=CC3(CN(c4cccc(Cl)c4)C(=O)C13)O2,MLS000114840-01,18,2.1895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1C2C=CC3(CN(c4ccc(Cl)c(F)c4)C(=O)C13)O2,NCGC00085631-01,2,2.3286,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC(C)C)C4C2=O)cc1,NCGC00085666-01,2,2.487,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC)C4C2=O)cc1,NCGC00085692-01,2,1.7084,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCOC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2,NCGC00085694-01,2,2.3544,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CCOC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,NCGC00085727-01,2,2.6194,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)N1CC23C=CC(O2)C(C(=O)OC)C3C1=O,NCGC00085851-01,2,0.7399,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C(C)N2CC34C=CC(O3)C(C(=O)OCC(C)C)C4C2=O)cc1,NCGC00085857-01,2,2.7374,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1c2ccccc2c2nnc(SCC(=O)c3ccccc3)nc21,MLS000111658-01,18,3.9744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12,MLS000056718-01,18,3.4292,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21,MLS000109191-01,18,3.5113,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)N1CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1,MLS000533976-01,18,4.568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2nnc(NN)nc21,MLS000560404-01,18,1.285,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c2ccccc2c2nnc(SCC(=O)NC3=NN=C(c4ccccc4)CS3)nc21,MLS000579514-01,18,4.495,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,MLS000109694-01,18,2.6418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12,NCGC00039651-01,2,2.8799,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12,MLS000056730-01,18,2.8799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)C1COc2ccccc2O1,MLS000526631-01,18,2.1428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc2c1CCCC2,MLS000534096-01,18,3.1551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)c2csc3c2CCCC3)s1,MLS000099834-01,18,3.8427,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc(NC(=O)c2csc3c2CCCC3)nc1C,MLS000065667-01,18,3.4307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccco1,MLS000097636-01,18,4.9398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(SCc2cc(F)cc3c2OCOC3)n1Cc1ccco1,MLS000088682-01,18,4.3357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3Br)o2)n1Cc1ccco1,MLS000097632-01,18,5.1426,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(=O)c2ccccc2n2c(SCc3nc4ccccc4s3)nnc12,MLS000566284-01,18,4.1322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2,MLS000097148-01,18,4.2834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2,MLS000047394-01,18,3.0736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccc(Cl)cc1)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,MLS000580044-01,18,5.6866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1,MLS000091358-01,18,3.9262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCNC(=O)CCc1nc(-c2ccccc2)no1,MLS000083722-01,18,1.8219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2noc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1,NCGC00107797-01,18,4.3353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3)n2)cc1,NCGC00115607-01,18,5.2588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1,MLS000088555-01,18,3.8439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccco1,MLS000088899-01,18,4.3072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)c1ccc(COc2cc(C)cc(C)c2)o1,MLS000519394-01,18,4.5143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1,MLS000530809-01,18,3.8344,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C,MLS000531296-01,18,5.0449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)c2noc3c2CCCCC3)cc1,MLS000087394-01,18,3.7582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CNC(=O)c1noc2c1CCCC2,NCGC00085271-01,2,1.9392,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1cc(Cl)ccc1Cl)c1noc2c1CCCC2,NCGC00085289-01,2,4.1125,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1sc(NC(=O)c2noc3c2CCCC3)c(C(=O)OCC)c1C,NCGC00085291-01,2,3.529,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1noc2c1CCCC2,NCGC00085293-01,2,4.3573,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(NC(=O)c1noc2c1CCCCC2)c1ccccc1,NCGC00085295-01,2,3.4345,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(NC(=O)c2onc(C)c2Cl)cc1,MLS000522578-01,18,3.4511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccco2)on1,MLS000087217-01,18,4.2276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(-c2cccc3ccccc23)oc1N1CCCCC1,MLS000082301-01,18,4.3568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1,664469,18,4.681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1,664380,18,5.1335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1,663986,18,4.6028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(-c2ccco2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1,MLS000041831-01,18,4.7179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1N,MLS000075211-01,18,2.1552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc2c(C#N)c(C)nn2c1-c1ccccc1,NCGC00084865-01,2,2.7531,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1cnc2c(N=Nc3ccccc3)c(N)nn2c1N,MLS000325214-01,18,2.4858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc2c(N=Nc3cccc(Cl)c3)c(N)nn2c1N,MLS000325304-01,18,3.1392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnn(-c2ccccc2)c1N,MLS000532169-01,18,1.6312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N,MLS000544647-01,18,2.2135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cnn3c(N)c(S(=O)(=O)c4ccccc4)cnc23)cc1,MLS000547352-01,18,2.8199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1N,MLS000581106-01,18,3.4527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)OCCO2,MLS000075024-01,18,2.5352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)COc2ccccc21)Nc1ccc(F)cc1,NCGC00085768-01,2,2.1898,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccc2c(c1)OCCO2,MLS000047480-01,18,2.7096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)CC(c2ccco2)Sc2ccccc21)Nc1ccc(Br)cc1,NCGC00112403-01,18,5.2509,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)cc1,NCGC00128583-01,18,2.5767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)ccc1Br,NCGC00128613-01,18,3.0852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)cc1Cl,NCGC00128637-01,18,2.6763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1,MLS000072727-01,18,3.4164,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1,NCGC00027565-01,2,3.4164,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1,MLS000031796-01,18,3.7248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc3cc(C(=O)NCc4ccco4)oc3nc2c1,MLS000091803-01,18,3.8124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(SCC(=O)Nc3ccc4sc(C)nc4c3)c(C#N)cc2c1,MLS000556826-01,18,5.0638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1,MLS000072506-01,18,5.603,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCc2ccccc2)N1,NCGC00080204-01,2,5.5477,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C(C(C)=O)=C(C)N2)cc1,NCGC00080383-01,2,4.7431,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C#N)=C(SCC#N)N1,MLS000037801-01,18,4.3396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)C1c1ccco1,MLS000089205-01,18,5.3563,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)C1c1ccco1,MLS000107933-01,18,5.4875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C1=C(C)NC(SCc2cccc3ccccc23)=C(C#N)C1c1ccco1,MLS000417556-01,18,5.6512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2nc3ccccc3s2)C(c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1,MLS000588152-01,18,5.4061,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)ccc1Nc1nc(-c2sc(N)nc2C)cs1,MLS000064818-01,18,3.9148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNc2nc(-c3sc(N)nc3C)cs2)cc1OC,1108286,18,3.829,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(N)sc1-c1csc(N(C)c2ccc(O)cc2)n1,973174,18,3.6307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(N)sc1-c1csc(Nc2ccc(Cl)cn2)n1,973127,18,3.9492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4sc(N)nc4C)cs3)cc2)no1,MLS000108494-01,18,3.998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1COc2ccc(C(=O)CSc3nnc(-c4cccs4)n3Cc3ccccc3)cc2N1,MLS000060539-01,18,4.3608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12,MLS000056286-01,18,5.5698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1COc2ccc(C(=O)CSc3nnc(Cc4cccs4)n3-c3ccccc3)cc2N1,MLS000081823-01,18,4.2255,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccs1,MLS000594058-01,18,4.6549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnnc2SCC(=O)c2nnc(-c3ccc(Cl)cc3)o2)cc1,MLS000055255-01,18,3.6491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnnc2SCC(=O)c2nnc(-c3ccc(Cl)cc3)o2)cc1,NCGC00040366-01,2,3.6491,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1,MLS000098584-01,18,1.0443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(=NNc1ccc(Cl)cc1)Sc1nnnn1-c1ccc(C)cc1,MLS000588817-01,18,3.7049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1Cc1cccs1,MLS000053488-01,18,3.9831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc2c1=O,MLS000097569-01,18,3.9842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1Cc1cccs1,MLS000098457-01,18,4.5828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1CC1COc2ccccc2O1,MLS000334411-01,18,3.4769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c1C,MLS000336484-01,18,3.3748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1,MLS000051892-01,18,3.9441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1C,MLS000081429-01,18,4.2525,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCN(c3ccccc3F)CC2)cc1,MLS000568470-01,18,4.2047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCc3ccccc3C2)cc1,MLS000575908-01,18,4.3017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2,MLS000051793-01,18,3.5378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2,NCGC00053802-01,2,3.5378,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)cc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)c1,MLS000051511-01,18,3.7063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1nccs1,MLS000051374-01,18,3.0395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1,MLS000051319-01,18,3.8272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)cc1,MLS000050153-01,18,3.19,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1,MLS000045465-01,18,4.2376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c(O)nc3ccccc3c21,MLS000045448-01,18,4.0479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12,MLS000044225-01,18,3.6408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccccc3OC(C)C)cc12,NCGC00103816-01,18,5.9726,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1,NCGC00104370-01,18,5.0404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)c1,NCGC00104372-01,18,5.049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21,MLS000043279-01,18,2.4839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1C,1072846,18,2.924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nonc1-c1nc2ccccc2n1CC(=O)NC1CCCC1,MLS000034179-01,18,1.7273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21,MLS000043839-01,18,3.4861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(Cn2c(-c3nonc3N)nc3ccccc32)ccc1C,MLS000044014-01,18,3.0338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12,MLS000121118-01,18,4.6363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1,NCGC00117644-01,18,3.326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC1CCCO1)c1c(O)nc2ccccc2c1O,MLS000029276-01,18,1.5548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCNC(=O)c1c(O)nc2ccccc2c1O,NCGC00026817-01,2,2.9561,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1,NCGC00073054-01,2,3.6699,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1,6602553,18,4.0917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)NC(=O)c1c(O)nc2ccccc2c1O,MLS000078919-01,18,1.7842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCCCCC1)c1c(O)nc2ccccc2c1O,MLS000107747-01,18,3.4887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccccc1)c1c(O)nc2ccccc2c1O,MLS000589876-01,18,2.4099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)sc(C)c1C,MLS000028208-01,18,2.5867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CN(C#N)c1nc(OC)nc(N(C)C)n1,654168,18,-0.5933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(C(=O)OCC)N(C#N)c1nc(OC)nc(N(C)C)n1,1903670,18,-0.2715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CN(C#N)c1nc(NC(C)C)nc(OC)n1,785950,18,0.161,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNc1nc(SC)nc(N(C#N)CC(=O)OC)n1,785949,18,0.4858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1nc(SC)nc(N(C#N)CC(=O)OC)n1,742236,18,0.0957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CN(C#N)c1nc(SC)nc(N(C)C)n1,716441,18,0.12,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1nc(C#N)nc(N(C)C)n1,709138,18,-0.1821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1nc(N(C#N)CC(N)=O)nc(N2CCCC2)n1,MLS000045719-01,18,-0.7468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1,663995,18,3.0175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1,942803,18,3.3248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccc(Cl)cc12,664992,18,3.1889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCCC1CNc1ncnc2c1[nH]c1ccc(Cl)cc12,664853,18,3.6607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCCC1CNc1ncnc2c1[nH]c1ccc(F)cc12,664284,18,3.1464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccccc12,663928,18,2.5355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1,661700,18,2.8987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1,661621,18,2.5086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)NCc2ccc(Cl)cc2)sc2nc(-c3ccc(F)cc3)ccc12,1004121,18,5.268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2C)cc1C,2066742,18,2.533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc2ccccc2c1,1616653,18,3.0693,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)cc1C,MLS000534712-01,18,3.2584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1,MLS000574786-01,18,4.3789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1,6603221,18,4.0271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1,11957170,18,1.7926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nnc([C@@H](N)Cc3c[nH]c4ccccc34)o2)c(C)c1,6603605,18,4.5628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1,6603485,18,2.6944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1,6603344,18,4.5084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nnc([C@@H](N)Cc3c[nH]c4ccccc34)o2)c1C,6602829,18,4.5628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1,6602827,18,1.9142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]1,16010549,18,4.0297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[nH]2)cc1,16028856,18,3.472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CSc1nc(=O)c(C#N)c(-c2ccc(C(C)(C)C)cc2)[nH]1,16014977,18,4.3455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c2=O)cc1,16010551,18,4.4235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1,16010541,18,4.4187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(Cl)c(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]1,16010245,18,4.6014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(Cl)ccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1,15988540,18,3.536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1Br,R157753,11,5.1352,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(CO)c1Br,R185545,11,4.6275,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+CCCC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1,NCGC00086230-01,2,4.2707,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CSc1nc(-c2ccco2)nn1C(=O)c1ccco1,NCGC00085553-01,2,2.5415,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CSc1nc(-c2ccco2)nn1C(=O)c1ccc(C)cc1,NCGC00085615-01,2,3.2569,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CCc1ccccc1)n1nc(-c2ccco2)nc1SCc1ccccc1,MLS000522281-01,18,5.1034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccco1)n1nc(-c2ccccc2)nc1SCc1ccccc1,MLS000534967-01,18,4.5189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(SCc3ccccc3)n(C(=O)c3ccco3)n2)cc1,MLS000536323-01,18,4.5275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)n1nc(-c2ccccc2)nc1SC,MLS000550153-01,18,3.1073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1,NCGC00085724-01,2,2.5363,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCCCC1,NCGC00085732-01,2,2.5037,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCCN1CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1,NCGC00085405-01,2,4.0451,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCCN1CCNC(=O)c1cnn2ccccc12,NCGC00084784-01,2,1.9385,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1nc(-c2ccccc2F)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)sc21,MLS000520305-01,18,4.4644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,NCGC00085351-01,2,1.8963,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccco1)N1CCN(c2ncccn2)CC1,NCGC00085159-01,2,1.032,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2=NOC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1,NCGC00085319-01,2,1.7658,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCN(c2ccccc2)CC1,NCGC00085341-01,2,2.6675,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1,NCGC00085345-01,2,2.9036,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,NCGC00085347-01,2,1.6194,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,NCGC00085349-01,2,1.4828,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCN(c2ccccc2)CC1,MLS000118505-01,18,2.6675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)cc2s1,NCGC00085221-01,2,3.0028,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCCCCC3)C(C)C)cc2s1,NCGC00085176-01,2,3.3102,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCC(C)CC3)C(C)C)cc2s1,NCGC00085178-01,2,3.1661,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2s1,NCGC00085223-01,2,2.9664,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCCC3)C(C)C)cc2s1,NCGC00085241-01,2,2.53,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)NCc3cccs3)C(C)C)cc2s1,NCGC00085243-01,2,3.2855,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)NCc3ccco3)C(C)C)cc2s1,NCGC00085245-01,2,2.817,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1,NCGC00085115-01,2,2.4443,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccn3)CC2)c1,NCGC00085117-01,2,3.8816,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1,NCGC00085162-01,2,1.487,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCn1c(NCCO)nc2ccccc21,NCGC00084936-01,2,2.2406,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,NCGC00085698-01,2,2.775,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCn1c(NCc2ccccc2O)nc2ccccc21,NCGC00085742-01,2,4.1541,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCNc1nc2ccccc2n1CC(=O)N1CCc2ccccc21,ZINC12634103,15,3.8376,Shoichet Lab In House Data - Allison Doak
+CCCCn1c(N)nc2ccccc21,MLS000519038-01,18,2.8404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(N=C(S)Nc2ccccc2)nc2ccccc21,MLS000578243-01,18,4.8658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)C1,NCGC00033283-01,2,2.5385,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2)C1,MLS000697042-01,18,4.9028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N/N=C\c1ccccc1O)c1ccccc1O,NCGC00025356-01,2,1.8617,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NN=Cc1ccccc1O)C(=O)NN=Cc1ccccc1O,1_04,1,0.6982,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C(N/N=C/c1ccccc1O)C(=O)N/N=C/c1ccccc1O,S3218,8,0.6982,"Coan KE and Shoichet BK, Mol. BioSyst, 3, 208-213, (2007)"
+O=C(NN=Cc1cc2cc3c(cc2nc1Cl)OCCO3)c1ccccc1O,MLS000331772-01,18,3.1289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cc2c3c(c1O)CCCN3CCC2)c1ccccc1O,MLS000332414-01,18,2.5605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cn(-c2cccs2)nc1-c1ccccc1)c1ccccc1O,MLS000336705-01,18,4.0703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sccc1C=NNC(=O)c1cccc2ccccc12,MLS000700106-01,18,3.9736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1c(Cl)cccc1Cl)c1ccccc1F,MLS000703966-01,18,3.8964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(COc2cc(-c3cccc(OC)c3)nc3ccc(N)cc23)cc1,NCGC00159958-01,18,5.0802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(COc2cc(-c3cccc(OC)c3)nc3ccc(N)cc23)cc1,MLS000517775-01,18,5.0802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21,NCGC00141111-01,18,2.398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCCc3ccccc3)ccc21,NCGC00086351-01,2,2.0687,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CSc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(Cl)c2C)cc1,NCGC00139331-01,18,6.2398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(/C=C/c2cc(O)c3ccccc3n2)cc1,MLS000862523-01,18,4.8327,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O,NCGC00098610-01,18,4.9305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1c(/C=C/c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O,NCGC00098743-01,18,5.6542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-n1c(/C=C/c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O,NCGC00099353-01,18,5.3648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1,NCGC00139293-01,18,3.4455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(-n4cnnn4)cc3)c2)cc1,MLS000056243-01,18,2.7483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1,NCGC00139287-01,18,4.4734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2)CC1,NCGC00139280-01,18,5.2697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4Cl)CC3)cc3ccccc32)c1,NCGC00137666-01,18,6.1798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)s1,NCGC00128824-01,18,5.8224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1,NCGC00137628-01,18,5.9139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1F)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1,NCGC00137632-01,18,6.0105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Cn1c(CN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc2ccccc21,NCGC00137636-01,18,6.1798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3C)CC2)cc1,NCGC00137662-01,18,5.9251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)CSc2nc3ccccc3nc2Cc2ccc(Cl)cc2)cc1OC,NCGC00133963-01,18,5.3422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1OC,MLS000417705-01,18,4.9041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccc(Cl)cc3)n2)c1,MLS000590791-01,18,4.7333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4nc3Cc3ccc(Cl)cc3)CC2)cc1,NCGC00133965-01,18,5.3235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)N1CCc2c(sc(C)c2CC)C1c1ccccc1,NCGC00131726-01,18,6.1972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1,NCGC00131497-01,18,3.8581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(CN2CCc3nc(Nc4ccccc4)ncc3C2)s1,NCGC00131212-01,18,4.6025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CN1CCc2nc(Nc3ccccc3)ncc2C1,NCGC00131214-01,18,4.1772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1CN1CCc2nc(Nc3ccccc3)ncc2C1,NCGC00131216-01,18,4.1484,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1csc(CN2CCc3nc(Nc4ccccc4)ncc3C2)c1,NCGC00131220-01,18,4.6025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CN2CCc3nc(Nc4ccccc4)ncc3C2)cc1,NCGC00131222-01,18,4.3409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1,NCGC00131495-01,18,4.2031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1,NCGC00129493-01,18,3.4014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1,MLS000696973-01,18,4.3608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1,MLS000697028-01,18,4.6068,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc(C)c2)C(C)C1,NCGC00129525-01,18,4.2858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(F)c3)c12,NCGC00127541-01,18,4.9977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)c(OC)c1,MLS000336237-01,18,5.6654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c2c(C)nn(-c3cccc(F)c3)c2n1,NCGC00127374-01,18,5.4475,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-n2nc(C)c3c(C(=O)Nc4cccc(C(F)(F)F)c4)cc(C)nc32)cc1,NCGC00127437-01,18,5.8708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc(OC)c1,NCGC00127537-01,18,4.8758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3F)c12,NCGC00127539-01,18,4.9977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1,NCGC00127567-01,18,5.1842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(C(=O)Nc3ccc(C)cc3)[nH]n2)c1,NCGC00125635-01,18,3.646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1,NCGC00125661-01,18,3.8914,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(C(=O)N2CCC(C(=O)NCc3cccc(F)c3)CC2)c2cc(C)ccc2O1,NCGC00121617-01,18,4.2599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(C(=O)NCc2ccccc2)c2cc(C)ccc2O1,NCGC00121399-01,18,3.8822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(C(=O)NCc2ccc(C)cc2)c2cc(C)ccc2O1,NCGC00121401-01,18,4.1906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(C(=O)NCc2cccc(OC)c2)c2ccccc2O1,NCGC00121455-01,18,3.5824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(C(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c2ccccc2O1,NCGC00121467-01,18,3.9839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(C(=O)N2CCC(C(=O)NCCN(CC)CC)CC2)c2ccccc2O1,NCGC00121519-01,18,2.954,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)C1CCN(C(=O)N2CC(CC)Oc3ccc(C)cc32)CC1,NCGC00121593-01,18,4.5195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2ccc(O)c(CN3CCCCCC3)c2c1C(=O)Nc1cccc(Cl)c1C,NCGC00115685-01,18,6.0369,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1,NCGC00115520-01,18,5.7038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCCC4)c23)c(C)c1,NCGC00115658-01,18,5.692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCCC4)c23)cc1Cl,NCGC00115677-01,18,5.7371,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2ccc(O)c(CN3CCCCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1,NCGC00115679-01,18,6.0939,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCCC4)c23)cc1,NCGC00115683-01,18,5.3835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2ccc(O)c(CN(C)Cc3ccccc3)c2c1C(=O)Nc1cccc(Cl)c1C,NCGC00115711-01,18,6.2929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CCNC(=O)c1ccc(NC(=O)N2CC(C)Sc3ccccc32)cc1,NCGC00113683-01,18,5.2004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1,NCGC00111666-01,18,6.1484,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3,NCGC00110660-01,18,4.6891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(N)c(C(=O)Nc3ccccc3)sc2nc1N,MLS000544097-01,18,2.5847,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCc2nc3sc(C(=O)Nc4c(F)cccc4F)c(N)c3cc2C1,NCGC00102684-01,18,3.3969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CCc2nc3sc(C(=O)Nc4ccccc4OC(F)(F)F)c(N)c3cc2C1,NCGC00102718-01,18,4.4074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3,NCGC00110608-01,18,4.6977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3,NCGC00110630-01,18,5.3425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)ccc1Br,NCGC00106794-01,18,5.3049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCCCC1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1,MLS000521735-01,18,4.4343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1,NCGC00106690-01,18,4.0339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1,NCGC00106822-01,18,4.6327,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2sc3ccccc3c2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccco1,NCGC00105351-01,18,4.7209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2sc3ccccc3c2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccccc1,NCGC00105443-01,18,5.1279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2sc3ccccc3c21,NCGC00111690-01,18,4.3759,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CC(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)c1,NCGC00104382-01,18,5.2691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12,15988942,18,5.8658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc12,15988937,18,5.2544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N2CCC(C)CC2)nc2cccc(O)c12,MLS000522988-01,18,3.4851,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3)c3ccccc23)cc1,NCGC00104316-01,18,5.8927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1cnc(Nc2ccccc2OC)c2ccccc12,MLS000586217-01,18,5.2479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2ncc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc23)cc1,NCGC00104338-01,18,5.9099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2ncc(C(=O)Nc3cc(C)ccc3OC)c3ccccc23)cc1,NCGC00104350-01,18,5.5563,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)cc1,NCGC00104264-01,18,3.5351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCCCC3)c21,MLS000086502-01,18,3.3592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c21,MLS000086506-01,18,2.9554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCOCC3)c21,MLS000086512-01,18,1.3587,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCC3COc4ccccc4O3)c21,MLS000086516-01,18,2.8665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2,NCGC00104260-01,18,4.1114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1,NCGC00102563-01,18,4.4919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nc2c1,NCGC00102619-01,18,6.454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)cc1,NCGC00102093-01,18,4.121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)ccc21,MLS000052114-01,18,3.4345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc12,NCGC00099665-01,18,5.0859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)cc1C,NCGC00100519-01,18,5.0377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC(C)CC4)cc1,NCGC00102089-01,18,4.7571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccccc3C)cc12,NCGC00100059-01,18,6.1725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)O,MLS000530623-01,18,4.1575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12,NCGC00098922-01,18,5.3857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3c(F)cccc3Cl)cc12,NCGC00099491-01,18,6.1695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccc(Br)cc3)cc12,NCGC00099775-01,18,6.6266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccc(C(=O)OC)cc3)cc12,NCGC00100057-01,18,5.6507,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCc4nc5ccccc5[nH]4)c3)c3ccccc23)cc1,NCGC00100054-01,18,6.012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NS(=O)(=O)c2cc(-c3nnc(O)c4ccccc34)ccc2C)cc1,MLS000574053-01,18,4.42,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(NCc3nc4ccccc4[nH]3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1,MLS000587977-01,18,4.1145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(=O)(=O)NCc1nc2ccccc2[nH]1,NCGC00100032-01,18,5.7036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCc4nc5ccccc5[nH]4)c3)c3ccccc23)cc1,NCGC00100052-01,18,5.7122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc23)cc1S(=O)(=O)NCc1nc2ccccc2[nH]1,NCGC00100056-01,18,6.4661,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc23)cc1S(=O)(=O)NCC1CCCO1,NCGC00100088-01,18,5.5686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)c1C(=O)OCc1ccccc1,NCGC00099724-01,18,6.1913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12,MLS000090329-01,18,3.7767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc12,NCGC00098229-01,18,6.1953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OC(C)C)c(C)oc3c3ccccc23)cc1,NCGC00098900-01,18,5.269,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc12,NCGC00099687-01,18,5.4071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OCc4ccccc4)c(C)oc3c3ccccc23)cc1,NCGC00099699-01,18,6.6146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2c(cc(NS(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc32)c1C(=O)OCc1ccccc1,NCGC00099701-01,18,7.1756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCC(=O)OCC(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1,NCGC00099671-01,18,5.2771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1,MLS000574721-01,18,4.5405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CCC(=O)OCc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)cc1,MLS000582231-01,18,5.0299,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCC(=O)OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1)Nc1ccccc1,MLS000583227-01,18,5.0213,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)c3ccc(Br)cc3)cc2)c1C,NCGC00099643-01,18,6.003,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)nc(C)c2C(=O)Nc2ccccc2)cc1OC,NCGC00099327-01,18,6.5458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)OCc2ccccc2)c(C#N)c1-c1ccc(F)cc1,MLS000394551-01,18,6.464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(SCC(=O)OCc2ccccc2)c(C#N)c(-c2ccccc2)c1C(=O)Nc1ccccc1,MLS000555402-01,18,6.0165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c(C#N)c(SCC(=O)c3cc4ccccc4oc3=O)nc(C)c2C(=O)Nc2ccccc2)cc1,MLS000722243-01,18,6.271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc(C)c2C(=O)Nc2ccccc2)cc1OC,NCGC00099749-01,18,6.5824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1,NCGC00099083-01,18,5.2125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCCCC3)cc1,NCGC00098655-01,18,6.1125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2,3785629,18,5.0334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCCC2,MLS000416448-01,18,4.1607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2,NCGC00098495-01,18,5.4328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)c1c(NC(=O)C(C)Oc2cccc(Cl)c2)sc2c1CCCC2,NCGC00098525-01,18,6.247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1,NCGC00098419-01,18,6.698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)NC(=N)Nc2nc3ccccc3o2)cc1,MLS000533904-01,18,3.902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1,NCGC00098832-01,18,5.8184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1,NCGC00094381-01,18,3.1242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2ccccc2/C1=C\c1ccc2c(c1O)CCCC2,2_13,1,3.7637,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CC(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1,1_10,1,4.3027,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1,2_12,1,3.2453,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CC(C)c1ccc(C=C2C(=O)Nc3ccccc32)cc1,MFCD00118155,9,4.3027,"McGovern SL, Helfand, BT, Feng, B and Shoichet BK, J Med Chem, 46, 4265-4272 (2003)"
+CN(C)c1ccc(C=C2C(=O)Nc3ccccc32)cc1,3-[(4-dimethylaminophenyl)methylidene]-1H-indol-2-one,7,3.2453,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=C1Nc2ccccc2C1=Cc1ccc2c(c1O)CCCC2,"3-(1-Hydroxy-5,6,7,8-tetrahydro-naphthalen-2-ylmethylene)-1,3-dihydro-indol-2-one",7,3.7637,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+COc1cc2ccc(=O)oc2cc1O,NCGC00016349-01,18,1.5072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,5351506,18,-1.3227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2ccc(=O)oc2cc1O,5280460,18,1.5072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)cc2o1,NCGC00016491-01,18,-1.3227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2ccc(=O)oc2c1,NCGC00094841-01,18,1.8102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1ccc2ccc(O)cc2o1,NCGC00095801-01,18,1.4986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC.O=c1ccc2cc(O[C@H]3OC(CO)C(O)C(O)C3O)c(O)cc2o1,NCGC00096021-01,18,-1.0601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccccc1Cl,MLS000724667-01,18,5.1867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccc(Cl)cc1Cl,MLS000334916-01,18,5.149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C(=S)Nc2ccc(F)cc2)CC1,MLS000723184-01,18,3.5895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)c1ccc(F)cc1,MLS000555370-01,18,3.0754,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C(=S)Nc2ccccc2)CC1,MLS000564454-01,18,3.4504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C(=S)Nc2ccc(Cl)cc2)CC1,MLS000574190-01,18,4.1038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=S)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1,MLS000577173-01,18,3.7588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)c1ccc(Cl)cc1,MLS000577851-01,18,3.5897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2C(=O)c2cccc([N+](=O)[O-])c2)cc1,MLS000722991-01,18,5.2483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1,MLS000416777-01,18,3.4802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CSc1nnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1,MLS000722369-01,18,2.262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1,MLS000722224-01,18,0.9986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1,MLS000697418-01,18,1.6885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(F)ccc1S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12,MLS000697423-01,18,1.8276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1c[nH]c2ccccc12)C(=O)NCC1OCCCN1S(=O)(=O)c1ccc(F)cc1,MLS000697438-01,18,1.5192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1c[nH]c2ccccc12)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(Cl)cc1,MLS000722177-01,18,1.6434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1C,MLS000722196-01,18,1.307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(O)cc1)c1ccccc1,MLS000707828-01,18,4.3277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)C(OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1,MLS000374562-01,18,5.4844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(N(C)C)cc1)c1ccccc1,MLS000409064-01,18,4.6881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2sc(Cc3ccc4c(c3)OCO4)c(C)c2C(N)=O)cc1,MLS000696906-01,18,4.0356,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)c2ccccc2)sc(Cc2ccccc2)c1C,MLS000545181-01,18,4.6862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(Cc2ccccc2)c1C,MLS000562640-01,18,4.9946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2cccc3ccccc23)c1C(N)=O,MLS000696916-01,18,4.8804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/Nc1ccc(Br)cc1F)c1ccccc1,MLS000679083-01,18,4.3967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/NNC(=O)c1cccc(Br)c1)c1ccccc1,MLS000532538-01,18,3.0801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)Nc1ccc(Br)cc1F,MLS000578569-01,18,4.2322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/Nc1ccc(F)cc1Br)c1ccccc1,MLS000662674-01,18,4.3967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/Nc1ccccc1F)c1ccc(Br)cc1,MLS000686553-01,18,4.3967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1,MLS000677204-01,18,2.8272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=S)NC(=O)c1ccc(Br)o1)c1ccccc1,MLS000666286-01,18,2.5293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=S)NC(=O)C1CCCCC1)c1ccccc1,MLS000676957-01,18,2.4403,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)NC2CCCCC2)c(C)c1,MLS000666586-01,18,3.7576,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(=O)NC1CCCCC1,MLS000063049-01,18,4.1026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)Nc1cc(OCC)c(NC(=O)NC2CCCCC2)cc1OCC,MLS000073495-01,18,4.6768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)NC1CCCCC1,MLS000532530-01,18,3.8028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)NC1CCCCC1,MLS000533607-01,18,3.7032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1,MLS000533912-01,18,2.3824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(CC)c1NC(=O)NC1CCCCC1,MLS000686576-01,18,4.2656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)Cc2ccccc2)o1,MLS000592208-01,18,3.856,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)N1CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,MLS000589861-01,18,5.1309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCCC1)N1c2ccccc2Sc2ccccc21,MLS000051442-01,18,3.9117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,MLS000559627-01,18,6.5481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1,MLS000559728-01,18,6.5567,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)N1CC(=O)N1c2ccccc2CCc2ccccc21,MLS000568408-01,18,3.7461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)NCCc2ccc(Cl)cc2)sc2ccc(S(=O)(=O)N3CCCCC3)cc12,MLS000586637-01,18,4.284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)NCCC2=CCCCC2)sc2ccc(S(=O)(=O)N3CCCCC3)cc12,4253421,18,4.2784,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1C=NNc1nc2ccccc2s1,MLS000583439-01,18,4.1122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1C=NNc1nc(Cl)c(Cl)cc1Cl,MLS000565667-01,18,4.8577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1C=NNc1ncc(Cl)cc1Cl,MLS000567748-01,18,4.2043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1csc(C=NNc2nc3ccccc3s2)c1,MLS000583437-01,18,4.5663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=NNc1nc2ccccc2s1)c1cccn1CCOc1ccccc1,MLS000589685-01,18,4.6228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=NNc1nc2ccccc2s1)c1cccn1CCCOc1ccccc1,MLS000589687-01,18,5.0129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1,MLS000582379-01,18,3.8281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1,MLS000579875-01,18,3.9006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)c(C)c1,MLS000581695-01,18,4.6711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1,MLS000579011-01,18,4.4387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc(C)cc(C)c1,MLS000582675-01,18,4.3627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1,MLS000581649-01,18,4.4471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2)c1CSc1ccc(Cl)cc1,MLS000580338-01,18,2.9421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(OC)cc3)nnn2-c2nonc2N)cc1,MLS000331442-01,18,2.4608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NN=Cc1ccccc1)c1nnn(-c2nonc2N)c1C,MLS000544319-01,18,1.384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(OC)cc3)nnn2-c2nonc2N)cc1,MLS000580868-01,18,2.0707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Br)cc2)c1CSC1=NCCS1,MLS000588512-01,18,2.0949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Br)ccc2O)c1CSC1=NCCS1,MLS000589102-01,18,1.8005,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CSC1=NCCS1,MLS000589628-01,18,1.341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1,MLS000578458-01,18,4.9654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1,MLS000544434-01,18,6.142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(C)c1,MLS000579320-01,18,5.6234,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(Cl)cc1Cl)Nc1ccccc1,MLS000576887-01,18,4.149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(Cl)cc1Cl)c1sccc1-n1cccc1,MLS000327093-01,18,4.6095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1ccc(Cl)cc1Cl,MLS000375040-01,18,3.3242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(=O)NN=Cc1ccc(Cl)cc1Cl)NCc1ccccc1,MLS000557129-01,18,3.15,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccc(Cl)c1Cl)Nc1ccccc1,MLS000576853-01,18,4.149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(Cl)cc1Cl)c1[nH]nc2c1CCCC2,MLS000590064-01,18,3.3592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1C,MLS000576782-01,18,4.6417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(=O)CCNc2ccc(C)c(Cl)c2)cc1,MLS000581968-01,18,5.1221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1,MLS000576608-01,18,3.3673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1,MLS000576214-01,18,3.4764,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1O,MLS000577814-01,18,2.4288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-],MLS000574745-01,18,4.1007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])n1)c1ccccc1[N+](=O)[O-],MLS000552927-01,18,3.4026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1Cl,NCGC00134948-01,18,5.4392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(Br)cc1,MLS000574698-01,18,6.3021,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)ccc1NC(=O)c1ccccc1,MLS000112969-01,18,2.9529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1,MLS000582362-01,18,6.0679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccc(Cl)cn1)C(c1ccccc1)c1ccccc1,MLS000574081-01,18,4.3801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1,MLS000577144-01,18,4.9262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCC1=CCCCC1)C(=O)NCc1ccccc1,MLS000573607-01,18,2.3095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)NCCC1=CCCCC1,MLS000054089-01,18,2.1014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCC1=CCCCC1)C(=O)NCc1ccccc1Cl,MLS000582260-01,18,2.9629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1,MLS000573396-01,18,5.5675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2cnn(-c3ccccc3)c2nc(-c2cccs2)n1-c1cccc(Cl)c1,MLS000572750-01,18,4.9533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc(-c2cccc(Cl)c2)nc2c1cnn2-c1ccccc1,MLS000533081-01,18,3.6941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2cnn(-c3ccccc3)c2nc(-c2cccs2)n1-c1ccc(Cl)cc1,MLS000572728-01,18,4.9533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(Cl)c2)cc1,NCGC00098851-01,18,5.2002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)c1,NCGC00098855-01,18,5.2002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccccc1C,MLS000571700-01,18,5.593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)Nc1cc(Cl)ccc1O,MLS000078111-01,18,3.3065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,MLS000538823-01,18,5.436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)c1cccc(COc2ccccc2Cl)c1,MLS000539058-01,18,4.9579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(NN=Cc2cccs2)SC1Cc1cccc(Cl)c1Cl,MLS000571325-01,18,4.2191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1SC(NN=Cc2cccs2)=NC1=O,MLS000545579-01,18,2.4697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(Nc2cccc(Cl)c2)SC1Cc1cccc(Cl)c1Cl,MLS000568378-01,18,5.2994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(NN=Cc2cccs2)SC1Cc1cccc(Cl)c1,MLS000571330-01,18,3.5657,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(NN=Cc2cccs2)SC1Cc1ccc(Cl)cc1Cl,MLS000572011-01,18,4.2191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(Nc2ccc(Cl)cc2)SC1Cc1cccc(Cl)c1Cl,MLS000591170-01,18,5.2994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC1SC(NN=Cc2cccs2)=NC1=O,MLS000703901-01,18,2.8598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1-c1ccccc1)NN=Cc1cccc2ccccc12,MLS000568347-01,18,5.0359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(=O)NC1CCCCC1)NN=Cc1cccc2ccccc12,MLS000555411-01,18,3.1289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)n2c(-c3ccccc3)cnc2SCC(=O)Nc2ccccc2)cc1,MLS000566446-01,18,5.2778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)n1nc(-c2cccc(C)c2)nc1SCC(=O)Nc1ccccc1,MLS000556643-01,18,3.6444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2c(C)cccc2C)cc1,MLS000559748-01,18,5.984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)n2c(-c3ccccc3)cnc2SCC(=O)Nc2ccc(C)cc2C)cc1,MLS000566547-01,18,5.8947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2)c1C,MLS000565648-01,18,4.4366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCSc2ccccc2)c1C,2445171,18,3.7165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)c2ccccc2Cl)c1C,2417851,18,2.6175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccccc2)c1C,MLS000054049-01,18,3.7832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(Cl)ccc2C)c1C,MLS000093230-01,18,4.0224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Cl)cc2)c1C,MLS000118941-01,18,3.7139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c(C)c(C(=O)c2ccc(C)cc2)c1C,MLS000531971-01,18,3.3477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1,MLS000558769-01,18,4.7197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1,MLS000574735-01,18,4.8288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)C1CC1c1ccccc1)c1cccc([N+](=O)[O-])c1,MLS000558737-01,18,3.2387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)C1CC1(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1,MLS000562823-01,18,4.4412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1cccc([N+](=O)[O-])c1,MLS000591715-01,18,2.6341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNc1ccc([N+](=O)[O-])cc1)C1CC1c1ccccc1,MLS000700716-01,18,2.8416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C(/C#N)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1,MLS000558312-01,18,4.8549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)SC1=Nc1ccccc1,MLS000547554-01,18,5.0411,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1,MLS000577935-01,18,4.0227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1,MLS000582974-01,18,4.994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NNC(=O)c1[nH]nc2c1CCC2)=C\c1ccccc1,MLS000556359-01,18,2.7175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C/C=C/c1ccccc1)c1[nH]nc2c1CCC2,MLS000526878-01,18,2.3274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C/C(Br)=C\c1ccccc1)c1[nH]nc2c1CCC2,MLS000532021-01,18,3.05,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NNC(=O)c1ccc(Br)cc1)=C\c1ccccc1,MLS000532979-01,18,4.2682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NNC(=O)c1cc(-c2ccc(C)s2)[nH]n1)=C\c1ccccc1,MLS000591352-01,18,4.2657,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2cc3c(N)c(C(=O)N4CCc5ccccc5C4)sc3nc2c1,MLS000555745-01,18,4.847,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc3sc(C(=O)N4CCCc5ccccc54)c(N)c3cc2c1,MLS000551061-01,18,4.9331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc3c(N)c(C(=O)N4CCCc5ccccc54)sc3nc12,MLS000551885-01,18,4.9331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc3c(N)c(C(=O)N4CCc5ccccc54)sc3nc12,MLS000553015-01,18,4.543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc3c(N)c(C(=O)N4CC(=O)Nc5ccccc54)sc3nc2c1,MLS000556128-01,18,3.939,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1,MLS000556129-01,18,5.3536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCc4ccccc4C3)c2c1,MLS000582203-01,18,5.4087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NC(=O)c1ccc(F)cc1)Nc1nc2ccccc2o1,MLS000555000-01,18,2.7436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1nc2ccccc2o1,MLS000027450-01,18,3.8568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(/C=C/c2nc3ccccc3o2)cc1)c1ccc(F)cc1,MLS000326479-01,18,5.3896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N=C(N)Nc2nc3ccccc3o2)cc1,MLS000533251-01,18,2.7032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NC(=O)c1ccccc1)Nc1nc2ccccc2o1,MLS000554996-01,18,2.6045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NC(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2o1,MLS000699211-01,18,3.2579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(nc1SCc1ccccc1)CCCC2,MLS000554405-01,18,4.1244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(SCc2ccccc2)nc(N2CCOCC2)c2c1CCCC2,MLS000109305-01,18,3.961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc2c(nc1SCc1ccc(Cl)cc1)CCCC2,MLS000525730-01,18,4.7778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NN=C(N)S)cc1OC(=O)c1ccccc1,MLS000545060-01,18,2.4928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C=NNC(=O)c2cccs2)c(C)n1-c1ccccc1,MLS000543660-01,18,3.9195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(Cl)cc1,5346075,18,2.9146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3cccc([N+](=O)[O-])c3C)c2C)c1,MLS000325265-01,18,4.6915,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C=NNC(=O)c2cccs2)c(C)n1-c1ccc2ncccc2c1,MLS000546109-01,18,4.4677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1cccs1,MLS000556991-01,18,4.091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(C)cc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)cc1,MLS000566526-01,18,5.021,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)NC1CCCCC1,MLS000539321-01,18,4.5063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(F)cc1,MLS000039516-01,18,3.992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1,MLS000050118-01,18,4.1613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1,MLS000050494-01,18,3.8529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)NC1CCCCC1,MLS000538384-01,18,4.6388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(c1ccccc1)N1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1,MLS000539322-01,18,5.0673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cnnc1SCC(=O)c1ccc2c(c1)OCCO2,MLS000537946-01,18,1.5613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)OCCO2,MLS000029295-01,18,3.4682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1C1COc2ccccc2O1,MLS000060572-01,18,3.0313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2ccccc2c1C(=O)CSc1nncn1C,MLS000528110-01,18,2.5798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)c1ccc2c(c1)OCCO2,MLS000556791-01,18,4.9668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C2\SC(N)=NC2=O)c(C)n1-c1ccccc1,MLS000533241-01,18,3.0231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC1=NC(=O)/C(=C\C=C\c2ccccc2)S1,MLS000561722-01,18,2.1718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1,MLS000571801-01,18,4.5567,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C2\SC(N)=NC2=O)s1,MLS000573313-01,18,1.9855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC1=NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)S1,MLS000573326-01,18,2.3833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N)=NC2=O)cc1,MLS000591235-01,18,4.2571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C,MLS000722975-01,18,4.9002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1,MLS000533123-01,18,3.7798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(C)CSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N,NCGC00052954-01,2,4.0508,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)o1,MLS000061666-01,18,3.3728,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c2c(nc(N)c1-c1ccccc1)CCCCC2,MLS000109063-01,18,3.4714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N)nc2c(c1-c1ccc(Br)s1)CCCC2,MLS000331685-01,18,3.9053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1,MLS000533302-01,18,4.5948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1,MLS000543619-01,18,4.4403,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2ccccc2cc1-c1nc(-c2cccs2)cs1,MLS000531986-01,18,4.645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ncc(-c2cc3ccccc3oc2=O)s1,MLS000038134-01,18,2.4987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2ccccc2cc1-c1nc2c(s1)CCc1ccccc1-2,MLS000551838-01,18,4.6821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1oc2ccccc2cc1-c1nc(-c2ccccc2)cs1,MLS000589906-01,18,4.7028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1,MLS000589982-01,18,5.3562,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(-c3cc4ccccc4oc3=N)n2)cc1,MLS000589983-01,18,4.7114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1,MLS000529035-01,18,5.4816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C,NCGC00030498-01,2,3.8573,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C,MLS000033915-01,18,3.8573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1,MLS000527393-01,18,1.8525,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)Nc1nc(-c2cccs2)c(NC(C)=O)s1,MLS000523513-01,18,4.0909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)NCCC(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1,MLS000336350-01,18,4.0648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1sc(NC(=O)c2cc3ccccc3oc2=O)nc1-c1cccs1,MLS000583484-01,18,4.7927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1sc(NN=Cc2ccccc2)nc1-c1cccs1,MLS000591236-01,18,4.276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1sc(NN=Cc2cccc(Cl)c2)nc1-c1cccs1,MLS000591405-01,18,4.9294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)Nc1sc(Nc2ccccc2)nc1C(N)=O,NCGC00133545-01,18,3.2465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)c1cccc2nsnc12,MLS000523036-01,18,3.1365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nn(S(=O)(=O)c2cccc3nsnc23)cc1-c1ccc(Br)cc1,NCGC00053991-01,2,3.1365,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc1,MLS000051366-01,18,2.7727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc1,MLS000052656-01,18,2.6824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nn(S(=O)(=O)c2cccc3nsnc23)cc1-c1ccc(Br)cc1,MLS000052740-01,18,3.1365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(-c2ccccc2)nn1S(=O)(=O)c1ccc(Br)cc1,MLS000522990-01,18,3.1318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1cccc2nsnc12,MLS000523022-01,18,3.0274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCNC(=O)C(NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1,MLS000522972-01,18,1.4191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)Nc3cccnc3)c3ccccc3)ccc2n(C)c1=O,NCGC00084760-01,2,1.2905,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NC3CCCCC3)c3ccccc3)ccc2n(C)c1=O,MLS000522968-01,18,1.7057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)C(NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1,MLS000522970-01,18,2.2039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1,MLS000521777-01,18,2.8296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(C)c1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,MLS000116783-01,18,4.0407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)o2)c2ccccc12,MLS000518259-01,18,5.7996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(C)c4ccccc34)o2)cc1,6096196,18,4.8353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2ccc(C(=O)NCc3ccccc3)o2)c2ccccc12,MLS000518243-01,18,5.3382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2ccc(C(=O)Nc3ccccc3)o2)c2ccccc12,MLS000518252-01,18,5.6605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc(-c3ccc(C)c4ccccc34)o2)cc1,MLS000518256-01,18,5.6691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1,MLS000533513-01,18,6.1225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1,MLS000417873-01,18,4.521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1,MLS000334328-01,18,4.9349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(CNC(=O)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1,MLS000335751-01,18,4.6675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(CNS(=O)(=O)c2ccc3ccccc3c2)c2c[nH]c3ccccc23)cc1,MLS000394847-01,18,5.4975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(CNS(=O)(=O)c2ccc(F)c(F)c2)c2c[nH]c3ccccc23)cc1,MLS000417348-01,18,4.6225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2cc1C,MLS000416537-01,18,3.5281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(CN3CCCc4ccccc43)c2cc1C,MLS000056416-01,18,4.3626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(CN3CCN(C/C=C/c4ccccc4)CC3)cc(=O)oc2c1,MLS000083760-01,18,4.2408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccs4)CC3)c2cc1C(C)C,MLS000707785-01,18,3.7928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1,MLS000402272-01,18,2.4794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1ccc(F)cc1,MLS000395046-01,18,5.5225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1ccc(F)cc1Cl,MLS000374578-01,18,6.1759,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)cc1,MLS000393789-01,18,4.6284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2N2CCCCC2)cc1,MLS000417062-01,18,5.2551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1S(=O)(=O)Nc1ccccc1Cl,MLS000394969-01,18,5.6418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cc2c(s1)CCCC2,MLS000393162-01,18,5.6418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(=O)(=O)Nc1ccccc1Cl,MLS000393848-01,18,5.8854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)c1Cl,MLS000393038-01,18,4.6322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cnc(NC(=O)COC(=O)c2cc3c(s2)CCC(C)C3)c1Cl,MLS000334262-01,18,4.6786,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)s1,MLS000336699-01,18,4.317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)cc1C,MLS000336700-01,18,4.6254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1,MLS000391310-01,18,4.3045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1,MLS000375399-01,18,4.9579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1[N+](=O)[O-],MLS000375423-01,18,4.6129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl,MLS000391311-01,18,4.9579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1,MLS000391323-01,18,4.4436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(S)=NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1,MLS000389477-01,18,4.8211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=N/C(=C\c3c(C)nn(-c4ccccc4)c3N3CCCC3)C(=O)O2)cc1,2328158,18,4.4338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NN=C(S)Nc1ccccc1F,MLS000374921-01,18,4.6518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NN=C(S)Nc1ccccc1C(F)(F)F,MLS000389478-01,18,5.5315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3c(C)nn(-c4ccccc4)c3N3CCCC3)cc2)cc1,MLS000401626-01,18,4.7443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1,MLS000417815-01,18,4.999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(C=NN=C(N)S)c(C)nn1-c1ccccc1,MLS000585116-01,18,1.7677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1)S(=O)(=O)c1ccccc1,MLS000374736-01,18,4.1389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc4ccccc4s3)cc2)cc1,MLS000416823-01,18,4.4473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)cc2)CC(C)O1,MLS000374456-01,18,4.6065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Br/C(C=NNc1nc2ccccc2[nH]1)=C\c1ccccc1,MLS000335374-01,18,4.3966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1N(C(=O)c1ccccc1)c1nc2ccccc2s1,MLS000334161-01,18,5.5918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1N(C(=O)c1cccc(F)c1)c1nc2ccccc2s1,MLS000389184-01,18,5.7309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1N(C(=O)c1ccc(F)cc1)c1nc2ccccc2s1,MLS000389215-01,18,5.7309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1N(C(=O)COc1ccccc1)c1nc2ccccc2s1,MLS000390400-01,18,5.357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1N(C(=O)COc1cccc(F)c1)c1nc2ccccc2s1,MLS000394477-01,18,5.4961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N(C(=O)c1cccs1)c1nc2ccccc2s1,MLS000535957-01,18,5.6447,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N(Nc2nc3ccccc3s2)C(=O)c2ccc(C)cc2)cc1,MLS000587813-01,18,5.2228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1,MLS000325720-01,18,5.7163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1,MLS000325710-01,18,5.202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccccc1,MLS000325740-01,18,5.0629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)c(F)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1,MLS000325750-01,18,5.3411,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)c1Cl,MLS000326616-01,18,4.6462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)cc1,MLS000540237-01,18,6.3117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1,MLS000121912-01,18,2.6957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(O)n(C2CCCCC2)c(SCC(=O)Nc2ccc(OC)cc2)nc1=O,MLS000043344-01,18,3.7559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nccn1C1CCCC1)Nc1ccccc1,NCGC00141794-01,18,3.729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)C(=O)NCC1COc2ccccc2O1,MLS000121252-01,18,1.259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2c(NCc3ccc(C(=O)NCC4COc5ccccc5O4)cc3)c(=O)c2=O)CC1,NCGC00085638-01,2,2.7008,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCC1COc2ccccc2O1)c1cn(Cc2ccc(F)cc2)nn1,MLS000075699-01,18,2.0353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1,MLS000579510-01,18,5.027,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N1C(=O)C(Cl)=C(N2CCN(c3ccccc3)CC2)C1=O,MLS000110333-01,18,3.1408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2C(=O)C(Cl)=C(N3CCN(Cc4ccccc4)CC3)C2=O)cc1,1191328,18,2.8366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1,1180676,18,2.5644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(Cl)c1,779063,18,1.9958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1Cl,729270,18,2.3042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)CC1,MLS000110278-01,18,1.911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)C(Cl)=C(N3CCN(C)CC3)C2=O)c(C)c1,MLS000526895-01,18,1.8744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1nc(O)c2cnn(-c3ccc(Cl)cc3)c2n1)C(=O)OC,MLS000101085-01,18,3.2182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)c1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1,MLS000096596-01,18,3.3629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2nc(NC(=O)CCCc3cccs3)sc2c1,MLS000535983-01,18,4.8816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccs1)Nc1cccs1,MLS000094288-01,18,3.1313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)Nc1cccs1,MLS000093633-01,18,3.0784,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1CNC(=O)Nc1cccs1,MLS000520596-01,18,3.8409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2cccs2)CCCCC1,MLS000549810-01,18,4.028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)NC1(C(=O)NCc2cccs2)CCCCC1,MLS000556759-01,18,3.8889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CSc2nccn2-c2ccccc2)c(OC)c1,MLS000090718-01,18,3.6203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1ccc2c(OCC(=O)Nc3ccc(OC)cc3OC)cccc2c1=O,NCGC00136936-01,18,3.0561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)o1,MLS000089210-01,18,4.2208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1ccc(COc2ccccc2Br)o1,MLS000088844-01,18,4.3299,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)cc1,MLS000088944-01,18,4.213,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1ccc(-c2ccccc2Cl)o1,MLS000557786-01,18,4.3088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1,MLS000085544-01,18,3.1426,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1nc(-c2ccccc2)cs1,MLS000331605-01,18,1.2941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1nc(-c2ccc(F)cc2)cs1,MLS000580373-01,18,1.2941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)c1,MLS000083189-01,18,5.3179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)n2nc(N)cc2-c2ccc(Cl)cc2)c1,NCGC00085487-01,2,3.8745,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)no1,MLS000521292-01,18,5.3198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1,MLS000082123-01,18,4.7171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCc2nc(-c3ccc(Br)cc3)no2)nnc1-c1ccco1,MLS000537730-01,18,4.1799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)cc1,MLS000080464-01,18,4.0243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(c1ccccc1)C2,MLS000039687-01,18,4.0243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCc4ccccc43)ncc21,MLS000041460-01,18,4.2226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21,MLS000041775-01,18,3.855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(=O)c3c(C)nc(N4CCN(c5ccccc5)CC4)nc3C2)cc1,MLS000084221-01,18,4.0329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc4C3)ncc21,MLS000557589-01,18,3.952,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1,MLS000557830-01,18,4.2604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1,MLS000074059-01,18,4.2456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CN(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c2cc(Cl)ccc2O1,NCGC00121445-01,18,4.766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1ccccc1)c1ccc2c(c1)OCCCO2,MLS000067575-01,18,3.6634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1CCc2ccccc2C(c2ccccc2)C1)c1ccc2c(c1)OCCO2,9550046,18,5.1426,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1CCCC1Cc1ccccc1)c1ccc2c(c1)OCCO2,2893298,18,4.1595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1,MLS000544811-01,18,4.7008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NC(Cc2ccccc2)c2ccc3c(c2)OCCCO3)c1,MLS000544818-01,18,4.5703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cnccn1)C1c2ccccc2Oc2ccccc21,MLS000065936-01,18,3.3529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cnccn1)c1ccncc1,MLS000066285-01,18,1.1239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc21,MLS000055805-01,18,4.4063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nc3ccccc3n2CCC#N)c(C)n1Cc1cccs1,NCGC00038925-01,2,5.4531,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1c[nH]c2ccccc12,MLS000394957-01,18,5.1202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2cc(S(=O)(=O)N3CCOCC3)ccc21,MLS000416507-01,18,3.5334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCC(=O)c1c[nH]c2ccccc12,MLS000417965-01,18,3.9625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C)C3)cs1,MLS000051730-01,18,4.3668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2occ(CC(=O)OCC(=O)Nc3sc4c(c3C#N)CCC(C)C4)c2cc1C,MLS000334111-01,18,4.832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2c(sc(NC(=O)C(=O)NCc3ccco3)c2C#N)C1,MLS000538589-01,18,2.5925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC(C)C4)c3ccccc3n2)c1,MLS000582201-01,18,6.2293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1,MLS000051516-01,18,2.4806,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c1,MLS000115855-01,18,2.8315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(N2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1,MLS000050235-01,18,4.7464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1,MLS000334670-01,18,4.6849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1,MLS000335362-01,18,5.0601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1,MLS000335363-01,18,4.921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1,MLS000335847-01,18,5.5744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1,MLS000388979-01,18,5.2294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N1CCN(c2ncnc3scc(-c4cccs4)c23)CC1,MLS000557625-01,18,5.0548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCOCC1,MLS000042314-01,18,4.2823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(-c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1,2218798,18,4.5648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCCCC1,MLS000115273-01,18,4.2682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)NCc1ccccc1,MLS000035522-01,18,2.9296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccccc2)o1,NCGC00039214-01,2,3.7267,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=S(=O)(c1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1)N1CCCC1,MLS000027122-01,18,3.8634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C1CCCC1)c1nc(-c2ccccc2O)cs1,MLS000034824-01,18,4.3669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C1CCCC1)c1nc(-c2ccccc2O)cs1,NCGC00036097-01,2,4.3669,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#CC(=C1SC=CS1)c1nc(-c2ccccc2)cs1,NCGC00040070-01,2,4.9535,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N,NCGC00044164-01,2,5.7385,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N,MLS000089891-01,18,5.7385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C1SC=CS1)c1nc(-c2ccccc2)cs1,MLS000098006-01,18,4.9535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)CC1,MLS000562723-01,18,5.4038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1,MLS000032228-01,18,3.0991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1C,MLS000032789-01,18,2.7176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CC3(C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C)(C2)C3)cc1,MLS000521524-01,18,3.4149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1,MLS000585955-01,18,3.3411,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,MLS000031870-01,18,2.3822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)N1CCCC1,MLS000098896-01,18,2.4908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1,MLS000123244-01,18,2.6906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)=C(N)N2)cc1,MLS000028002-01,18,3.5939,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)NC(SCc2ccc(Cl)cc2)=C(C#N)C12CCCCC2,MLS000028005-01,18,4.556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)NC(SCc2ccc(F)cc2)=C(C#N)C12CCCCC2,MLS000028006-01,18,4.0417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)NC(SCc2ccccc2)=C(C#N)C12CCCCC2,MLS000106028-01,18,3.9026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)C12CCCC2,MLS000532289-01,18,3.8486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CSc2nc(N)nc(SC)c2C#N)cc1,MLS000537030-01,18,2.636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)NC(SCc2ccc(Br)cc2)=C(C#N)C12CCCCC2,MLS000594415-01,18,4.6651,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1,72430,18,2.8638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cccc(NC(=O)COC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c1,15945210,18,3.3219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(C=O)CCCN=C(N)N,6852398,18,-1.7182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,6604907,18,3.9783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1c(F)cccc1F,2642490,18,3.3975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)OCc1ccccc1,99625,18,3.332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,73364,18,3.2014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)cc1,156524,18,3.9052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)o2)cc1,NCGC00084928-01,2,4.7323,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c(Cl)c1,1116759,18,5.212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1,645680,18,4.6677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1,MLS000050855-01,18,3.5286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1cncc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1,MLS000062679-01,18,3.3002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc2[nH]c(SCc3nnc(-c4ccccc4)o3)nc2c1,MLS000072684-01,18,4.5586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N2CCOCC2)nc(-c2ccco2)c2c1CCCC2,658252,18,2.9287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccccc4Cl)CC3)nc(-c3ccco3)c2CS1,3699645,18,5.397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NCCCO)nc(-c2ccco2)c2c1CCCC2,1888319,18,2.8864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NC2CCCCC2)nc(-c2ccco2)c2c1CCCC2,845278,18,4.8367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccco4)CC3)nc(-c3ccco3)c2CS1,658547,18,4.3366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccccc4)CC3)nc(-c3ccco3)c2CS1,658469,18,4.7436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21,664737,18,2.1205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21,665725,18,1.6376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)/C=C/c2ccc3c(c2)OCO3)s1,898096,18,3.0307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCCNC(=O)/C=C/c1ccc2c(c1)OCO2,MLS000678772-01,18,2.2766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)no1,3000182,18,2.099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)Nc1c(Cl)cccc1Cl,2358443,18,4.5779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(Cc1ccccc1)C(=O)OCC(=O)N1CCc2ccccc21)c1ccco1,MLS000054091-01,18,2.7532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1,MLS000081729-01,18,0.4531,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl,MLS000567322-01,18,3.3232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1,3094956,18,4.0007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)NC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)c1,2830014,18,3.0551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)NC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl,2829993,18,3.0551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C,3671251,18,4.3352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1NC(=O)CCC(=O)Nc1cc(Cl)ccc1C,ZINC670958,16,4.9676,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+CSCCC(NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N,4332475,18,3.8985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1,3552366,18,3.6818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(F)cc1,2406978,18,1.8966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1NC(=O)CCC(=O)Nc1cc(Cl)ccc1C,MLS000535625-01,18,4.9676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(N)=S,9594087,18,2.5311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)SCC(=O)Nc1ccc(Cl)c(Cl)c1,NCGC00079939-01,2,2.7438,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(N)=S,9594082,18,2.5311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(N)=S,5332731,18,2.5311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)NNC(=O)Nc1ccc(Cl)c(Cl)c1,5215431,18,1.8631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=NNC(=O)c1cc2ccccc2cc1O,MLS000554499-01,18,5.3521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)c1,NCGC00085720-01,2,3.5695,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)cc1OC,NCGC00085699-01,2,3.4356,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1,NCGC00085701-01,2,3.4356,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)cc1OC,NCGC00085702-01,2,3.5781,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1ccccc1NC(=O)Nc1nnc(N2CCCCC2C)s1,NCGC00085722-01,2,3.3475,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)c1C,MLS000522784-01,18,4.1777,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1Cc1ccc2c(c1)OCO2,NCGC00085586-01,2,3.9532,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(O)N1Cc1ccc2c(c1)OCO2,NCGC00085576-01,2,2.0622,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1,NCGC00085578-01,2,4.1992,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1,NCGC00085582-01,2,4.2125,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1cccc(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1,NCGC00085584-01,2,4.3846,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)CCc1ccccc1,NCGC00084815-01,2,1.6931,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC/C=C(/CCC)C(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1,NCGC00074367-01,2,6.7031,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC/C=C(/CCC)C(NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1,NCGC00074394-01,2,6.2516,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC/C=C(/CCC)C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1,NCGC00074403-01,2,6.0382,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCC/C=C\C(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1,NCGC00074406-01,2,5.9229,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC/C=C(/CCC)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)OC)cc1,NCGC00074368-01,18,6.6864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC/C=C(/CCC)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1,NCGC00074385-01,18,6.2516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(=C\C1CCCCC1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1,NCGC00074401-01,18,8.3701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C)C)c2oc(=O)cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c12,NCGC00160008-01,18,7.5776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(-c2ccc(-c3cc(=O)oc4c(C(C)C)ccc(C)c34)cc2)cc1,NCGC00159927-01,18,6.7614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2ccc(-c3cc(=O)oc4c(C(C)C)ccc(C)c34)cc2)cc1,NCGC00160019-01,18,6.8672,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2cccc(-c3cc(=O)oc4cc5c(cc34)OCO5)c2)c1,NCGC00159881-01,18,5.1641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(-c2cccc(-c3cc(=O)oc4ccc(C(C)(C)C)cc34)c2)cc1,NCGC00159826-01,18,6.6271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c1,NCGC00141724-01,18,3.7845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)CSc2ccc(-c3cccs3)nn2)c1,MLS000696737-01,18,4.5527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1C,NCGC00115517-01,18,4.0168,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,NCGC00141038-01,18,4.3477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(C(=O)c2ccc(C)cc2)S(=O)(=O)c2cccs2)cc1,MLS000705388-01,18,4.1008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(C(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,NCGC00099347-01,18,4.6927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(C(=O)COc2c(C)cccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1,NCGC00099375-01,18,4.7663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(C(=O)c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1,NCGC00099405-01,18,4.9925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,NCGC00099409-01,18,4.7577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc2sc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)nc12,NCGC00136719-01,18,3.4158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2nc3c(C)cccc3s2)c1C,NCGC00112322-01,18,5.8956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2sc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)nc12,NCGC00136713-01,18,3.0257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1,NCGC00128732-01,18,4.0232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CNC(=O)c1ccccc1N,MLS000538317-01,18,2.5072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(SCCOc3ccccc3Cl)n3[nH]c(=O)cc3n2)cc1,NCGC00128705-01,18,3.9177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(OCCSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)c1,NCGC00128733-01,18,5.17,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCCCSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)cc1C,NCGC00128737-01,18,5.5601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCCCSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)ccc1Cl,NCGC00128741-01,18,5.9051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C)C)c(OCCSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n23)c1,NCGC00129045-01,18,4.8266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCc1ccccc1OCCSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n12,NCGC00129047-01,18,4.1233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CS(=O)(=O)C2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccccc1,NCGC00127148-01,18,2.8478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)C2(c3ccccc31)N(c1ccc(F)c(Cl)c1)C(=O)CS2(=O)=O,NCGC00127114-01,18,2.0699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)C2(c3ccccc31)N(c1ccccc1)C(=O)CS2(=O)=O,NCGC00127136-01,18,1.2774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2C(=O)CS(=O)(=O)C23C(=O)N(C)c2ccccc23)c1,NCGC00127142-01,18,1.5858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2ccc(F)cc2)c2ccc(C)cc23)c1,NCGC00127240-01,18,3.9122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(N2C(=O)CS(=O)(=O)C23C(=O)N(Cc2ccc(F)cc2)c2ccc(C)cc23)c1,NCGC00127244-01,18,3.8577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CNC(=O)c1cc2cccc3c2n1CC(C)S3,NCGC00125449-01,18,4.3739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(Cl)cc1)c1cc2cccc3c2n1CCS3,NCGC00125407-01,18,4.3304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cn2c(C(=O)NCc3ccccc3Cl)cc3cccc(c32)S1,NCGC00125415-01,18,4.7189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cn2c(C(=O)NCc3cccc(Br)c3)cc3cccc(c32)S1,NCGC00125447-01,18,4.828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2cc3cccc4c3n2CC(C)S4)c(OC)c1,NCGC00125469-01,18,4.0827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)cc1,NCGC00125235-01,18,5.9923,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(NCc2cccs2)c2sccc23)c1,NCGC00122970-01,18,4.4622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNc1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccsc12,NCGC00122778-01,18,4.0006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2cccs2)c2sccc23)cc1C,NCGC00122804-01,18,4.4622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(NCc2ccc4c(c2)OCO4)c2sccc23)c1,NCGC00122966-01,18,4.1294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc2ccccc2c1,NCGC00118589-01,18,4.549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2ccccc2Cl)cc1,NCGC00116257-01,18,4.349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccc3ccccc3c2)cc1,NCGC00118507-01,18,4.8488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc2ccccc2c1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1,NCGC00118525-01,18,4.6795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccc3ccccc3c2)cc1,NCGC00118561-01,18,4.6064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1ccccc1[N+](=O)[O-],NCGC00118565-01,18,3.7555,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NC(c3cccc(C(F)(F)F)c3)=Nc3cc(F)ccc3N2)cc1,NCGC00116614-01,18,5.8037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(C2=NC(c3cccc(C(F)(F)F)c3)=Nc3ccccc3N2)cc1,NCGC00116616-01,18,5.7951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(SCc3nc(-c4ccc(C)cc4)no3)nnc2-c2ccccc2)cc1,NCGC00115599-01,18,5.5936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)n1,NCGC00115302-01,18,4.4475,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1,MLS000086329-01,18,4.5955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1ncc(Cl)c(C(=O)Nc2cc(C)ccc2C)n1,NCGC00115136-01,18,4.1111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)n1,NCGC00115431-01,18,4.305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(C)c3cnn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)c(=O)c3c2C)cc1,NCGC00114299-01,18,3.6595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cnc2s1,MLS000047123-01,18,2.2543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(C)c3cnn(CC(=O)N4CCN(c5cc(C)ccc5C)CC4)c(=O)c3c2C)cc1,NCGC00114297-01,18,4.1372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCCOC(C)C)s1,NCGC00113582-01,18,3.695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C(=O)NCc2ccccc2C)cc2oc3ccccc3c21,NCGC00113251-01,18,4.6458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1CC,MLS000520519-01,18,4.7361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1C,MLS000520520-01,18,4.2532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2oc3ccccc3c2n1Cc1cccc(C)c1,NCGC00113160-01,18,4.5308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C(=O)NCc2ccccc2Br)cc2oc3ccccc3c21,NCGC00113247-01,18,5.0999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccccc2)cc1,NCGC00112961-01,18,4.6156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3cc4c(cc23)OCCO4)cc1,MLS000418841-01,18,4.3782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)c2cnc3cc4c(cc3c2S(=O)(=O)c2ccccc2)OCCO4)cc1,MLS000722102-01,18,4.3782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(c3c(S(=O)(=O)c4ccccc4)cnc4ccc(OC)cc34)CC2)cc1,MLS000722111-01,18,4.4114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(CC)cc23)cc1,NCGC00112965-01,18,5.4234,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(S(=O)(=O)c3ccc(F)cc3)c2c1,NCGC00112969-01,18,5.363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sc4ccccc4c32)c1,NCGC00111738-01,18,4.6678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2Cl)c(=O)c2sc3ccccc3c21,NCGC00111588-01,18,4.6678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1-n1c(=O)c2sc3ccccc3c2n(CC(=O)NC2CCCCC2)c1=O,NCGC00111622-01,18,4.7778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(=O)c3sc4ccccc4c3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1,NCGC00111682-01,18,4.3228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2cccs2)cc1,NCGC00108348-01,18,4.9614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)ccc1Br,NCGC00105627-01,18,4.8738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1cccc(C)c1,NCGC00107787-01,18,5.4129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1ccccc1,15990468,18,5.1045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(CCC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1,3236862,18,4.2315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)c1,NCGC00107845-01,18,4.8871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1,NCGC00106643-01,18,4.5931,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)CC2)c1,MLS000090714-01,18,3.7494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c1C,MLS000586003-01,18,4.6475,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c1C,NCGC00106641-01,18,4.6475,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(Br)cc1F)c1ccc2[nH]c(-c3ccccc3)nc2c1,NCGC00106647-01,18,4.9323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1,NCGC00122081-01,18,4.4204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(=O)c3cc(-c4nc(-c5cccc(Cl)c5)cs4)c(=O)[nH]c3C2)cc1,NCGC00105322-01,18,5.7401,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(=O)c3cc(-c4nc(-c5ccc(C)cc5)cs4)c(=O)[nH]c3C2)cc1,NCGC00105294-01,18,5.3951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(=O)c3cc(-c4nc(-c5ccc(Cl)cc5)cs4)c(=O)[nH]c3C2)cc1,NCGC00105296-01,18,5.7401,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(-c2cc3c([nH]c2=O)CC(c2ccccc2)CC3=O)nc1-c1ccc(Cl)cc1,NCGC00105416-01,18,6.0399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(=O)c3cc(-c4nc(-c5cccc([N+](=O)[O-])c5)cs4)c(=O)n(-c4cccc(C)c4)c3C2)cc1,NCGC00105450-01,18,6.7659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(=O)c3cc(-c4nc(-c5cccc([N+](=O)[O-])c5)cs4)c(=O)n(-c4ccccc4N)c3C2)cc1,NCGC00105475-01,18,6.0397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1,NCGC00104072-01,18,4.7917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(OC)c1,MLS000589403-01,18,5.279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccc(Cl)cc3)n2)cc1,NCGC00104074-01,18,5.4365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)cc1,NCGC00104076-01,18,4.9222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)c1,NCGC00104100-01,18,4.9222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1ccc(OCc2ccc(C(=O)Nc3ccccc3C(=O)OC)o2)cc1,NCGC00101032-01,18,4.85,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1,MLS000544547-01,18,4.7932,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1,NCGC00100656-01,18,5.3994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12,2953146,18,4.0308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Nc2nc(-c3ccoc3)nc3ccccc23)cc1,NCGC00010053-01,18,4.6334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(Nc2nc(SCc3ccc(Cl)cc3)nc3ccccc23)cc1,NCGC00138762-01,18,6.4582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccc(F)cc2)c2ccccc2S1(=O)=O,NCGC00099855-01,18,3.4413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21,MLS000575778-01,18,4.2927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc(O)cc3)cs2)cc1,NCGC00099432-01,18,5.7033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(/C(C#N)=C\c3cccc([N+](=O)[O-])c3)n2)cc1,MLS000559646-01,18,4.7911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc(-c2ccco2)cs1,MLS000589539-01,18,6.1343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccco2)cs1,MLS000589540-01,18,5.1207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1,MLS000723051-01,18,4.7997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3Cl)n2)cc1,NCGC00098374-01,18,5.8361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1,NCGC00098245-01,18,5.8095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccc(O)c(O)c2)oc2ccccc12,NCGC00096030-01,18,2.8712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21,NCGC00092293-01,18,3.221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21,Ro318220,1,3.717,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CN(C)CCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21,Bisindolylmalemide_i,1,3.6519,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21,NCGC00092293-01,2,3.717,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21,Bisindolylmaleimide_IX,6,3.717,"McGovern SL and Shoichet BK, J Med Chem 46, 1478-1483 (2003)"
+CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21,Bisindolylmaleimide_I,6,3.6415,"McGovern SL and Shoichet BK, J Med Chem 46, 1478-1483 (2003)"
+O=C(c1cccc(F)c1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,NCGC00012994-01,18,6.0155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)N2CCC3(CCCN(c4cccc(-c5ccccc5)c4)C3)CC2)cc1,NCGC00011408-01,18,5.885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)N2CCC3(CC2)CCN(c2cccc(-c4ccccc4)c2)CC3)cc1,NCGC00011415-01,18,5.885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2,NCGC00011544-01,18,6.0155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[S+]([O-])(c1ccccc1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,NCGC00012054-01,18,5.64,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1csc(CNc2nc(-c3ccoc3)nc3ccccc23)c1,NCGC00010847-01,18,4.5634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[S+](=O)([O-])Nc1cccc(-c2nc(NCc3cccs3)c3ccccc3n2)c1,NCGC00010806-01,18,4.557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1,NCGC00011621-01,18,5.2788,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CNc2nc(-c3ccoc3)nc3ccccc23)c1,NCGC00012102-01,18,4.8103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1,MLS000724949-01,18,3.5615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1,MLS000724919-01,18,4.3037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1,MLS000724959-01,18,3.8057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2sc(NNC(=O)c3nc4ccccc4s3)nc12,MLS000724623-01,18,3.6715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12,MLS000045481-01,18,4.2412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(S)=NNC(=O)COc2ccc(Cl)cc2Cl)c1,MLS000722986-01,18,4.1097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccc(C)s1)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1,MLS000538231-01,18,5.1898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3cccs3)n2)c(C)c1,MLS000722300-01,18,5.4488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2cccs2)c(C)c1,MLS000394891-01,18,3.8685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(=O)c2ccccc2o1,MLS000720377-01,18,5.322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1oc2ccccc2c1NC(=O)c1nc2ccccc2s1,MLS000043695-01,18,3.3937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc2ccccn12)Nc1cccc(-c2nc3ccccc3s2)c1,MLS000577119-01,18,4.7368,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cc(=O)c2ccccc2o1,MLS000697168-01,18,5.0276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,MLS000707790-01,18,3.0076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1,MLS000071997-01,18,3.5463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC2=NC(=O)/C(=C\c3ccco3)S2)cc1,MLS000705993-01,18,3.6704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC2=NC(=O)/C(=C/C=C/c3ccco3)S2)c1,MLS000331390-01,18,4.2266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC2=NC(=O)/C(=C/C=C/c3ccco3)S2)cc1,MLS000580332-01,18,4.2266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC2=NC(=O)/C(=C/c3cccs3)S2)c1,MLS000590647-01,18,4.1389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)cc1C,MLS000590649-01,18,4.4473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC2=NC(=O)S/C2=C\c2ccco2)c1,MLS000724802-01,18,4.3063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(=O)Nc1ccc(-c2nc(O)c3ccccc3n2)cc1,MLS000705568-01,18,3.987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(=O)Nc1ccc(Oc2ccc(NC(=O)CC(C)C)cc2)cc1,MLS000547607-01,18,5.4481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(=O)Nc1ccc(Nc2ccccc2)cc1,MLS000548979-01,18,4.4148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C1=NN(c2ccccc2)C(c2ccc3c(c2)OCO3)N1c1ccccc1,MLS000702615-01,18,4.3432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1c2ccccc2N(C)C1c1ccc2c(c1)OCO2,MLS000060968-01,18,3.0001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(c2ccc3c(c2)OCO3)N1c1ccc(Oc2ccccc2)cc1,MLS000520646-01,18,4.9862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2C(C(C)=O)=NN(c3ccccc3)C2c2cccs2)cc1,MLS000533690-01,18,4.6846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C1=NN(c2ccccc2)C(c2cccs2)N1c1ccc(N(C)C)cc1,MLS000558556-01,18,4.742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N2C(C(C)=O)=NN(c3ccccc3)C2c2ccc(N3CCOCC3)cc2)c1,MLS000702287-01,18,4.4597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NN=C(C)c2ccc(N3CCCCC3)cc2)cc1,MLS000698175-01,18,3.8395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1,MLS000390205-01,18,3.3306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1,MLS000697236-01,18,3.9649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc(C3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)c(Cl)nc2c1,MLS000697106-01,18,5.0298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(C3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)c(Cl)nc2c1,MLS000591293-01,18,5.3296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(C3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)c(Cl)nc12,MLS000697096-01,18,5.3296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2cc(C3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)c(Cl)nc2c1,MLS000697116-01,18,5.4199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(Cl)c(C3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)cc2c1,MLS000697126-01,18,5.4199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3ccccc3)=NN2S(=O)(=O)c2ccc(C)cc2)c(OC)c1,MLS000704497-01,18,4.5522,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)sc2c1,MLS000696560-01,18,4.0906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)no1,MLS000683784-01,18,3.2883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C/C(=O)Nc2cc(C)on2)cc1,MLS000535422-01,18,2.9433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)/C=C/c2ccc(Br)cc2)no1,MLS000680755-01,18,3.3974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC2=CC(c3cccc(OC)c3)N(c3ccc(OC)cc3)C2=O)cc1,MLS000681207-01,18,4.7963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c1,MLS000585084-01,18,4.7791,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC2=CC(c3ccc(F)cc3)N(c3ccc(OC)cc3)C2=O)cc1,MLS000677212-01,18,4.9268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC2=CC(c3cccc(Br)c3)N(c3cccc(C)c3)C2=O)c1,NCGC00101008-01,18,6.1498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC2=CC(c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1,NCGC00101030-01,18,5.5264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC2=CC(c3ccc(C(C)C)cc3)N(c3cccc(OC)c3)C2=O)c1,NCGC00102933-01,18,5.9111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNc1ccc2c(c1)OCO2)NN=Cc1ccccc1Cl,MLS000680501-01,18,2.6309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCc1cccc(C=NNC(=O)CNc2ccccc2)c1O,MLS000541085-01,18,2.6829,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(=O)NC1CCCCC1)NN=Cc1ccccc1Cl,MLS000552971-01,18,2.6291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(-c2ccc(C=NN3C(=O)C4C5C=CC(C6CC56)C4C3=O)o2)cc1,MLS000676864-01,18,3.1202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccco1)Nc1ccc(N2CCCC2)cc1,MLS000665139-01,18,3.5317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3,MLS000594126-01,18,5.578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3,NCGC00063615-01,2,3.889,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1c(C(=O)NCC2CCCO2)sc2nc3c(c(-c4ccco4)c12)CC/C3=C\c1ccco1,6311834,18,5.1271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)[nH]n1,MLS000591342-01,18,4.4751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1c[nH]c2ccccc12)c1ccn(Cc2ccc(Cl)cc2Cl)n1,MLS000570601-01,18,4.4834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2ccc3ccccc3c2)[nH]n1,MLS000577740-01,18,4.4751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccs1)c1cc(-c2ccc3ccccc3c2)[nH]n1,MLS000577764-01,18,4.0553,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccs1)c1cc(-c2cccc3ccccc23)[nH]n1,MLS000591338-01,18,4.0553,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1cc(-c2cccc3ccccc23)[nH]n1,MLS000591339-01,18,4.7963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)c1,MLS000590796-01,18,4.0799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N)nc(SCC(=O)NCCc2ccccc2)c(C#N)c1-c1cccs1,MLS000036788-01,18,3.5867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CSc2nc(-c3cccnc3)ccc2C#N)no1,MLS000036936-01,18,3.0425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2ccc(C#N)c(OC(=O)c3c(Cl)cccc3Cl)n2)c1,MLS000539927-01,18,5.1549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2ccccc2O)cc1CSc1ccccn1,MLS000589825-01,18,3.852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(F)cc1)c1c(O)nc2ccccc2c1O,MLS000589621-01,18,2.549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc2ccccc12)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1,MLS000588714-01,18,5.2191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)C2CCCCC2)c(C)c1,MLS000519003-01,18,4.8877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)c1,MLS000571370-01,18,4.3743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc2ccccc12)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1,MLS000571988-01,18,5.2191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2cccs2)c1,MLS000574752-01,18,4.5605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(NC(S)=NN=Cc2cn(CC)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1,MLS000586431-01,18,3.9763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Cl)c(NC(S)=NN=Cc2c(F)cccc2F)c1)N1CCOCC1,MLS000374759-01,18,3.3709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2ccccc2c1C=NN=C(S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,MLS000408801-01,18,3.4377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(NC(S)=NN=Cc2cn(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1,MLS000586429-01,18,3.4934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C,MLS000585218-01,18,3.3882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1,MLS000662848-01,18,3.4434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccn1,MLS000702946-01,18,3.7211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1,MLS000584421-01,18,4.1239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Nc1cccc2ccccc12)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1,MLS000570479-01,18,3.6987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)CNc1cccc2ccccc12)c1ccc(Br)s1,MLS000584420-01,18,4.6161,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCc1cccc(C=NNC(=O)CNc2cccc3ccccc23)c1O,MLS000585429-01,18,3.8361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(Cl)cc2)cc1,MLS000583962-01,18,5.1106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1,MLS000072310-01,18,4.8011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nsc(C(=O)N(c3ccc(F)cc3)C(C(=O)NC3CCCC3)c3ccc(OC)cc3)c2N)cc1,MLS000568670-01,18,5.9955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(C)cc2)cc1,MLS000583959-01,18,4.7656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CN(C(=O)CCl)C(C(=O)NC1CCCCC1)c1ccncc1,MLS000583989-01,18,3.8478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1Nc1ccccc1,MLS000583076-01,18,1.9287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])c(C)c1,MLS000538507-01,18,2.7743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(Nc2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])cc1,MLS000538523-01,18,2.7199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(Nc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])c1,MLS000539031-01,18,3.4277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1Nc1ccc(Cl)cc1,MLS000581995-01,18,2.5821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NCc1ccccc1Cl,MLS000582643-01,18,2.4506,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)C2(C)Cc3ccccc3C(=O)O2)sc2c1CCCC2,MLS000582837-01,18,3.5238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1,NCGC00085607-01,2,2.8055,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1c(NS(=O)(=O)c2ccc3ccccc3c2)sc2c1CCCC2,MLS000531801-01,18,4.3675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,MLS000581954-01,18,5.6866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1,MLS000546593-01,18,5.5365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNS(=O)(=O)c1cccc(Cl)c1)Nc1ccc(-c2nc3ccccc3s2)cc1,MLS000581532-01,18,4.5337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1,MLS000540825-01,18,5.1778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)cc1C,MLS000580901-01,18,3.5325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(NCc3ccccc3)n2)cc1,MLS000589119-01,18,3.4996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)cc1C,MLS000589124-01,18,2.164,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(NCc2ccccc2)nc(NCc2ccccc2)c1[N+](=O)[O-],MLS000590771-01,18,3.1912,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1nc(Nc2ccc(Br)cc2)nc(N)c1[N+](=O)[O-],MLS000723358-01,18,2.5148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2cccc([N+](=O)[O-])c2)n2nc(C(=O)OC(C)C)nc2N1,MLS000580752-01,18,4.2959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc(Br)c[nH]c-2n1)c1cccc([N+](=O)[O-])c1,MLS000580250-01,18,3.5552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1CSc1nc2cc(Br)c[nH]c-2n1,MLS000089867-01,18,3.836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccccc1CSc1nc2cc(Br)c[nH]c-2n1,MLS000533677-01,18,4.1034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(CSc2nc3cc(Br)c[nH]c-3n2)cc1,MLS000533691-01,18,4.1034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)nc-2cc1Br,MLS000580251-01,18,3.8636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)nc-2cc1Br,MLS000580252-01,18,3.8636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccccc3s2)=C(C#N)C1c1ccc(Cl)cc1,MLS000580101-01,18,5.6066,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)c1,MLS000579999-01,18,4.9625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3nn[nH]n3)ccc12,NCGC00066372-01,2,2.7843,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1coc2cc3oc(=O)c(Cc4ccccc4)c(C)c3cc12,MLS000573500-01,18,4.7468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)c3ccccc3)ccc12,MLS000575699-01,18,4.9114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)c1,MLS000579954-01,18,5.2709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C2\SC(=O)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)c1,MLS000579799-01,18,3.2362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1cccnc1,MLS000552881-01,18,2.8966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C2\SC(=O)N(CCC(=O)NNC(=O)c3ccccc3Cl)C2=O)c1,MLS000579781-01,18,3.2362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Oc2coc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3c2=O)cc1,MLS000579608-01,18,5.3518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)c1ccco1,MLS000534615-01,18,5.5507,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1,MLS000572793-01,18,5.4828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1,MLS000577266-01,18,5.1744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1,MLS000585335-01,18,4.785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1coc2cc(OC(=O)/C=C/c3ccccc3)ccc2c1=O,MLS000589776-01,18,5.0874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccs2)c2ccc(C)cc2)cc1,MLS000579041-01,18,3.8008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1,MLS000548830-01,18,4.6498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1,MLS000578128-01,18,3.8348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC2CSC2)cc1,MLS000579027-01,18,3.5264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)c1C,MLS000578975-01,18,5.8044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cccs1,MLS000578126-01,18,4.2035,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)cc2O)cc1,MLS000577117-01,18,3.1531,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2s1,MLS000073070-01,18,3.8546,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(O)n(-c3ccc([N+](=O)[O-])cc3)n2)cc1,MLS000548274-01,18,3.1617,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(-c2cc(O)n3nc(-c4ccc(F)cc4)cc3n2)cc1,MLS000548280-01,18,3.8162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(-c2cn(-c3ccccc3)c(S)n2)cc1,MLS000583505-01,18,3.7362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cl)ccc1N=C(S)NCCC(c1ccccc1)c1ccccc1,MLS000575632-01,18,6.3775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1,MLS000572561-01,18,5.8486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1N=C(S)NCCC(c1ccccc1)c1ccccc1,MLS000575407-01,18,6.3775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N=C(S)NCCC(c2ccccc2)c2ccccc2)c(C)c1,MLS000575690-01,18,6.0325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(N=C(S)NCCC(c2ccccc2)c2ccccc2)c(OC)cc1Cl,MLS000579268-01,18,6.0863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1N=C(S)NCCC(c1ccccc1)c1ccccc1,MLS000581257-01,18,6.0777,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)ccc2[N+](=O)[O-])n1,MLS000574196-01,18,4.0614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cnnc1Sc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-],MLS000581336-01,18,3.5386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)ccc2[N+](=O)[O-])n1,MLS000587763-01,18,3.6707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C(O)=C/C=Nc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc2)c1,MLS000574023-01,18,5.0,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C(O)=C/C=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1,MLS000573894-01,18,3.5874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C(O)=C/C=Nc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc2)cc1,MLS000573977-01,18,5.0,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C(O)=C/C=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1,MLS000587883-01,18,3.5874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NN=Cc3ccccc3C#N)nc(-c3ccccc3)c2c1,MLS000571760-01,18,4.9229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1C=NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1,MLS000325382-01,18,5.377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1C=NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1,MLS000325392-01,18,5.2679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NN=Cc3ccc([N+](=O)[O-])o3)nc(-c3ccccc3)c2c1,MLS000533723-01,18,4.5524,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1,NCGC00098319-01,18,6.4197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c1,NCGC00098676-01,18,5.3574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1,MLS000571368-01,18,3.5964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccccc1,MLS000553635-01,18,3.1397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1,MLS000587224-01,18,4.3771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc2ccccc2c1,MLS000587276-01,18,4.9688,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1cccc(Br)c1,MLS000587281-01,18,4.5781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)c1,NCGC00098420-01,18,4.8093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2,MLS000571356-01,18,4.3685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,MLS000545546-01,18,4.5237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c(C)c1,MLS000545740-01,18,5.0015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C,MLS000555834-01,18,4.3267,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(N)=O,MLS000569326-01,18,3.1366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccccc2F)cc(C2CC2)nc1SCC(=O)c1cccs1,MLS000374993-01,18,5.6733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)c1cccs1,MLS000574180-01,18,5.5342,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)s2)c1,MLS000568623-01,18,4.3573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2nnc(SCn3nnc4ccccc4c3=O)s2)c1,MLS000048447-01,18,3.145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2nnc(SCN3C(=O)c4ccccc4C3=O)s2)c1,MLS000389238-01,18,3.6361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cc2c(c(CSc3nnnn3-c3ccc(O)cc3)c1)OCOC2,MLS000393076-01,18,2.4349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cc2c(c(CSc3nnc(Nc4ccccc4)s3)c1)OCOC2,MLS000566174-01,18,4.3487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1,MLS000566685-01,18,3.4745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1,MLS000055916-01,18,2.7109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccs1)Nc1nc2c(ccc3ccccc32)s1,MLS000565892-01,18,4.6922,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccs1)Nn1c(Cc2cccs2)nc2ccccc2c1=O,MLS000071098-01,18,3.4231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)Nc1nc(=O)c2ccccc2s1,MLS000552741-01,18,2.8377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccccn1)Nc1nc2c(ccc3ccccc32)s1,MLS000571889-01,18,4.5753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2c(ccc3nc(NC(=O)Cc4cccc5ccccc45)sc32)s1,MLS000724702-01,18,5.5488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SC(C)C(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O,MLS000565809-01,18,4.8367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)OCC(=O)NC(=O)c2cccn2C)cc1,MLS000564830-01,18,1.4469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N,NCGC00036449-01,2,3.1614,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1cccc1C(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12,NCGC00040210-01,2,2.9668,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1cccc1C(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12,MLS000055998-01,18,2.9668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N,MLS000097436-01,18,3.1614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1,MLS000562786-01,18,5.436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(-c2cn3cc(C)ccc3n2)cc1,MLS000706646-01,18,3.2681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)NN2c3ccccc3CCc3ccccc32)c1,MLS000562316-01,18,4.2769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN1c2ccccc2CCc2ccccc21)c1ccccc1Br,MLS000544373-01,18,5.0308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1,MLS000562227-01,18,3.4823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1,MLS000553837-01,18,3.1793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(NCc3ccco3)nc(NN=Cc3ccccc3F)n2)cc1,MLS000559399-01,18,4.414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNc2nc(NCc3ccco3)nc(Nc3ccc(OC)cc3)n2)cc1,MLS000560331-01,18,4.2835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(NCc3ccco3)nc(NN=Cc3ccccc3)n2)cc1,MLS000562699-01,18,4.2749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)n1,MLS000559610-01,18,4.4706,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)c1Cl,MLS000389590-01,18,5.3206,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1coc2ccc3ccccc3c12)NC1CCCc2ccccc21,MLS000389592-01,18,5.3223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C#N)nc(N3CCN(c4ccccc4)CC3)n2)cc1,MLS000556269-01,18,3.3505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C#N)nc(Oc3ccc(Cl)cc3)n2)cc1,1849672,18,4.4696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc(-c2ccccc2)nc(Oc2ccccc2)n1,935722,18,3.8076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C#N)nc(N3CCN(C)CC3)n2)cc1,697203,18,1.7757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(c3ccc(N)cc3C#N)CC2)cc1,MLS000047602-01,18,2.4757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(c2nc(C#N)cc(-c3ccccc3)n2)CC1,MLS000554310-01,18,1.7671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)o1)c1ccccc1,MLS000555401-01,18,5.9346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1)c1ccccc1,MLS000547789-01,18,5.4831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1-c1nnc(SCc2ccccc2Cl)o1)c1ccccc1,MLS000549782-01,18,5.9346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1)c1ccccc1,MLS000551888-01,18,6.588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1-c1nnc(SCc2ccccc2)o1)c1ccccc1,MLS000555353-01,18,5.2812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1,MLS000566985-01,18,6.5787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NNC(=O)Nc2cccc3ccccc23)cc1,MLS000553968-01,18,3.1632,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1,MLS000546165-01,18,2.7725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccccc1,MLS000577988-01,18,4.9668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc21,MLS000551719-01,18,4.5039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(-c5ccccc5C)c4s3)CC2)cc1,MLS000551701-01,18,4.159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2C)cc1,MLS000551121-01,18,3.1092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N=C2C=C(NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1,MLS000549894-01,18,4.6533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O,MLS000521465-01,18,3.8231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O,MLS000535841-01,18,4.9983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O,MLS000536576-01,18,4.3449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1,MLS000585839-01,18,4.4268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c1,MLS000585840-01,18,4.4268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1,MLS000545725-01,18,3.4387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc2ccccc12)c1ccc(Cn2cc(Cl)cn2)cc1,MLS000544229-01,18,4.9903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc21,NCGC00085187-01,2,4.2067,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc(Cl)cn2)cc1,MLS000591835-01,18,5.1439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1,MLS000591870-01,18,3.7955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=S)NC(=O)c1ccc(Cn2cc(Br)cn2)cc1,MLS000698210-01,18,3.8293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1,MLS000540041-01,18,3.498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1,MLS000539669-01,18,3.498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,MLS000539036-01,18,5.8261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccco1)NCC(=O)OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1,MLS000537319-01,18,2.7416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(CC(=O)NC2CCCCCCCCCCC2)c2ccccc2c1=O,MLS000534837-01,18,4.2655,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(CC(=O)NC2CCCCCC2)c2ccccc2c1=O,NCGC00085564-01,2,2.315,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)cc1,MLS000534270-01,18,4.2567,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1,MLS000536683-01,18,4.9191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1,MLS000565399-01,18,6.0063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1,MLS000580546-01,18,5.5464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,MLS000534055-01,18,2.7486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,NCGC00079262-01,2,3.3048,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC1=C/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,MLS000087677-01,18,3.366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSC1=N/C(=C\c2cc(OC)c3c(c2)OCO3)C(=O)S1,MLS000113133-01,18,3.3134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2ccc3c(c2)OCO3)CCC/C1=C/c1ccc2c(c1)OCO2,MLS000551189-01,18,4.364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(/C=C2\N=C(SC)SC2=O)cc1,MLS000678872-01,18,2.8065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1ccc([N+](=O)[O-])cc1,MLS000533801-01,18,5.5421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(CNc2nc3ccccc3n3nnnc23)cc1,MLS000522426-01,18,2.4237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(CC2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1,NCGC00051347-01,2,3.1316,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Fc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1,MLS000091308-01,18,2.1382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cc(Br)ccc1Nc1nc2ccccc2n2nnnc12,MLS000116704-01,18,3.3177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cccc(Nc2nc3ccccc3n3nnnc23)c1,MLS000522413-01,18,2.5552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1Nc1nc2ccccc2n2nnnc12,NCGC00113722-01,18,2.1217,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1NC(=O)CSc1nc(O)c2c(n1)CCCC2,MLS000521921-01,18,3.7536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nc(O)c3c(n2)CCC3)cc1C,MLS000093089-01,18,3.0185,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CSc2nc(O)c3c(n2)CCC3)cc1,MLS000111837-01,18,3.2716,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(O)n2)c1C,MLS000696593-01,18,3.4258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,MLS000417372-01,18,2.718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccsc1NC(=O)COC(=O)c1ccc2ccccc2c1,MLS000389882-01,18,3.5685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3sccc3C#N)CC2)c1C,MLS000416505-01,18,2.7985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccsc1NC(=O)COC(=O)c1cc2ccccc2cc1O,MLS000417371-01,18,3.2741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1-c1ccc(F)cc1,MLS000417190-01,18,4.9869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)c(C)n1Cc1ccc2c(c1)OCO2,NCGC00039220-01,2,3.9683,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)cc1C,MLS000402504-01,18,4.5306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)cc1C,MLS000102924-01,18,4.2004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1C,MLS000392657-01,18,4.2626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)/C=C/c1cccs1)NC(c1ccccc1)c1ccccc1,MLS000402462-01,18,4.2103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NC(c1ccccc1)c1ccccc1,MLS000375174-01,18,5.7992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)/C=C/c2cccs2)c(C)c1,MLS000389964-01,18,3.56,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1,MLS000390814-01,18,4.057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1cccc(Cl)c1,MLS000393715-01,18,4.0349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1Cl,MLS000394106-01,18,4.175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-],MLS000707831-01,18,4.7126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc2c(C(=O)COC(=O)c3ccc(O)cc3)c[nH]c12,MLS000393645-01,18,3.4756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc2c(C(=O)COC(=O)c3ccc([N+](=O)[O-])s3)c[nH]c12,MLS000334288-01,18,3.7397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc2c(C(=O)CCl)c[nH]c12,MLS000391202-01,18,3.1518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(Br)cc1,MLS000392407-01,18,5.0046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1,NCGC00083069-01,2,2.1839,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1,MLS000115140-01,18,2.1839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1,MLS000391140-01,18,4.8955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1ccccc1Br,MLS000392151-01,18,6.1578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N=C1SC(CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1,MLS000392490-01,18,5.7037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C=NNC(=O)CNc2ccccc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1,MLS000392297-01,18,4.6943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1,MLS000324871-01,18,5.5235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1,MLS000324881-01,18,5.2926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C=NNC(=O)CNc2ccccc2)c2ccccn2c1C(=O)c1ccccc1,MLS000392357-01,18,4.0409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C=NNC(=O)c2ccc(O)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1,MLS000416835-01,18,4.0873,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c1,MLS000390735-01,18,4.3767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2,MLS000374886-01,18,4.9513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1,MLS000390963-01,18,4.1464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2ccccc2c1,MLS000579415-01,18,6.115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N(C)Cc1ccc(Br)cc1,MLS000336345-01,18,3.8249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)OC(=O)C1c2ccccc2Oc2ccccc21,MLS000333897-01,18,4.4114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,MLS000335701-01,18,4.7916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1,MLS000335700-01,18,5.445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccccc1-c1ccc(C=NNc2nc3ccccc3[nH]2)o1,MLS000332159-01,18,4.408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1,MLS000331476-01,18,2.9044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Oc2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccccc2)cc1,MLS000326767-01,18,4.7773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Oc2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccc(C)cc2)cc1,MLS000326796-01,18,5.3855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1Oc1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1,MLS000326816-01,18,5.3855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(-c2ccccc2)sc1-c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1,MLS000541517-01,18,6.0753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)o1,MLS000325353-01,18,5.7614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)o1,MLS000702375-01,18,4.9437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1Cl,MLS000325228-01,18,5.073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)sc2c1CCCCC2,MLS000324851-01,18,4.8117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C#N)c1C,MLS000027282-01,18,3.4583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)sc2c1CCC(C)C2,MLS000324822-01,18,4.6676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1,MLS000123955-01,18,2.1331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12,NCGC00085776-01,2,1.7845,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1,MLS000105905-01,18,3.5231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,MLS000123025-01,18,2.2519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2ncnc(OCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2c1C,MLS000053180-01,18,2.8734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,MLS000058104-01,18,2.18,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1,MLS000531310-01,18,3.6786,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1ccc(F)cc1,MLS000122762-01,18,2.9087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1ccccc1,MLS000122752-01,18,2.7696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1oc2ccc(S(=O)(=O)n3nc(-c4ccc(OC)cc4)cc3N)cc2c1C,MLS000118643-01,18,3.6092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1oc2ccc(S(=O)(=O)n3nc(-c4ccccc4)cc3N)cc2c1C,MLS000523020-01,18,3.6006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1oc2ccc(S(=O)(=O)n3nc(-c4ccc(C)cc4)cc3N)cc2c1C,MLS000523035-01,18,3.909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1oc2ccc(S(=O)(=O)n3nc(-c4cc(OC)cc(OC)c4)cc3N)cc2c1C,NCGC00111360-01,18,3.6178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,MLS000100543-01,18,2.8467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,MLS000060935-01,18,2.4566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1Nc2ccccc2NC1=O)Nc1ccccc1,MLS000062987-01,18,2.448,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)CC1Nc2cc(C)c(C)cc2NC1=O,MLS000113697-01,18,3.4635,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O,MLS000097522-01,18,2.6528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,MLS000095374-01,18,1.6359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c2ccccc2c2c(C(=O)N3CCN(c4ccccc4)CC3)cn(C3CCCC3)c(=O)c21,MLS000091655-01,18,4.5707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)c1,NCGC00107770-01,18,5.2593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)cc1,NCGC00107798-01,18,6.3741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c2ccccc2c2c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cn(C3CCCCC3)c(=O)c21,NCGC00107804-01,18,5.9796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1N=Cc1ccco1,MLS000081615-01,18,3.4747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1,NCGC00066219-01,2,3.6494,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1N=Cc1cccc(O)c1,MLS000039510-01,18,3.6488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1N=Cc1ccc(O)c(O)c1,MLS000039529-01,18,3.9463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C=Nn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)c1OC,MLS000558085-01,18,3.9604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(S(=O)(=O)c2c(N)n(-c3ccccc3)c3nc4ccccc4nc23)c1,MLS000588588-01,18,4.2971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CSc2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cn2)no1,MLS000076242-01,18,4.269,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2nc(-c3ccc(SCc4ccc(C#N)cc4)nc3)[nH]c2cc1C,MLS000557787-01,18,5.4057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2nc(-c3ccc(SCc4ccccc4C#N)nc3)[nH]c2cc1C,MLS000557793-01,18,5.4057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1,MLS000073752-01,18,3.8801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(NC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)cc1,MLS000093878-01,18,3.1423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)no1,MLS000072349-01,18,4.2511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)no1,MLS000052722-01,18,4.5628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1,MLS000559812-01,18,5.2616,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1,MLS000072348-01,18,2.9981,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,MLS000072723-01,18,2.8997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1,MLS000122809-01,18,2.7606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)CSc2nc(O)cc(NS(=O)(=O)c3ccccc3)n2)cc1,MLS000071879-01,18,2.7224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1,MLS000071753-01,18,2.4592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1nc2ccccc2[nH]1)c1cc2ccccc2oc1=O,2382304,18,2.5993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccnc1NC(=O)Nc1cccc(C(F)(F)F)c1,MLS000063888-01,18,4.0528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2n(c1=O)CCS2,MLS000100960-01,18,2.6201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,MLS000063406-01,18,2.3831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(C2=CSC3=NCCN23)cc1)N1CCOCC1,MLS000047719-01,18,2.0022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)oc2ccccc12,MLS000055841-01,18,3.5521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2oc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)c(C)c2c1,MLS000097792-01,18,3.5607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1,MLS000054117-01,18,4.9412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1,NCGC00037509-01,2,4.9412,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1,NCGC00037882-01,2,5.3313,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1sc(NCc2ccco2)c(-c2nc3ccccc3s2)c1N,MLS000055326-01,18,4.9888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1sc(C(=O)c2ccccc2F)c(N)c1-c1nc2ccccc2s1,MLS000564736-01,18,5.0188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1-c1nnc2sc(-c3cccs3)nn12,MLS000050604-01,18,4.2347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2nnc3sc(-c4ccco4)nn23)c(Cl)c1,MLS000037140-01,18,4.4196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1-c1nnc2sc(-c3ccc4c(c3)OCO4)nn12,MLS000050196-01,18,3.9019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1-c1nnc2sc(C3COc4ccccc4O3)nn12,MLS000050258-01,18,4.0187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Cc2nnc3sc(-c4cccs4)nn23)cc1,MLS000064792-01,18,3.5051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1csc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)c1,MLS000066380-01,18,3.4268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21,MLS000038718-01,18,3.4444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2C2c3ccccc3C=CN21,MLS000040596-01,18,2.4968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccccc2)cc1,MLS000557352-01,18,3.8493,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12,MLS000557354-01,18,3.8128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12,MLS000557355-01,18,3.9453,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C2c3ccccc3C=NN21,MLS000592007-01,18,4.1015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1,MLS000036782-01,18,3.1649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)NNc2ncnc3c2cnn3-c2ccccc2)cc1,MLS000594822-01,18,2.5099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2ccco2)CCCCC1,MLS000033054-01,18,3.5595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)NC1(C(=O)NCc2ccco2)CCCCC1,MLS000032965-01,18,3.4204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)Nc1ccc2nsnc2c1,MLS000113341-01,18,2.606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(N2CCCC2)nc(N2CCCC2)n1,714273,18,0.9437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1nc(N2CCCCC2)nc(N2CCCCC2)n1,NCGC00084994-01,2,1.9182,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(C)c1nc(C#N)nc(N2CCOCC2)n1,1088873,18,-0.3541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1,755373,18,-0.5835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(N2CCCCC2)nc(N2CCOCC2)n1,729563,18,0.5702,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1nc(C#N)nc(N2CCCCC2)n1,729558,18,1.1323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(=O)c(NC(=O)c2cccc(Cl)c2)cc1C(=O)c1ccccc1,1483052,18,4.0849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)c1ccccc1,2737848,18,3.4315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(=O)c(NC(=O)c2ccc(Cl)cc2)cc1C(=O)c1ccccc1,1473623,18,4.0849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1,2190894,18,3.1558,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O,3243168,18,0.8063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCN1C(=O)c2ccccc2C1=O)/C(=C\c1ccco1)NC(=O)c1ccccc1,2175334,18,2.8474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCC2CCCO2)cc1,MLS000560871-01,18,2.6541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)NC(=S)/C=C1/N(C)c2ccccc2C1(C)C,2428528,18,4.0639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C(=S)NC(=O)c2cccc(Br)c2)C(C)(C)c2ccccc21,2429542,18,4.8178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C(=S)NC(=O)c2ccccc2Cl)C(C)(C)c2ccccc21,2422483,18,4.7087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)[nH]c3ccccc3c21,3241982,18,2.8079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc3cc(C(=O)NCc4ccccn4)oc3nc2c1,3243599,18,3.3146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc3cc(C(=O)NCCCN4CCOCC4)oc3nc2c1,3242433,18,2.4417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1,MLS000091928-01,18,4.1574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2CC(c3cccs3)=NN2C(=O)CSc2nc3n(-c4ccc(F)cc4)[nH]cc-3c(=O)n2)c1OC,4057832,18,4.7482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1F)OC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1,5036272,18,5.1509,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)CC/C(=C/c1ccco1)C2=O,5781332,18,3.5007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C/c2ccco2)CCc2ccccc21,6529487,18,3.4921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)C(=O)/C(=C/C=C/c1ccccc1)CC2,MLS000548080-01,18,4.4639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)CC/C(=C\C=C\c1ccccc1OC)C2=O,MLS000548081-01,18,4.4725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)CC/C(=C\C=C\c1ccccc1)C2=O,MLS000548131-01,18,4.4639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc2c(c1)C/C(=C/c1ccco1)C2=O,MLS000702419-01,18,2.6842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(Nc2nc(Cc3c(Cl)cccc3Cl)nc(NO)n2)cc1,R132914,11,4.1856,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)ccc4[nH]ccc34)n2)cc1,R120393,11,3.7946,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+N#Cc1ccc(Nc2nc(N)cc(Cc3c(Cl)cccc3Cl)n2)cc1,R126874,11,4.5717,"Frenkel YV, Clark AD Jr, Das K, Wang UH, Lewi P, Jannssen PAJ and Arnold E, J Med Chem, 48, 1974-1983 (2005)"
+OB(O)c1cccc(N=Nc2ccc(O)c3ccccc23)c1,VB2,3,2.6406,Shoichet Lab In House Data - Kristin Ziebart
+OB(O)c1cccc(N=Nc2c(O)ccc3ccccc23)c1,VB1,3,2.6406,Shoichet Lab In House Data - Kristin Ziebart
+OB(O)c1cccc(N=Nc2ccccc2O)c1,VB3,3,1.4874,Shoichet Lab In House Data - Kristin Ziebart
+OB(O)c1cccc(N=Nc2c(O)cc(O)c3ccccc23)c1,VB9,3,2.3462,Shoichet Lab In House Data - Kristin Ziebart
+Nc1cc(B(O)O)ccc1N=Nc1cccc(B(O)O)c1,VB22,3,-0.9562,Shoichet Lab In House Data - Kristin Ziebart
+O=S(=O)(Nc1ccc(N=Nc2ccc(O)c3ccccc23)cc1)c1ccccc1,MLS000707545-01,18,5.7616,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,NCGC00085708-01,2,4.0331,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)CC1,NCGC00085519-01,2,3.4767,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3Cl)cc2)CC1,NCGC00085525-01,2,4.1215,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,NCGC00085495-01,2,3.137,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc(=O)c2c1OC,NCGC00084927-01,2,3.3288,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)Nc2cccc(C)n2)cc1,NCGC00085513-01,2,3.0426,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)C2(C(=O)Nc3nccs3)CC2)cc1,NCGC00085423-01,2,2.3965,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccnc3)CC2)cc1,NCGC00085425-01,2,2.335,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(F)c3)CC2)cc1,NCGC00085427-01,2,3.0791,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)c2nc(Nc3nccs3)sc2Cl)cc1,MLS000105106-01,18,4.1378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)no1,NCGC00085337-01,2,2.2538,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2c(C)nc(O)nc2O)cc1,NCGC00085112-01,2,1.985,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)nc(O)nc1O,NCGC00085634-01,2,1.6879,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2cccc(Cl)c2)cc1,MLS000572942-01,18,4.4286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1,MLS000577253-01,18,4.7736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Cc1nc(-c2ccc(Br)o2)no1,NCGC00084966-01,2,3.6915,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(-c2nc(-c3ccc(Br)o3)no2)cc(OC)c1OC,NCGC00084898-01,2,3.7849,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(Cl)cc1-c1nc(-c2ccc(Br)o2)no1,NCGC00084900-01,2,4.4211,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1,NCGC00084902-01,2,3.5457,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Fc1ccc(OCc2nc(-c3ccc(Br)o3)no2)c(F)c1,NCGC00084956-01,2,3.9493,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Brc1ccc(-c2noc(CCc3ccccc3)n2)o1,NCGC00084964-01,2,3.8773,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(NC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)CC1,NCGC00084818-01,2,2.1194,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(CCC#N)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O,NCGC00084820-01,2,1.7544,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CCc2ccccc2C1,NCGC00084822-01,2,2.9672,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(NC(=O)CN2C(=O)CCSc3ccccc32)CC1,NCGC00085392-01,2,2.2525,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)CCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O,NCGC00085673-01,2,1.8403,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCCN(C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)C1,NCGC00085677-01,2,2.184,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(F)cc1,NCGC00084592-01,2,2.2866,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1cccc1Cc1nnc(SCC(N)=O)n1-c1ccc(F)cc1,NCGC00084616-01,2,1.9131,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)C1,NCGC00083606-01,2,3.1317,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(NC(=O)CSC(N)=O)cc1Cl,NCGC00078622-01,2,2.3988,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(=O)SCC(=O)Nc1cccc(Cl)c1,NCGC00078398-01,2,2.0904,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(NC(=O)CSc2ncccc2C(=O)Oc2ccccc2Cl)cc1Cl,NCGC00140129-01,18,5.6468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)N1CCCCC1,NCGC00068334-01,2,3.4622,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCN(C(=O)c2ccc3c(=O)n(Cc4ccc5c(c4)OCO5)c(=S)[nH]c3c2)C1,MLS000520866-01,18,3.7082,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CC(C)CN(C(=O)c2ccc3c(=O)n(Cc4ccc5c(c4)OCO5)c(=S)[nH]c3c2)C1,MLS000520868-01,18,3.9542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc3c(cc2c(=O)n1CCC1=CCCCC1)OCO3)NCc1ccco1,NCGC00067774-01,2,4.0172,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,NCGC00043897-01,2,4.0036,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nnnn1-c1ccccc1,NCGC00041785-01,2,4.1997,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nc(C)cc(O)n1,MLS000374604-01,18,4.78,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2,NCGC00037803-01,2,3.6967,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1,NCGC00030583-01,2,4.0318,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C(=O)c2c[nH]c(C(=O)NCc3cccs3)c2)cc1,MLS000546527-01,18,3.2458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(C)c1,NCGC00141982-01,18,5.1775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1C,NCGC00101980-01,18,5.1775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2nc3c(C)cccc3s2)c1C,NCGC00140766-01,18,5.5871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2nccs2)c1C,NCGC00085658-01,2,3.8745,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCN1C(=O)c2ccccc2C1=O,MLS000582963-01,18,4.2166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(Nc2nc(SCc3ccc(Cl)cc3)nc3ccccc23)cc(OC)c1,NCGC00138796-01,18,6.3363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(Nc2nc(SCc3ccccc3Cl)nc3ccccc23)cc1,NCGC00138760-01,18,6.4582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(Nc2nc(SCC(=O)c3ccc(Br)cc3)nc3ccccc23)cc(OC)c1,NCGC00138770-01,18,6.1281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cccc2C1c1ccc(F)c(F)c1,NCGC00137378-01,18,3.7768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cccc2C1c1ccccc1,NCGC00137348-01,18,3.4986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3C2c2ccccc2F)cc1,NCGC00137350-01,18,3.3293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Br)cc1)N1CCn2cccc2C1c1ccc(Br)cc1,NCGC00137372-01,18,4.807,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3C2c2ccc(Br)cc2)cc1,NCGC00137374-01,18,3.9527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(=O)c2ccccc2Sc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21,NCGC00135062-01,18,5.4888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)c2ccccc2Sc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21,NCGC00138091-01,18,5.0987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1,NCGC00134884-01,18,4.8761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(OCc2cccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c2)cc1,MLS000698592-01,18,5.9025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)c1,NCGC00134910-01,18,4.6541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)c1cnc(N2CCCCC2)c2ccccc12,NCGC00134916-01,18,5.0398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)Nc1cc(-c2cccc(Br)c2)nn1-c1ccccc1,NCGC00134202-01,18,5.5627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1,NCGC00102834-01,18,5.819,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1cc(NC(=O)COc2ccc(C)c(C)c2)n(-c2ccccc2)n1,NCGC00134270-01,18,5.1822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S1(=O)c2ccccc2N(Cc2cccc(C(F)(F)F)c2)c2ccccc21,NCGC00129411-01,18,5.1899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S1(=O)c2ccccc2N(Cc2ccc(F)cc2)c2ccccc21,NCGC00129409-01,18,4.3102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCOc2ccc(Cl)cc21,NCGC00128679-01,18,4.508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC1CCCCC1,NCGC00128022-01,18,3.8779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c2cc(Cl)ccc2O1,NCGC00128090-01,18,5.2866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c2cc(Cl)ccc2O1,NCGC00128292-01,18,4.9781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCOc4ccc(Cl)cc43)c2)on1,NCGC00128651-01,18,4.1995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)oc3ccccc23)c1,NCGC00126982-01,18,5.095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc21)Nc1cccc(Cl)c1,NCGC00125111-01,18,3.5049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CN1C(=O)COc2ccc(Cl)cc21,NCGC00085880-01,2,1.2384,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc32)c1C,NCGC00125133-01,18,3.4683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2oc3ccccc3c2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccc2c(c1)OCO2,NCGC00122594-01,18,4.3881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(Cc3cccc(F)c3)c2=O)cc1C,NCGC00122494-01,18,4.7028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)c1C,NCGC00121370-01,18,3.5097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2C)c1=O,NCGC00119578-01,18,4.2774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1OC,NCGC00121368-01,18,2.6303,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)c(C)c1,NCGC00121398-01,18,3.8182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21,NCGC00121614-01,18,3.5944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1Cl)Nc1nc(-c2ccc(F)cc2)ns1,NCGC00117696-01,18,4.0151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc(Br)cc2)ns1)c1ccccc1F,NCGC00118270-01,18,4.359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccn2cc(-c3ccc(C)c(NS(=O)(=O)c4ccc(Cl)cc4)c3)nc2c1,NCGC00117402-01,18,5.0723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)c2ccc(N3Cc4ccccc4Oc4ncccc43)s2)cc1,NCGC00113663-01,18,5.8255,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CNC(=O)c2ccc(N3Cc4ccccc4Oc4ncccc43)s2)c1,NCGC00128758-01,18,5.8255,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(CNC(=O)c2ccc(N3Cc4ccccc4Oc4ncccc43)s2)c1,NCGC00128762-01,18,5.5343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2c1Oc1ncccc1N(c1ccc(C(=O)NCc3ccccc3C)s1)C2,NCGC00128786-01,18,5.8341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)c2cc3c(s2)-c2ccccc2SC3)c1,NCGC00113650-01,18,5.2903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(Cl)cc1NC(=O)NC(C)c1c(-n2cccc2)sc(C)c1C,NCGC00113378-01,18,5.4783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)NC(C)c1c(-n2cccc2)sc(C)c1C,NCGC00113345-01,18,5.3554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)NC(C)c2c(-n3cccc3)sc(C)c2C)cc1F,NCGC00113347-01,18,5.4859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(-n2cccc2)c(C(C)NC(=O)Nc2ccccc2Cl)c1C,NCGC00113357-01,18,5.6917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c(NC(=O)NC(C)c2c(-n3cccc3)sc(C)c2C)cc1Cl,NCGC00113374-01,18,5.7089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,NCGC00112638-01,18,3.68,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc2C1,NCGC00085186-01,2,2.9728,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)Nc4cccc(C(F)(F)F)c4)cn3n2)cc1,NCGC00110861-01,18,7.1806,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)Nc4cccc(CC)c4)cn3n2)cc1,NCGC00110823-01,18,6.7242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)Nc4ccc(C)cc4Cl)cn3n2)cc1,NCGC00110831-01,18,7.1236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)Nc4cc(OC)ccc4OC)cn3n2)cc1,NCGC00110851-01,18,6.179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)Nc4ccc(C)c(F)c4)cn3n2)cc1,NCGC00110859-01,18,6.6093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=O)Cn2nnc(S(=O)(=O)c3ccc(C)c(C)c3)c2N)c(C)c1,NCGC00110649-01,18,2.8739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCC(C)CC3)c3ccccc3c2=O)cc1Cl,NCGC00106779-01,18,3.7228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)Nc1ccc(F)cc1Cl,NCGC00106737-01,18,4.0827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cn2ccn(-c3ccc(C)c(C)c3)c(=O)c2=O)cc1Cl,NCGC00121138-01,18,2.9167,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Br)ccc1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1,NCGC00105531-01,18,4.4773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1,MLS000585996-01,18,4.0232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(CC)c1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1,MLS000585997-01,18,4.5312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1c2c(nc3ccc(NC(=O)c4ccc(N(C)C)cc4)cc13)CCCC2,NCGC00103983-01,18,6.1841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc12,NCGC00103741-01,18,6.6239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1c2c(nc3ccc(NC(=O)/C=C/c4cccc(OC)c4OC)cc13)CCCC2,NCGC00104013-01,18,6.5349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1,NCGC00103923-01,18,4.6884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1,NCGC00102536-01,18,5.5711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)c2ccc(Cl)cc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccccc1,NCGC00102532-01,18,5.5625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3ccccc3)cc(C)c2O)cc1,NCGC00102542-01,18,3.6512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)c2c(O)c(C)cc(NS(=O)(=O)c3ccc(Cl)cc3)c2C(C)C)cc1,NCGC00102564-01,18,5.1196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)c2ccccc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccc(Cl)cc1,NCGC00141800-01,18,5.5625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)c2c3c(sc2n1)CCCC3,NCGC00101935-01,18,6.4253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)no1,MLS000072489-01,18,4.7207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)c(Cl)c1,NCGC00101640-01,18,3.163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2c(sc3nnn(CC(=O)Nc4ccccc4Cl)c(=O)c23)C1,NCGC00101182-01,18,3.2699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CCC(C(C)(C)C)C3,NCGC00117214-01,18,4.2051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOC(=O)c1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCC(C(C)(C)C)C4)cc1,NCGC00117284-01,18,4.2095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1,NCGC00074380-01,18,8.318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC1CC1C(NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1,NCGC00074372-01,2,6.244,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCC1CC1C(NC(=O)c1ccco1)c1ccc(Cl)cc1,NCGC00074418-01,2,5.2304,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCC[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1,NCGC00074430-01,18,6.7477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)[C@H](C)[C@H]2C[C@@]2(C)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c(F)c1F,NCGC00074199-01,18,6.2194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(I)cc(Cl)c2cccnc12,NCGC00021665-04,18,3.1984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12,NCGC00085619-01,2,4.1521,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1c(I)cc(Cl)c2cccnc12,MLS000069389-01,18,3.1984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(I)cc(I)c2cccnc12,MLS000069404-01,18,3.1496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(I)cc(I)c2cccnc12,NCGC00021685-03,18,3.1496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNc1ncc2nc(C)c(=O)n(CCC#N)c2n1,NCGC00011486-01,18,0.8404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNc1ncc2nc(C)c(=O)n(C[C@H]3CCCO3)c2n1,3233024,18,1.1057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2cnc(N3CCNCC3)nc2n(CCC#N)c1=O,NCGC00011412-01,18,-0.1818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1,NCGC00011450-01,18,4.946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1cncc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1,NCGC00012852-01,18,3.8969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2sc(NNC(=O)C3COc4ccccc4O3)nc2c1,MLS000724624-01,18,3.1962,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1=COCCO1,MLS000723256-01,18,4.4291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1sc2ccccc2c1Cl,MLS000722278-01,18,6.3503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2ccccc2c1C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1,MLS000707612-01,18,4.6944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc2[nH]c(O)c(N=NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c2c1,MLS000339629-01,18,6.3752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(Cl)c(C(=O)NN=Cc3c(C)[nH]c4ccccc34)sc2c1,MLS000392617-01,18,5.1169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc3c(c2)OCCO3)c1,MLS000392981-01,18,3.0311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccc(C)cc1,MLS000705955-01,18,3.9075,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1,MLS000339542-01,18,5.7042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1,MLS000525534-01,18,5.3659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=NNc1cccc(C)c1)c1cnnc(SC)n1,MLS000705906-01,18,3.1281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nncc(C(C)=NNc2ccccc2C)n1,MLS000537449-01,18,2.738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=NNc1ccccc1)c1cnnc(-c2ccccc2)n1,MLS000550455-01,18,3.7648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=NNc1ccc(Cl)cc1)c1cnnc(SC)n1,MLS000698671-01,18,3.4731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=NNc1cccc(Cl)c1)c1cnnc(SC)n1,MLS000705905-01,18,3.4731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(C)C1CCc2c(sc(N)c2C(N)=O)C1,MLS000705828-01,18,2.9703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2c(sc(N)c2C(N)=O)C1,MLS000106727-01,18,1.554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1CCc2c(sc(N)c2C(N)=O)C1,MLS000533622-01,18,2.3342,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c([N+](=O)[O-])c1,MLS000698220-01,18,2.8156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NN=Cc2ccco2)nc1-c1ccccc1,MLS000698132-01,18,4.1575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NN=Cc3ccco3)n2)c(C)c1,MLS000561772-01,18,4.4659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NN=Cc2cccs2)nc1-c1ccccc1,MLS000590539-01,18,4.626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnn3c2nc(NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc23)cc1,MLS000697328-01,18,3.5549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOCCCNc1nc2c(-c3ccccc3)nnn2c2ccccc12,MLS000586878-01,18,3.783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCNc1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12,MLS000586880-01,18,4.0463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nnn3c2nc(NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc23)c1,MLS000697308-01,18,3.5549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(S(N)(=O)=O)ccc21,MLS000697140-01,18,4.0012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(S(N)(=O)=O)ccc21,MLS000697060-01,18,4.554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cn1c(=NC(=O)c2nc3ccccc3s2)sc2cc(S(N)(=O)=O)ccc21,MLS000697072-01,18,2.2641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCn1c(=NC(=O)c2sc3ccccc3c2Cl)sc2cc(S(N)(=O)=O)ccc21,MLS000697120-01,18,3.5926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCn1c(=NC(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21,MLS000723180-01,18,2.3888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1,MLS000697052-01,18,5.0453,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1,MLS000696860-01,18,5.1613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCC(=O)N1CCN(c2ccccc2)CC1)Nc1nc(-c2ccc(Cl)s2)cs1,MLS000529755-01,18,4.5455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSC(=S)N1CCCCC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1,MLS000576252-01,18,5.4511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccccc2F)o1,MLS000680550-01,18,3.2767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)NC(=O)NC1/C=C/c1ccccc1,MLS000098954-01,18,2.2183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCc1c(F)cccc1Cl,MLS000535196-01,18,4.2491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)N=C(S)NC1c1ccc(-c2cccc(Cl)c2C)o1,MLS000573317-01,18,4.6756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)N=C(S)NC1c1ccc(-c2ccc(Cl)cc2)o1,MLS000588012-01,18,4.3672,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1oc(-c2ccccc2)nc1C=Nc1nccs1,MLS000591914-01,18,3.2543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1oc(-c2ccccc2)nc1C=Nc1cccc2ccccc12,MLS000550930-01,18,4.951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1oc(-c2cccc3ccccc23)nc1C=Nc1nccs1,MLS000586529-01,18,4.4075,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(-c2nc(C=Nc3nccs3)c(O)o2)cc1,MLS000586532-01,18,4.4332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2C)cc1,MLS000591862-01,18,4.4595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cccc(C)c2C)cc1,MLS000591847-01,18,4.7679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)cc2C)cc1,MLS000591848-01,18,4.7679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2C)cc1,MLS000591851-01,18,4.7679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)Cc1sc(NN=Cc2ccccc2)nc1-c1ccccc1,MLS000591687-01,18,4.4611,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1sc(Nc2ccccc2)nc1-c1ccccc1)NCc1ccccc1,MLS000375289-01,18,5.4126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1Nc1nc(-c2ccc(C)cc2)c(CC(=O)O)s1,NCGC00101474-01,18,4.8879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C=Nn2c(COc3ccccc3C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1,MLS000591629-01,18,4.0883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCc1nc2ccccc2c(=O)n1N=Cc1c[nH]c2ccccc12,MLS000588766-01,18,4.6474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2[nH]ncc2C=Nn2c(COc3ccccc3C)nc3ccccc3c2=O)cc1,MLS000588786-01,18,4.8646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCc1nc2ccccc2c(=O)n1N=Cc1c[nH]nc1-c1ccc(Br)cc1,MLS000588788-01,18,5.3187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=Nn1c(S)nnc1-c1ccc(Cl)cc1)=C\c1ccco1,MLS000590838-01,18,4.4176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NN1CCN(c2ccccc2)CC1)=C\c1ccco1,MLS000519036-01,18,3.4909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NN1CCN(c2ccccc2)CC1)=C/c1ccco1,MLS000556999-01,18,3.4909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1,MLS000574143-01,18,3.1079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1/C=C\C=Nn1c(S)nnc1-c1ccc(Cl)cc1,MLS000678802-01,18,4.4431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl,MLS000590719-01,18,3.9061,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)/C=C/c1cccs1,MLS000590202-01,18,3.0604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1ccccc1O,MLS000590714-01,18,2.3049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,MLS000590645-01,18,4.4706,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cccc2c1=O,MLS000389095-01,18,4.639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1-c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1,MLS000572738-01,18,4.779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Oc2coc3cc(OC(=O)c4cncc(Br)c4)ccc3c2=O)c1,MLS000590448-01,18,5.2704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc2ccccc2c1)c1cncc(Br)c1,MLS000518888-01,18,4.2165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C2CC(=O)N=C(NN=Cc3ccco3)S2)cc1,MLS000590154-01,18,2.5383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C/c1ccc(N(C)C)cc1)=NNC1=NC(=O)CC(C(=O)Nc2ccc(Cl)cc2)S1,MLS000564583-01,18,4.4115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(C(=O)Nc2ccccc2)SC(NN=Cc2ccco2)=N1,MLS000587797-01,18,2.2299,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)C2CC(=O)N=C(NN=Cc3ccco3)S2)c1,MLS000590152-01,18,2.5383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(C(=O)Nc2ccc(F)cc2)SC(NN=Cc2ccco2)=N1,MLS000591160-01,18,2.369,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCCCn1ccnc1,MLS000589692-01,18,5.5674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCCCn1ccnc1,MLS000589088-01,18,5.4283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1,MLS000589404-01,18,4.9572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1,MLS000334774-01,18,5.1105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12,MLS000577843-01,18,4.8414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C=NNC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(O)cc1,MLS000588615-01,18,3.877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)COc3cccc4cccnc34)c2C)c1,MLS000587273-01,18,4.7883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C=NNC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Br)cc1,MLS000587274-01,18,4.9339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc(Cl)cc2)o1,MLS000588474-01,18,5.2986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1,939860,18,3.4396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1,MLS000543727-01,18,5.1188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc(Br)cc2)o1,MLS000580869-01,18,5.4077,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(CSC(=S)N2CCN(c3ccccc3)CC2)nc(Nc2ccc(F)cc2)n1,MLS000588467-01,18,3.6768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)cc1Cl,MLS000084214-01,18,3.4814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1nc(N)nc(CSC(=S)N2CCCCC2C)n1,MLS000331553-01,18,3.5985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(CN2CCCCCC2)nc(Nc2ccc(F)cc2)n1,MLS000528861-01,18,2.7125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCNC(S)=NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1,MLS000588319-01,18,3.9432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1,MLS000335683-01,18,4.6147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nn(-c3ccccc3)cc2C=NN2C(=O)CSC2=S)cc1,MLS000558856-01,18,3.7421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(S)=NC(=N)Nc2nc(C)c3ccccc3n2)c1,MLS000588092-01,18,3.9912,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(S)=NC(=N)Nc2nc(C)c3ccccc3n2)cc1C,MLS000331503-01,18,4.2996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(N=C(N)N=C(S)Nc3cccc(C)c3)nc(C)c2c1,MLS000580456-01,18,3.5993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(S)=NC(=N)Nc2nc(C)c3ccc(C)cc3n2)c1,MLS000581188-01,18,4.2996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(S)=NC(=N)Nc2nc(C)c3ccccc3n2)c1,MLS000581347-01,18,4.2996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SC)nc2sc3c(c2c1=O)CCc1ccccc1-3,MLS000587110-01,18,4.1315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3,MLS000556199-01,18,4.5216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CCc1ccccc1-3,MLS000567513-01,18,4.6877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3,MLS000572231-01,18,4.9117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3Cc2cccc(C)c2)C1,MLS000586887-01,18,4.1443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2c3c(sc2n2cnnc2n1Cc1ccccc1)CN(Cc1ccccc1)CC3,MLS000069153-01,18,3.7123,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3Cc2ccc(C)cc2)C1,MLS000586886-01,18,4.1443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3Cc2c(F)cccc2Cl)C1,NCGC00111947-01,18,4.6284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cn12,MLS000586725-01,18,5.2154,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2nc(-c3cccc(NC(=O)Cc4ccccc4)c3)cn12,MLS000699429-01,18,4.4909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2sc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)nc12,MLS000585988-01,18,4.7193,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N(C(=O)c2ccco2)c2cc3sc(=O)oc3c3ccccc23)cc1,MLS000585893-01,18,4.645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1cccs1,MLS000521533-01,18,4.4471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1,MLS000531830-01,18,5.2841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N(C(=O)c2ccco2)c2cc3sc(=O)oc3c3ccccc23)cc1,MLS000585892-01,18,4.9448,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)N(C(=O)c2ccco2)c2cc3sc(=O)oc3c3ccccc23)cc1,MLS000585894-01,18,5.0351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NNC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)=C\c1ccco1,MLS000584792-01,18,4.642,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C(S)Nc1ccc(Br)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,MLS000583847-01,18,3.2366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1,MLS000401548-01,18,2.4198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CSc1nc2c(sc3ccc([N+](=O)[O-])cc32)c(=O)n1Cc1ccco1,MLS000583528-01,18,3.8159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2cccnc2[nH]c(=S)n1Cc1ccccc1,MLS000583516-01,18,2.5024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCn1c(=S)[nH]c2ncccc2c1=O,MLS000094798-01,18,2.6443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2cccnc2[nH]c(=S)n1CCC1=CCCCC1,MLS000094799-01,18,3.3446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCn1c(=S)[nH]c2ncccc2c1=O,MLS000094802-01,18,2.5002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(-c2cn(-c3ccc(Cl)cc3)c(S)n2)cc1,MLS000583506-01,18,4.3896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)nc2S)c(C)c1,MLS000390695-01,18,4.353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1,MLS000544364-01,18,4.3053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)nc2S)c1,MLS000583507-01,18,4.0446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1,MLS000583267-01,18,5.338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1,MLS000571293-01,18,5.683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1,MLS000571710-01,18,5.0382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(CC(=O)Nc2ccc(C)cc2)NC(=O)C(F)(F)F)cc1,MLS000585759-01,18,3.752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1,MLS000582924-01,18,5.9968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1,MLS000579541-01,18,4.69,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1,MLS000579600-01,18,5.4525,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC1OCCc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1,MLS000583677-01,18,5.2895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1,MLS000582403-01,18,3.9421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)NC(=O)c1ccccc1NC(=O)Nc1ccccc1,MLS000535551-01,18,3.8589,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C,MLS000698938-01,18,4.1508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccs1,MLS000581962-01,18,4.5186,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccs1,MLS000581088-01,18,3.1466,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NC(=S)NC(=O)C2CCCCC2)c(C(N)=O)c1C,MLS000579888-01,18,2.8571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NC(=S)NC(=O)C2CCCCC2)c(C(N)=O)c1C,ZINC358914,16,2.8571,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+COC(=O)CCC(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O,MLS000721992-01,18,1.23,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1,MLS000579338-01,18,6.4415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2cc(OCc3cccc(F)c3)c(Cl)cc2Cl)c1,MLS000327652-01,18,6.2722,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1,MLS000578510-01,18,5.6964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc43)nc(C)c2c1,MLS000579000-01,18,5.2053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(N=C(N)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc(C)c2c1,MLS000547690-01,18,2.0795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(C)nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc43)nc2c1,MLS000590939-01,18,5.2053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2nc(N=C(N)NC(=O)Nc3ccccc3)nc(C)c2c1,MLS000680571-01,18,3.323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1F,MLS000578858-01,18,5.539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccncc1)Nc1ccc(F)cc1F,MLS000064592-01,18,3.0038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NC(=O)Nc1ccc(Cl)c(Cl)c1,MLS000570447-01,18,4.4855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12,MLS000578840-01,18,5.964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl,MLS000578863-01,18,4.4934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Br)c1,MLS000578278-01,18,3.8469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1,MLS000390052-01,18,4.8598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCC(=O)NNC(=O)Cc1ccccc1,MLS000577493-01,18,2.737,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCC(=O)Nc1c(O)nc2ccccc2c1O,MLS000031290-01,18,3.5549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1,MLS000576942-01,18,3.8214,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C/c1ccccc1)=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,MLS000576515-01,18,3.3221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C/c1ccccc1)=NNC(=O)CNC(=O)c1ccc2c(c1)OCO2,MLS000557105-01,18,2.3506,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C/c1cccc([N+](=O)[O-])c1)=NNC(=O)c1cccnc1,MLS000702861-01,18,2.8089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(Nc1ccccc1Cl)C(=O)OCC(=O)c1cccs1)c1ccccc1,MLS000576285-01,18,4.8811,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1cccs1,3154680,18,3.4223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(Nc1cccc(Cl)c1Cl)C(=O)OCC(=O)c1cccs1)c1ccccc1,MLS000578239-01,18,5.5345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1,MLS000575680-01,18,5.0271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1,MLS000534536-01,18,4.7802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1,MLS000575697-01,18,4.8578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1,MLS000575037-01,18,5.037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CNc2ccc(N3CCCC3)cc2)cc1,MLS000062337-01,18,4.2976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1c2ccccc2-c2ccccc21)c1ccccc1,MLS000574714-01,18,4.1864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1,MLS000579855-01,18,4.4948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)NC1c2ccccc2-c2ccccc21,MLS000583647-01,18,4.1153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(C(=O)NC1c2ccccc2-c2ccccc21)c1ccccc1,MLS000592215-01,18,5.3124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OCCC)cc1,MLS000574338-01,18,4.4978,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1,MLS000120902-01,18,3.302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)OCc2ccco2)cc1,MLS000574591-01,18,4.881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)Nc1nnc(CSCCOc2ccc(Cl)cc2)s1,MLS000573874-01,18,5.8011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(Cc1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O,MLS000573735-01,18,4.8666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O,MLS000569433-01,18,4.8666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C(=O)NC(N=C(S)Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl,MLS000573699-01,18,5.0549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(=O)NC(N=C(S)Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl,MLS000573697-01,18,5.0549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc2c(c1)OCO2,MLS000572204-01,18,4.5686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)NCCc1ccc(Cl)cc1,MLS000335927-01,18,5.2135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CC(NC(=O)c3ccccc3Cl)c3ccccc3)cc2)cc1,MLS000336230-01,18,5.644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2cccc(NC(=S)NC(=O)c3ccccc3)c2n1,MLS000571639-01,18,3.9784,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NN2CCN(Cc3cccc4ccccc34)CC2)c(O)c1,MLS000570897-01,18,4.5433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1/C=C/C=NN1CCN(Cc2cccc3ccccc23)CC1,MLS000570863-01,18,4.6652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1,MLS000569564-01,18,3.0131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(=N\NC1=NC(=O)C(C)S1)c1ccc([N+](=O)[O-])cc1,9600777,18,1.9263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(NN=C(S)Nc2ccc(F)cc2)cc1,MLS000526297-01,18,3.4587,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(=NNc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1,MLS000569021-01,18,3.4621,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2C)cc1,MLS000571917-01,18,3.32,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc(N)c1C#N,MLS000569066-01,18,3.4425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C)cc1)=N2,MLS000568752-01,18,4.8995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2,MLS000121217-01,18,4.5192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(F)cc1)=N2,MLS000555377-01,18,4.7302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Br)cc1)=N2,MLS000563957-01,18,5.0996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccccc1)=N2,MLS000566936-01,18,4.5911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1,MLS000568450-01,18,5.0917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1conc1NC(c1cccs1)c1ccc2cccnc2c1O,MLS000043712-01,18,4.4998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(c2cccc(Cl)c2)c2ccc3cccnc3c2O)n1,NCGC00099932-01,18,5.4987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1C,NCGC00100696-01,18,5.1623,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1Cl,NCGC00101029-01,18,4.8959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1,MLS000564621-01,18,4.3797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1snc2sc(C(=O)c3ccc(Br)cc3)c(N)c12,1484484,18,4.2419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc2nc(C)cc(C)c2c1N,MLS000105453-01,18,2.672,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],MLS000561792-01,18,5.11,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C2/SC(N)=NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],MLS000578679-01,18,3.2329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,MLS000584406-01,18,5.1014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1,MLS000585086-01,18,4.269,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)n1,MLS000559253-01,18,4.5249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCSc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)COC(C)(CC)C3,MLS000558127-01,18,5.8264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Sc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,664810,18,5.0446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(-c2ccc(C=NN=C(S)Nc3ccccc3)o2)c1,MLS000557651-01,18,4.5866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2ccc(C=NN=C(S)Nc3ccccc3)o2)cc1[N+](=O)[O-],MLS000324980-01,18,4.895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)NCCCc2ccccc2)cc1Cl,MLS000557092-01,18,3.0846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)NC(C)CCc2ccco2)cc1Cl,MLS000074298-01,18,3.0661,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)C[S+]([O-])CC(=O)NCCCc2ccccc2)cc1,MLS000557085-01,18,2.6852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCc2nnc(NC(=O)OCC(C)C)s2)c(C)c1,MLS000556336-01,18,3.9384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=C(S)Nc1ccccc1,MLS000556066-01,18,5.7657,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(NC(=O)CC(C)C)c(OCC)cc1N=C(S)NCc1ccco1,MLS000553422-01,18,4.7687,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1N=C(S)Nc1cccc(OC)c1,MLS000556171-01,18,6.0827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1,MLS000555804-01,18,4.1929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1,MLS000555772-01,18,4.5013,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cn1c2c(c(O)c(C(=O)Nn3c(Cc4ccccc4)nc4ccccc4c3=O)c1=O)CCCC2,MLS000555487-01,18,3.7733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2c(n(CC(C)C)c1=O)CCCC2,MLS000036223-01,18,3.5251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,MLS000070156-01,18,3.0897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2c(n(CC(C)C)c1=O)CCCC2,MLS000555486-01,18,4.3053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2,MLS000555488-01,18,3.8724,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccc2c(c1)OCO2,MLS000555364-01,18,5.4529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCc4ccccc4Cl)o3)cc2)cc1,MLS000553513-01,18,5.7915,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)COc1ccc(CN=C(S)NN=Cc2ccc([N+](=O)[O-])cc2)cc1,MLS000552210-01,18,4.0391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(CN=C(S)NN=Cc2ccc([N+](=O)[O-])cc2)cc1,MLS000067626-01,18,3.7931,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(CN=C(S)NN=Cc2ccc(OC)c(OC)c2)cc1,MLS000544377-01,18,4.2922,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2cc(NC(=O)CSc3nc4c(C)cccc4cc3C#N)ccc2s1,MLS000551923-01,18,5.0638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C=Nn2nnnc2N)c1OCc1ccccc1Cl,MLS000549064-01,18,2.3785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl,6859930,18,3.0233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nnnn1N=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl,MLS000533955-01,18,4.3301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nnnn1N=Cc1cccc(OCc2ccccc2Cl)c1,MLS000548523-01,18,2.3699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C=NN=C(N)S)c1OCc1ccccc1Cl,MLS000698901-01,18,3.506,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(-c2ccccc2)n1,MLS000546242-01,18,5.3692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1,MLS000545964-01,18,4.2841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1,MLS000538830-01,18,4.2755,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1,MLS000538833-01,18,4.4146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1,MLS000538834-01,18,4.5839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)NC1CCCc2ccccc21,MLS000545773-01,18,4.5391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)COc2ccc(C(=O)NC3CCCc4ccccc43)cc2OC)cc1,MLS000335059-01,18,4.5287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2noc(-c3cc4ccccc4oc3=O)n2)cc1,MLS000545472-01,18,3.8184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2nnc(-c3cc4ccccc4oc3=O)o2)c(C)n1-c1ccccc1,MLS000055897-01,18,4.9175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc(-c3cc4cccc(OCc5cccc(C)c5)c4oc3=O)no2)cc1,NCGC00105405-01,18,5.7058,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)Nc1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1,MLS000544503-01,18,2.9532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(C=NNC(=O)c2ccccc2O)cc1)Nc1ccc([N+](=O)[O-])cc1,MLS000553627-01,18,3.0818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1,MLS000698771-01,18,2.7286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(F)cc1,MLS000544103-01,18,4.1078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1,MLS000331497-01,18,4.8149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccc1,MLS000556403-01,18,4.1539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1C=NNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1,MLS000543826-01,18,3.5861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(C=NNc2nc(Cl)nc3ccccc23)cc1,MLS000543407-01,18,4.3826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1nc2ccccc2nc1NN=Cc1ccc(Cl)cc1,MLS000326202-01,18,4.748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(C=NNc2nc(Cl)nc3ccccc23)c1,MLS000543410-01,18,4.3826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(C=NNc2nc(O)c3ccccc3n2)cc1,MLS000571412-01,18,2.487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(Cl)nc(NN=Cc2ccccc2)c(Cl)c1Cl,MLS000595048-01,18,4.3595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)cc1,MLS000543358-01,18,3.9778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)OCc1cc(-c2ccccc2)on1,MLS000326577-01,18,4.7437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)OCc1cn(-c2ccc(Cl)cc2)nn1,MLS000543354-01,18,4.3228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)OCc1cn(-c2ccc(Cl)cc2)nn1,MLS000543355-01,18,4.3228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)OCc1cn(-c2ccc(Cl)cc2)nn1,MLS000543357-01,18,3.9778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1,MLS000540238-01,18,5.6583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(S)nnc1-c1csc(-c2ccc(Cl)cc2)n1,MLS000539602-01,18,4.0306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)c(Cl)c1Cl,MLS000326830-01,18,6.2309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(S)nnc1-c1csc(-c2ccccc2)n1,MLS000539599-01,18,3.5433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(S)nnc1-c1csc(-c2ccccc2)n1,MLS000539600-01,18,3.3772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(S)nnc1-c1csc(-c2ccc(Cl)cc2)n1,MLS000539603-01,18,4.1967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c1,MLS000538756-01,18,4.0016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C)c1,MLS000552837-01,18,4.0016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N1CCN(CCCN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1,MLS000538139-01,18,4.7681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1,MLS000324660-01,18,4.8498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1,MLS000538135-01,18,5.1131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1,MLS000538136-01,18,5.925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1,MLS000699677-01,18,1.9209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OC(=O)c1c(NC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)sc2c1CCCC2,MLS000537494-01,18,6.3012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)CCC2)c1cnn2c1NC(c1ccco1)CC2C(F)(F)F,MLS000052876-01,18,4.8774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2CC(C(F)(F)F)n3ncc(C(=O)O)c3N2)c1,MLS000065224-01,18,3.2502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OC(=O)c1c(NC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)F)sc2c1CCCC2,MLS000555694-01,18,6.004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NN=C2CC(c3ccccc3)Oc3ccccc32)cc1[N+](=O)[O-],MLS000535907-01,18,4.1096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(NN=C2CC(c3ccccc3)Oc3ccccc32)c(F)c1,MLS000389953-01,18,5.3048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C1CC(c2ccccc2)Oc2ccccc21)C1CC1,MLS000392087-01,18,3.4407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)NN=C2CC(c3ccccc3)Oc3ccccc32)cc1,MLS000535877-01,18,4.2917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NN=C1CC(c2ccccc2)Oc2ccccc21)c1ccc(Br)cc1,MLS000535887-01,18,4.6555,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N,MLS000535535-01,18,4.616,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1,MLS000535573-01,18,4.9244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1,MLS000534764-01,18,4.4566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3cc(N)cc(N)c3)oc2c1,MLS000525387-01,18,2.9676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1,MLS000534375-01,18,3.6444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cc2nc(-c3cccs3)no2)cc1OC,NCGC00084958-01,2,3.4061,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NCc2nc(-c3ccccc3)no2)c1,NCGC00084961-01,2,3.6571,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1,MLS000063099-01,18,3.8511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2noc(COc3ccc(C(C)(C)C)cc3)n2)c1,NCGC00115127-01,18,4.6217,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,MLS000530996-01,18,4.5497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1,MLS000052215-01,18,3.8056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1,MLS000530023-01,18,2.1685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1,MLS000092803-01,18,2.9508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCC(Cc5ccccc5)CC4)cnc32)c1,MLS000092830-01,18,2.4671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2nnc3c(=O)n(Cc4ccccc4C)cnc32)cc1,MLS000092855-01,18,2.3425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1,MLS000102516-01,18,2.4585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(C=NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1,MLS000529204-01,18,5.0065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(C=NNc2ccc3ccccc3c2)o1,MLS000390889-01,18,3.787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)cc1,MLS000528697-01,18,4.715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)c1,654068,18,4.4152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)cc1,650554,18,4.4152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1,MLS000528650-01,18,4.2083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(N)n3nc(-c4ccc(C)cc4)cc3n2)cc1,MLS000570585-01,18,4.2623,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N(CC(=O)Nc2nc3ccc(C)cc3s2)S(=O)(=O)c2c(C)noc2C)cc1,MLS000523087-01,18,4.606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1,NCGC00085560-01,2,3.498,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=CCn1c(O)c(N=NC(=S)Nc2ccc(C)cc2)c2ccccc21,MLS000522063-01,18,5.322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(O)c(N=NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21,MLS000393376-01,18,5.3193,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(O)c(N=NC(=S)Nc2cccc(C)c2)c2ccccc21,MLS000522059-01,18,5.322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(O)c(N=NC(=S)Nc2ccc(OC)cc2)c2ccccc21,MLS000522060-01,18,5.0222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(O)c(N=NC(=S)Nc2cccc(OC)c2)c2ccccc21,MLS000522061-01,18,5.0222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCC(CNC(=O)Nc3cccc(OC)c3)C2)cc1,MLS000521179-01,18,3.3518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCC(CNC(=O)Nc3ccc(OC)cc3OC)C2)cc1,MLS000046707-01,18,3.3604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)NCC2CCN(c3ccc(OC)cc3)C2)cc1,MLS000521180-01,18,3.7419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N[C@H](C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)C(C)C)cc1,MLS000417199-01,18,3.7154,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12,NCGC00040240-01,2,4.43,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12,MLS000056010-01,18,4.43,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1,MLS000392716-01,18,3.6744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1ccc(O)cc1,MLS000416870-01,18,2.9718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1,MLS000416884-01,18,4.9061,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1Cc1ccco1,MLS000416376-01,18,3.3051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(C)cc(C2=NN=C(NCC)SC2)c1C,MLS000334812-01,18,3.1291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1ccccc1,MLS000335163-01,18,3.653,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1ccccc1F,MLS000335164-01,18,3.7921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNC1=NN=C(c2cc(C)n(Cc3ccco3)c2C)CS1,MLS000388719-01,18,3.1626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(O)c(C(=O)c2cc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2)c1,MLS000409307-01,18,4.0716,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1)c1cc(Cl)ccc1O,MLS000393354-01,18,4.4166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2cc(C(=O)c3cc(C)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1,MLS000402305-01,18,4.3257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1,MLS000402334-01,18,4.6707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc(C(=O)NCCc2ccccc2)c(=O)n(CCc2ccccc2)c1)c1cc(Cl)ccc1O,MLS000402354-01,18,4.6535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1,MLS000408862-01,18,4.0899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc2c(c1)OCO2,MLS000389164-01,18,4.7977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Nc2ccc(C)cc2Br)c1,MLS000402231-01,18,4.7099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Nc2ccc(Oc3c(F)c(F)c(F)c(F)c3F)cc2)c1,MLS000595228-01,18,6.1268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)C(Sc2nnc(Nc3ccccc3C)s2)c2ccccc2)c1,MLS000394934-01,18,6.0708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)C(Sc1nnc(Nc2ccccc2F)s1)c1ccccc1,MLS000335507-01,18,6.2099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1S(=O)(=O)N(C)C,MLS000394311-01,18,3.7333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1S(=O)(=O)N(C)C,MLS000393420-01,18,4.6062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1S(=O)(=O)N(C)C,MLS000393440-01,18,3.9528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1,MLS000409291-01,18,4.4854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1S(=O)(=O)N(C)C,MLS000409385-01,18,4.0908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1Sc2ccccc2NC1=O)OCc1cc(=O)oc2cc(O)ccc12,MLS000393940-01,18,3.0449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1Sc2ccccc2NC1=O)OCC(=O)N1CCc2ccccc21,MLS000057324-01,18,2.622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(COC(=O)CC3Sc4ccccc4NC3=O)cc(=O)oc2c1,MLS000334378-01,18,3.3479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)COC(=O)CC2Sc3ccccc3NC2=O)c(C)n1-c1ccccc1,MLS000335066-01,18,4.3231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(COC(=O)CC3Sc4ccccc4NC3=O)cc(=O)oc2c1C,MLS000336544-01,18,3.9561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(CN2CCN(c3ccccc3)CC2)nc2scc(-c3ccccc3)c12,MLS000393728-01,18,4.3861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(CN2CCc3ccccc32)nc2scc(-c3cccs3)c12,NCGC00039910-01,2,4.6881,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1nc(Cc2ccc(F)cc2)nc2scc(-c3ccc(F)cc3)c12,MLS000393456-01,18,4.9329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N2CCN(Cc3nc(O)c4c(-c5ccccc5)csc4n3)CC2)c1,MLS000394284-01,18,4.3947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCc2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccc(Cl)cc1,MLS000402307-01,18,6.288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1C,MLS000393509-01,18,3.6989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCSc2ccccc2)c1C,2108728,18,3.7424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)n1,MLS000393787-01,18,3.6879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1,MLS000393924-01,18,4.9085,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc3[nH]c(COc4ccc5ccccc5c4)nc3c2)cc1,MLS000393387-01,18,5.1045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc3[nH]c(COc4ccc(C#N)cc4)nc3c2)cc1,MLS000402271-01,18,3.823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1,MLS000393208-01,18,2.4856,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1,MLS000392389-01,18,4.6216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCn1nnc2ccccc2c1=O)c1cc(-c2ccccc2Cl)nc2ccccc12,MLS000390920-01,18,4.4746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)OCn1nnc2ccccc2c1=O,MLS000101744-01,18,1.9144,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1COc2ccc(C(=O)COC(=O)c3sc4ccccc4c3Cl)cc2N1,MLS000390866-01,18,3.9253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1,MLS000564639-01,18,2.3848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(OCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1,MLS000571454-01,18,2.4392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)s1,MLS000389861-01,18,4.3407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)C(Sc1nnc(-c2cccs2)o1)c1ccccc1,MLS000389860-01,18,5.5872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(SC(C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2ccccc2c1=O,MLS000333969-01,18,5.5956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(Sc1nnc(-c2cccs2)o1)c1ccccc1,MLS000390562-01,18,6.9424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c(C)n1-c1ccccc1,MLS000388703-01,18,4.2839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CN2CC(C)OC(C)C2)c(C)n1-c1ccccc1,NCGC00085746-01,2,3.386,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2ccc(Cl)cc2)o1,MLS000578768-01,18,3.4038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(NC(=O)CSc3ccc(Br)cc3)n2)c(OC)c1,MLS000388543-01,18,5.3206,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)c1,MLS000335122-01,18,4.4663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1cccc(Cl)c1Cl,MLS000375045-01,18,3.3242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc(C(F)(F)F)ccc1=O)NC(c1ccccc1)c1ccccc1,MLS000375406-01,18,3.7729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(C(=O)NN=Cc2cccc(Cl)c2Cl)cc1,MLS000544287-01,18,4.8807,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)c1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3,MLS000374782-01,18,5.3557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)c(Cl)c1,MLS000374649-01,18,3.2804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCN(c3ccccc3O)CC2)c(Cl)c1,MLS000339466-01,18,3.2804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)nn3)CC2)c(Cl)c1,MLS000558071-01,18,3.0182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CCCC(=O)N1c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1,MLS000584832-01,18,2.8731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)c1cc(-c2ccccc2Cl)nc2ccccc12,MLS000374620-01,18,6.0583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cc(C)n(Cc4ccccc4)c3C)cs2)cc1,MLS000335765-01,18,5.4874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)OCc1nc(N)nc(Nc2ccccc2C)n1,MLS000334822-01,18,2.7392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCc2nc(N)nc(Nc3cccc(C)c3C)n2)cc1,MLS000096875-01,18,3.4018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nc2ccccc2c1=O,MLS000567406-01,18,4.3081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(NC(=O)Cn3c(=O)oc4ccccc43)sc2C)cc1,MLS000334651-01,18,3.6737,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(NC(=O)c3cc(C(C)(C)C)nn3C)sc2C)cc1,MLS000074492-01,18,4.4104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cn1c(S(=O)(=O)Cc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1,MLS000327750-01,18,5.4075,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCn1c(S(=O)(=O)Cc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1,MLS000325570-01,18,4.9633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCn1c(S(=O)(=O)Cc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1,MLS000325590-01,18,4.8328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCn1c(S(=O)(=O)Cc2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1,MLS000325649-01,18,5.4776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCn1c(S(=O)(=O)Cc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1,MLS000327740-01,18,5.1326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(C)cc1,MLS000327155-01,18,4.6084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(OC)cc1,MLS000327066-01,18,4.3086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccccc1,MLS000327076-01,18,4.3,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(F)cc1,MLS000327086-01,18,4.4391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1,MLS000327145-01,18,4.9534,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(Cl)c(C(=O)Nc2ccc(Cl)cc2)c2ccccc21,MLS000326520-01,18,4.7374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(Cl)c(C=NOC(=O)c2ccc(Cl)cc2)c2ccccc21,MLS000326807-01,18,4.676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(SCc2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1,MLS000325540-01,18,5.9291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1cccc(Cl)c1,MLS000416466-01,18,4.9074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C#N)c1,MLS000325065-01,18,5.1559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1[N+](=O)[O-],MLS000538179-01,18,4.2913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NC(=O)C2CCCCC2)c(C#N)c1-c1ccccc1,MLS000545116-01,18,5.114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1sc2ccccc2c1Cl,MLS000324813-01,18,6.9754,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)Nc2ccccn2)c2ccccc12,MLS000123964-01,18,3.4343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)n2ccnc2)c2ccccc12,NCGC00085609-01,2,2.672,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(Cl)c(S(=O)(=O)Nc2ccccn2)cc1OCC(N)=O,MLS000049411-01,18,1.7083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2cccnc12,MLS000086053-01,18,3.163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1,MLS000531441-01,18,3.2429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCCN(c3nc4cc(C)ccc4cc3C#N)CC2)cc1,MLS000123418-01,18,3.6243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCN(c3nc(C(C)C)c4c(c3C#N)CC(C)(C)OC4)CC2)cc1,MLS000071312-01,18,3.7473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)c(C#N)cc2c1,MLS000123117-01,18,3.8876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccccc2O)o1)Oc1ccc(Br)cc1,MLS000123113-01,18,3.9024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2ccccc2O)o1)Oc1ccc(OCc2ccccc2)cc1,NCGC00029140-01,2,4.7189,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnc(-c2ccccc2O)o1)Oc1ccc(OCc2ccccc2)cc1,MLS000032341-01,18,4.7189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1C(=O)CSc1n[nH]c2c3cc(F)ccc3nc-2n1,MLS000121449-01,18,3.6667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NNC(=O)CSc2n[nH]c3c4cc(F)ccc4nc-3n2)cc1,MLS000552289-01,18,2.4585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1Cc1ccco1,MLS000116914-01,18,4.611,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccco1,MLS000522465-01,18,4.3547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)c1cc(-c2cccc(O)c2)on1,MLS000116289-01,18,3.8619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)cc1,MLS000113779-01,18,5.0829,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2ncnc(SCC(=O)c3cccs3)c2c1C,MLS000111794-01,18,4.3446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(SCC(=O)c3cccs3)ncnc2s1,MLS000062666-01,18,4.2902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(CC1CC1)C(=O)CSc1ncnc2sc(C)c(C)c12,MLS000564862-01,18,4.0488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(NC(=O)c2ccc(Br)o2)cc1C,MLS000111085-01,18,3.6168,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1occc1C(=O)Nc1ccc2ccccc2c1,MLS000108823-01,18,3.9935,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1C,MLS000065840-01,18,2.6441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc2ccccc2c1,MLS000529479-01,18,5.6605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1CCc2c([nH]c3ccccc23)C1=O,MLS000104474-01,18,2.9663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1CCc2c([nH]c3ccc(C)cc23)C1=O,MLS000052984-01,18,3.2747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1CCc2c([nH]c3c(C)cccc23)C1=O,MLS000052985-01,18,3.2747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12,NCGC00094364-01,18,3.1009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12,NCGC00094364-03,18,3.1009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2ccccc2n1CCNC(=O)c1cccs1,MLS000101692-01,18,3.4412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NCCn2c(C)cc3ccccc32)cc1,NCGC00043481-01,2,3.2366,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Clc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1,MLS000100817-01,18,3.0691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)CC1,MLS000036775-01,18,2.1026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCCCCC4)nc32)cc1,MLS000037881-01,18,3.9175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)cc1,MLS000089196-01,18,3.5183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1,MLS000100850-01,18,3.7589,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(SC(F)F)cc1)c1ccc2nccnc2c1,MLS000099897-01,18,4.1968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(SC(F)F)cc1)c1cccc2nc3ccccc3nc12,MLS000536812-01,18,5.35,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)COc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1,MLS000574684-01,18,5.2884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NCC(=O)Nc2ccc(Cl)cc2C)c(OC)c1,MLS000099265-01,18,3.7162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1,MLS000062921-01,18,3.7527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)COC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1,MLS000416410-01,18,5.3937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)c(C)c1,MLS000547974-01,18,4.1412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccnc1)c1ccc(COc2ccccc2Br)o1,MLS000099220-01,18,3.9461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21,MLS000091734-01,18,2.9053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21,MLS000045260-01,18,2.5152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)C1,MLS000091731-01,18,2.7964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2c1c(=O)oc1ccccc12,MLS000091355-01,18,3.6864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCc3ccco3)c2=O)CCC4)cc1,MLS000090558-01,18,3.0107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2CC(=O)NCc1ccco1,MLS000520062-01,18,3.7589,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)CCC3)c1ccc(F)cc1,NCGC00106148-01,18,3.7246,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,MLS000086358-01,18,3.7758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCSc1nnc2scc(-c3ccccc3)n12)Nc1nc(-c2ccccc2)ns1,MLS000085259-01,18,5.0972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCSc1nnc2scc(-c3ccccc3)n12)Nc1nc(-c2ccccc2)ns1,NCGC00042812-01,2,5.0972,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1C1C2=C(N=C3SCC(=O)N31)c1ccccc1CC2,MLS000078810-01,18,4.0388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1C2=C(N=c3s/c(=C/c4cccc(OCC(=O)O)c4)c(=O)n31)c1ccccc1CC2,6292691,18,3.7907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1,MLS000078811-01,18,4.0388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)c1OC,MLS000113775-01,18,4.0474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2C3=C(N=c4sc(=Cc5ccc(O)cc5)c(=O)n42)c2ccccc2CC3)c1OC,MLS000580948-01,18,4.0415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(CNc2ccc(F)cc2)c2cccnc12,MLS000075517-01,18,3.6916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(CNc2ccccc2)c2cccnc12,NCGC00031480-01,2,3.5525,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1ccc(CNc2ccc(F)cc2)c2cccnc12,NCGC00031484-01,2,3.6916,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1ccc(CNc2ccccc2)c2cccnc12,MLS000075475-01,18,3.5525,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccnc1NCc1ccc(O)c2ncccc12,MLS000075485-01,18,3.2559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(OC(=O)c2cccs2)cc1)c1ccco1,MLS000075393-01,18,3.8126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(Cc2csc(Nc3cccc(Cl)c3)n2)o1)N1CCc2ccccc21,MLS000074934-01,18,5.1953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(Cc2csc(Nc3cccc(Cl)c3)n2)o1)N1CCc2ccccc21,NCGC00028493-01,2,5.1953,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)no1,MLS000057176-01,18,3.6385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCc1ccccc1Cl,NCGC00038084-01,2,4.0195,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCc1ccccc1Cl,MLS000048843-01,18,4.0195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,MLS000389553-01,18,3.8446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)NC(N)=O,MLS000567404-01,18,2.2979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(CN3CCc4ccccc43)c2cc1Cl,MLS000056865-01,18,4.3175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CN3CCCc4ccccc43)cc(=O)oc2c1C,MLS000056846-01,18,4.3626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1OC)CN(Cc1cc(=O)oc3cc(C)c(Cl)cc13)CC2,MLS000335895-01,18,4.3303,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)CC(c1ccco1)CC2=O,MLS000052517-01,18,2.6888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)c(Cl)c1,MLS000050376-01,18,4.7386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c1,NCGC00066674-01,2,4.4839,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c1,MLS000041203-01,18,4.4839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)cc1,MLS000041206-01,18,4.4839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1,MLS000066522-01,18,2.8386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1nnc2ccccc2c1=O)NC1CCCc2ccccc21,MLS000048423-01,18,1.9853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1,MLS000048176-01,18,4.7936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2,MLS000041541-01,18,3.838,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1csc(-c2nc3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)c1,MLS000040296-01,18,4.485,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12,MLS000558485-01,18,3.7196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,MLS000040217-01,18,4.5962,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOCCCn1c(-c2ccco2)nc2nc3ccccc3nc21,664254,18,4.4463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCn1c(-c2ccco2)nc2nc3ccccc3nc21,664201,18,2.8859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(-c2ccccc2)nc2nc3ccccc3nc21,MLS000041047-01,18,3.8325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1,MLS000589101-01,18,4.8339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2nc(O)c(CN(CCN3CCCC3)C(=O)NC3CCCCC3)cc2c1,MLS000031594-01,18,4.4429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(O)nc2c1C,MLS000030041-01,18,4.8262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c2nc(O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)cc12,MLS000070853-01,18,4.8262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(O)nc2c1,MLS000070900-01,18,4.8262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2nc(O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3OC)cc2c1,MLS000123122-01,18,5.7457,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CSc1nc(N(C)C)nc(N(C)C#N)n1,657983,18,0.5101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(C(=O)OCC)N(C#N)c1nc(SC)nc(N(C)C)n1,658152,18,0.4418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CSc1nc(NC#N)nc(N(CC)CC)n1,MLS000071422-01,18,1.266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C#Cc1ccccc1)c1cccc([N+](=O)[O-])c1,781112,18,2.8292,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1,1211724,18,2.8292,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1F)c1cccc([N+](=O)[O-])c1,MLS000699921-01,18,3.63,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1nc2ccccc2s1,2110316,18,4.0763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccccc1Cl)OCc1cc(=O)n2ccsc2n1,16026754,18,1.8826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(Cl)cc1)OCc1nc2ccccc2s1,2379675,18,3.4229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C1\N=C(c2ccc(F)cc2)OC1=O,2327951,18,4.2645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C1\N=C(c2ccccc2)OC1=O,2328636,18,4.1254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C1\N=C(c2ccc(OC(C)C)cc2)OC1=O,2328634,18,4.9126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)Oc1ccccc1/C=C1/N=C(c2ccc(F)cc2)OC1=O,2182399,18,2.5086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCOCC1,2338527,18,3.1707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c1C,2468954,18,2.4468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(F)cc2)c(C)n1Cc1ccco1,2474679,18,3.0412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1,2108786,18,4.2089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1,2997708,18,0.723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C,3144747,18,2.8263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(CC(C)C)NC(=O)OC(C)(C)C,12005428,18,2.0382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O,MLS000547536-01,18,2.5603,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCC(=O)OCC(=O)NC2CCS(=O)(=O)C2)cc1C,3503929,18,-0.1203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(C(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1)C1CCS(=O)(=O)C1,4266952,18,0.612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)COC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O)cc1Cl,3556842,18,3.1962,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O)c(C)c1,3988727,18,3.151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)COC(=O)C(CC(C)C)N1C(=O)C2CC=CCC2C1=O,3976161,18,3.1962,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)C2CC=CCC2C1=O,3576709,18,3.1876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1,4578894,18,3.8133,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1,2425149,18,3.4907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1,5343248,18,3.4205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)/C(=N/OC(=O)c2ccccc2)c2ccccc21,5408950,18,2.2241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C(=O)O/N=C1/C(=O)N(c2ccccc2)c2ccccc21,6860915,18,3.6583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(=O)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21,5525115,18,3.6583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)O/N=C2\C(=O)N(C)c3ccccc32)c1,5406656,18,2.5325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)/C(=N\OC(=O)c2cccc3ccccc23)c2ccccc21,5347385,18,3.3773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(/C=N\Nc2nccs2)c1,5894016,18,3.2425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(Cl)c1C=NNc1nccs1,MLS000572415-01,18,3.8959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(C=NNc2nnc(Cl)c3ccccc23)c1,MLS000595231-01,18,4.3826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1,5928724,18,3.7429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1,2296268,18,3.1793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1,2282647,18,3.1901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c1O,6603986,18,5.3967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c1O,Rottlerin,1,5.3967,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c1O,NCGC00015896-01,2,5.3967,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c1O,NCGC00025228-01,2,5.3967,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)C=Cc4ccccc4)c2O)OC(C)(C)C=C3)c1O,Rottlerin,6,5.3967,"McGovern SL and Shoichet BK, J Med Chem 46, 1478-1483 (2003)"
+COc1cccc(/C=N/NC(N)=S)c1OS(=O)(=O)c1ccccc1,6872655,18,1.63,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)NC1CCCCC1)n1c(SCc2ccc(F)cc2)nc2ccncc21,15945486,18,5.2627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)NC1CCCCC1)n1c(SCc2cccc(C)c2)nc2ccncc21,15945489,18,5.432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)NC1CCCCC1)n1c(SCc2cccc(F)c2)nc2ccncc21,15945487,18,5.2627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)NC1CCCCC1)n1c(SCc2ccccc2F)nc2ccncc21,15945484,18,5.2627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)CC1,16013801,18,2.6076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(=C2Nc3ccccc3C2=O)Nc2ccccc21,Indigo,6,2.8148,"McGovern SL and Shoichet BK, J Med Chem 46, 1478-1483 (2003)"
+O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=O,Indirubin,1,2.6582,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C1/C(=C2/Nc3ccccc3C2=O)Nc2ccccc21,Indigo,1,2.8148,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C1Nc2ccccc2C1=C1Nc2ccccc2C1=O,Indirubin,6,2.6582,"McGovern SL and Shoichet BK, J Med Chem 46, 1478-1483 (2003)"
+O=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21,indigo_carmine,19,1.3082,Shoichet Lab In House Data - Parnian Lak
+N#Cc1nc(-c2ccccc2F)oc1NC1CCCCC1,NCGC00085870-01,2,4.097,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(C)c1oc(-c2ccccc2F)nc1C#N,NCGC00085868-01,2,2.4184,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+c1ccc(-c2nc(-c3cccc4ccccc34)c(NC3CCCCC3)o2)cc1,NCGC00161479-01,18,6.9064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCc2nnc3n2N=C(c2ccc(OC)cc2)CS3)cc1,NCGC00085795-01,2,3.2324,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,NCGC00085827-01,2,3.9863,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+c1ccc(-c2ccc(C3=Nn4c(Cn5nnc6ccccc65)nnc4SC3)cc2)cc1,MLS000544436-01,18,4.0962,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(C2=Nn3c(Cc4ccccc4F)nnc3SC2)cc1,MLS000567153-01,18,3.5052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccccc1Cc1nnc2n1N=C(c1ccc(Cl)cc1)CS2,MLS000567710-01,18,4.0195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)c1ccc2snnc2c1,NCGC00085633-01,2,1.0509,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N(C)C(=O)c2ccc3snnc3c2)cc1,NCGC00085627-01,2,2.9765,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(NC(=O)c2ccc3snnc3c2)CC1,NCGC00085637-01,2,2.042,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccccc1)Nc1ccc2snnc2c1,MLS000528663-01,18,3.3353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(OC(=O)c2ccc3snnc3c2)cc1,MLS000585343-01,18,4.208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1nc2ccccc2[nH]1)NC1CCCCC1,NCGC00085623-01,2,2.9444,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+S=C(NC1CCCCC1)N(CCc1nc2ccccc2[nH]1)C1CCCC1,3224008,18,4.5572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1,NCGC00085557-01,2,2.6912,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C,NCGC00084859-01,2,2.5192,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1cccs1,NCGC00085417-01,2,2.3406,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccnc1,NCGC00085387-01,2,2.4116,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccs1,NCGC00085389-01,2,3.0781,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCC(NC(=O)C2(C)CCC(=O)N2Cc2cccnc2)CC1,NCGC00085393-01,2,2.6576,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1(C(=O)NCc2cccnc2)CCC(=O)N1CCc1ccccc1,NCGC00085419-01,2,2.3216,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(/N=c2/c(O)c(O)/c2=N/CCCN(C)Cc2ccccc2)CC1,NCGC00085290-01,2,1.9178,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN(CC)CC/N=c1/c(O)c(O)/c1=N/C1CCN(C(=O)OCC)CC1,NCGC00085294-01,2,1.5177,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(/N=c2/c(O)c(O)/c2=N/CCN2CCN(c3cccc(Cl)c3)CC2)CC1,NCGC00085296-01,2,1.8713,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(/N=c2/c(OCC)c(O)c2=O)CC1,NCGC00085596-01,2,0.5483,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(OCC(=O)NCc2ccncc2)c1C,NCGC00085147-01,2,2.3936,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)C(C(=O)Nc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O,NCGC00085118-01,2,3.713,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CSCCC(C(=O)Nc1ccc2c(c1)OCCO2)N1Cc2ccccc2C1=O,NCGC00085011-01,2,3.174,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)C(CCS(C)(=O)=O)N2Cc3ccccc3C2=O)c(OC)c1,NCGC00085013-01,2,2.1016,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O,MLS000119272-01,18,3.4245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCNC(=O)CC(c1cc(OC)c(OC)c(OC)c1)N1Cc2ccccc2C1=O,NCGC00125316-01,18,2.9523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CN1,NCGC00084926-01,2,1.7686,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CC(c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CN1,NCGC00084922-01,2,1.1636,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COCCNS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1,NCGC00084954-01,2,0.2148,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1,NCGC00084984-01,2,0.7308,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(NC(=O)c2cnn3ccccc23)CC1,NCGC00084756-01,2,1.685,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1,NCGC00084776-01,2,1.2486,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2oc(=O)c3cc(C(=O)NCCN4CCN(C)CC4)sc3c2c1,NCGC00084672-01,2,2.2933,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5ncccn5)CC4)sc3c2c1,NCGC00084668-01,2,3.0685,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2oc(=O)c3cc(C(=O)NCCCN4CCc5ccccc5C4)sc3c2c1,MLS000586838-01,18,4.4943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1[S+]([O-])Cc1ccc(C(=O)NC2CCCC2)o1,NCGC00084589-01,2,3.2684,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1[S+]([O-])Cc1ccc(C(=O)NCc2ccccc2Cl)o1,NCGC00084585-01,2,4.1794,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2C1c1cccc(OC)c1,NCGC00079991-01,2,2.3999,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)n2c(sc(=Cc3ccco3)c2=O)=N1,MLS000038064-01,18,3.3683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cccs4)c(=O)n32)cc1,MLS000533825-01,18,3.2569,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2C1c1ccc(F)cc1,MLS000549127-01,18,2.6088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3)c(=O)n2C1/C=C/c1ccccc1,MLS000559781-01,18,3.3887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCc1ccc(Cl)cc1)c1ccco1,NCGC00039478-01,2,4.0491,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSCc1ccco1)c1ccc(Cl)s1,NCGC00038155-01,2,4.1106,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSCCSCC(=O)c1ccco1)c1ccco1,MLS000060720-01,18,3.4046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12,1_13_2,1,8.1486,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=S(=O)(O)c1cc(O)c(N=Nc2ccc3ccccc3c2O)c2ccccc12,1_07,1,5.0663,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12,Congo_Red,9,7.4634,"McGovern SL, Helfand, BT, Feng, B and Shoichet BK, J Med Chem, 46, 4265-4272 (2003)"
+Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12,3834960,18,7.4634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)[O-])c4ccccc4c3N)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2ccccc2c1N,13816,18,2.0882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,NCGC00161597-01,18,4.6581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,NCGC00015889-01,2,6.0752,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,NCGC00092353-01,2,6.0752,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,Raloxifene,4,6.0752,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,NCGC00142502-01,18,1.5346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O,MLS000069364-01,18,1.6469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,NCGC00024027-02,18,1.9351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,NCGC00024646-01,18,1.9247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2cc(Cl)ccc2Oc2cc(Oc3ccccc3)ccc21,NCGC00141770-01,18,5.4903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Oc2ccc3c(c2)Oc2ccccc2NC3=O)c1,NCGC00103087-01,18,5.1453,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2ccccc2Oc2cc(Oc3cccc(Cl)c3)ccc21,NCGC00103175-01,18,5.4903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2ccccc2Oc2cc(Oc3ccc(Cl)cc3)ccc21,NCGC00141740-01,18,5.4903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(/C=C/c2ccccc2)nc2ccccc21,NCGC00141232-01,18,4.6167,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Cn1c(/C=C/c2ccccc2)nc2ccccc21,MLS000588109-01,18,5.2636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2OC)cc1,MLS000591955-01,18,5.2722,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1,NCGC00141035-01,18,4.9424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2=CC(c3c(F)cccc3Cl)n3c(nc4ccccc43)N2)cc1,NCGC00140777-01,18,6.4472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2=CC(c3cccc(C)c3)n3c(nc4ccccc43)N2)cc1,NCGC00140745-01,18,5.9631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=CC(c3ccccc3C)n3c(nc4ccccc43)N2)cc1,NCGC00140747-01,18,5.7091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C2=CC(c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1Cl,NCGC00140775-01,18,6.9069,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c(C)c1,NCGC00139592-01,18,5.2257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1,NCGC00139073-01,18,6.0761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1,NCGC00138937-01,18,6.0166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1,NCGC00139013-01,18,6.0675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)cc1,NCGC00139063-01,18,5.9251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(-n2ncc3c(NCCCc4ccccc4)ncnc32)cc1,NCGC00139015-01,18,3.9993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1,NCGC00139025-01,18,5.4905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)c2c(Nc3ccc(F)cc3)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,NCGC00132226-01,18,5.0141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1ccccc1Cl,NCGC00129713-01,18,4.263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)cc1F,NCGC00105241-01,18,4.0571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CS2,NCGC00128639-01,18,2.9129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc3ccccc3c2C(=O)Nc2cccc(C(F)(F)F)c2)cc1,NCGC00128028-01,18,5.8763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc3ccccc3c2C(=O)Nc2cccc(Cl)c2)cc1,NCGC00128010-01,18,5.5109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccccc1NC1(c2ccc(OC)cc2)C(=O)c2ccccc2C1=O,NCGC00127367-01,18,4.2585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2(Nc3cccc(F)c3)C(=O)c3ccccc3C2=O)cc1,NCGC00107352-01,18,4.2209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O,NCGC00126308-01,18,4.3902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O,NCGC00126336-01,18,4.4719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n(C)c1C,NCGC00127301-01,18,3.3483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)n(C)c2cc(-c3cccc(C(F)(F)F)c3)c(O)cc12,MLS000592170-01,18,5.0548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1,NCGC00123047-01,18,2.3767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)cc1,NCGC00126496-01,18,4.2876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12,NCGC00126494-01,18,4.3779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)c1,NCGC00126498-01,18,3.9964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)cc1,NCGC00141447-01,18,3.7449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2c3c(n(C)c4ccccc34)C(=O)N2CC(=O)Nc2ccc(C)cc2Cl)cc1,NCGC00125937-01,18,5.3326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2c3c(n(C)c4ccccc34)C(=O)N2CC(=O)Nc2ccccc2Cl)cc1,NCGC00125901-01,18,5.0242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2c3c(n(C)c4ccccc34)C(=O)N2CC(=O)Nc2cccc(Cl)c2)cc1,NCGC00125903-01,18,5.0242,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2c3c(n(C)c4ccccc34)C(=O)N2CC(=O)Nc2ccc(C)c(Cl)c2)cc1,NCGC00125933-01,18,5.3326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1,NCGC00121647-01,18,4.3145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1,NCGC00121334-01,18,4.7046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1,NCGC00121358-01,18,5.5696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1,NCGC00121360-01,18,5.1795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(F)ccc1F)C1CCN(c2nc3ccccc3n3cccc23)CC1,NCGC00121478-01,18,4.6208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1,NCGC00121480-01,18,5.313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1Cl)C1CCCN(c2nc3ccccc3n3cccc23)C1,NCGC00121482-01,18,4.6737,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1ccc(CNC(=O)C2CCN(C(=O)N3CCOc4ccc(Cl)cc43)CC2)cc1,NCGC00121409-01,18,4.4744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cccs1)C1CCN(C(=O)N2CCOc3ccc(Cl)cc32)CC1,NCGC00121385-01,18,3.7487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1,NCGC00120838-01,18,3.9309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)Cn2nc(C)n3cccc3c2=O)c(C)c1,NCGC00120583-01,18,2.5977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)c(C)c1,MLS000582586-01,18,4.7956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)Cn2nc(C)n3cccc3c2=O)ccc1Br,NCGC00120575-01,18,2.514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)Cn1nc(C)n2cccc2c1=O,NCGC00120579-01,18,1.1294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)NC1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O,NCGC00120387-01,18,4.3196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2cc(OC)c(OC)c(OC)c2)=C1,NCGC00120369-01,18,2.2229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)c3ccccc3)=C2)cc1OC,NCGC00120399-01,18,2.4444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C(C)=O)cc3)=C2)c1,NCGC00120403-01,18,2.4083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)cc1,NCGC00120561-01,18,2.2586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(Sc3ccc(C)cc3)c(C(=O)NCC(C)c3ccccc3)[nH]c2c1,NCGC00120170-01,18,6.1696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)NC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1,NCGC00120094-01,18,5.8092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)NC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(C)cc1,NCGC00120160-01,18,5.1644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(Sc3ccc(C)cc3)c(C(=O)NC(C)c3ccccc3)[nH]c2c1,NCGC00120164-01,18,6.1271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1,NCGC00120020-01,18,5.0973,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1ccccc1F,NCGC00120046-01,18,4.3517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CNC(=O)CCSCc1cnn(-c2ccccc2)c1-n1cccc1,NCGC00120054-01,18,4.9111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1noc(-c2ccccc2OCC(=O)Nc2ccccc2[N+](=O)[O-])n1,NCGC00119343-01,18,3.7857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)COc2ccccc2-c2nc(C)no2)cc1,NCGC00119341-01,18,3.2651,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccc(C(C)C)cc1,NCGC00118369-01,18,5.4041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(C(C)(C)C)cc1,NCGC00118341-01,18,5.813,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1,NCGC00117431-01,18,4.7892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OC(=O)c1nc(SCc2ccccc2F)ncc1Cl,NCGC00117102-01,18,5.089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NS(=O)(=O)c1ccc(CCNC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1,NCGC00117232-01,18,3.1813,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1,NCGC00117418-01,18,4.9585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc2c(c1)CC(c1ccccc1)OC2=O,NCGC00116182-01,18,6.0938,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)CC(c3ccccc3)OC4=O)s2)cc1,NCGC00116206-01,18,6.0028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)CC(c3ccccc3)OC4=O)s2)cc1,NCGC00116208-01,18,6.5638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(NC(=O)COc3c(C)cc(C)cc3C)on2)cc1,NCGC00115974-01,18,4.5928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(NC(=O)c3ccccc3Cl)on2)cc1,NCGC00115970-01,18,4.5557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2ccc(O)c(CN(C)Cc3ccccc3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1,NCGC00115691-01,18,6.3499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CC(=O)Nc3ccccc3C(F)(F)F)coc2c1C,NCGC00115269-01,18,5.2496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(-c2nc(-c3ccccc3)cs2)c2ccccn2c1C(=O)c1ccc2c(c1)OCO2,NCGC00114878-01,18,5.2717,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(-c2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccn2c1C(=O)c1ccc(Cl)cc1,NCGC00114818-01,18,5.9251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccc(OC)cc4)cs3)c3ccccn23)cc1,NCGC00114826-01,18,5.5602,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccc5c(c4)OCO5)n4ccccc34)n2)cc1,NCGC00114858-01,18,5.5801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(c3nc4ccccc4n4nnnc34)CC2)c1,NCGC00113718-01,18,2.6159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3n3nnnc23)cc1,MLS000066362-01,18,2.6479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3s2)CC1,NCGC00113644-01,18,5.116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2nc3ccc(C(=O)NCc4ccccc4Cl)cc3s2)CC1,NCGC00113642-01,18,5.116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2oc3ccccc3c2n1CC(=O)Nc1cccc(SC)c1,NCGC00113188-01,18,4.5347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(NC(=O)Cn2c(C(=O)OC)cc3occc32)c1,NCGC00113027-01,18,3.222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2occc2n1CC(=O)Nc1cccc(SC)c1,NCGC00113029-01,18,3.3815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2cccnc21,NCGC00112563-01,18,2.9687,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CCCNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2c1c1ccccc1n2C)c1ccccc1,NCGC00108900-01,18,5.1858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1Cl,MLS000045513-01,18,4.0624,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(c2ccc(Cl)cc2Cl)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C,NCGC00104741-01,18,5.7834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(c2ccccc2Cl)c2c(O)oc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C,MLS000580642-01,18,5.13,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1,NCGC00104433-01,18,5.1985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(c2ccc(Br)cc2)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C,NCGC00104739-01,18,5.2391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3)cc2)c1,NCGC00102812-01,18,5.819,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1,OSU-03012,19,5.7617,Shoichet Lab In House Data - Parnian Lak
+CCOc1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c2ccccc12,NCGC00102765-01,18,4.3662,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cccc(NC(=O)c3cccc4ccccc34)c2n1,NCGC00102617-01,18,4.9487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cccc(NC(=S)NC(=O)c3c(Br)cnn3C)c2n1,MLS000550535-01,18,3.166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1sc(NC(=O)c2cccc3ccccc23)nc1C,MLS000565966-01,18,4.0596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12,MLS000579242-01,18,5.5817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC(=O)COc3ccccc3)cc12,NCGC00100127-01,18,5.4343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1,MLS000027600-01,18,3.8557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccccc3)cc12,NCGC00098235-01,18,5.3348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3cccc(Cl)c3)cc12,NCGC00098292-01,18,5.9882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2C(=O)C(O)(CC(=O)c3ccc(C)cc3)c3ccccc32)cc1,NCGC00099997-01,18,4.3108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)C(O)(CC(=O)c2cccc(-n3cccc3)c2)c2ccccc21,MLS000050155-01,18,2.9143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCN1C(=O)C(O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21,MLS000051563-01,18,3.4705,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1,NCGC00099999-01,18,4.5648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1,NCGC00098680-01,18,5.8115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,NCGC00095321-01,18,3.8526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NCc1ccc(Cl)c(Cl)c1)NC(=O)c1nc(Cl)c(N)nc1N,NCGC00093837-01,18,2.4774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NCc1ccc(Cl)c(Cl)c1)NC(=O)c1nc(Cl)c(N)nc1N,NCGC00015373-01,2,2.0556,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1,NCGC00093683-01,18,0.9609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NC(=O)c1nc(Cl)c(N)nc1N)Nc1ccccc1,NCGC00094293-01,18,0.5751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[S+]([O-])(c1ccccc1)N1CCC2(CCN(c3ccccc3)CC2)CC1,NCGC00012955-01,18,3.973,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[S+]([O-])(c1ccccc1)N1CCC2(CCN(c3ccc(-c4ccccc4)cc3)CC2)CC1,NCGC00012107-01,18,5.64,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[S+]([O-])(c1ccccc1)N1CCC2(CC1)CN(c1ccccc1)C2,NCGC00012749-01,18,3.1928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1,NCGC00010864-01,18,2.4911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CN=C(S)Nc3ccc(OC(F)(F)F)cc3)ccc2[nH]1,MLS000724626-01,18,5.2728,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CN=C(S)Nc3ccc(OC(F)(F)F)cc3)ccc2n1C,MLS000724587-01,18,5.2832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2CCc3c(OCC(=O)Nc4cc(C)ccc4C)cccc3C2=O)cc1,MLS000723130-01,18,4.8279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc(OCC(=O)N3CCCc4ccccc43)c2CCN1Cc1ccc(Br)cc1,MLS000723088-01,18,5.0058,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2CCc3c(OCC(=O)Nc4cccc(C)c4C)cccc3C2=O)cc1,MLS000723120-01,18,4.8279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1,MLS000722301-01,18,3.925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(S)=NN=Cc2ccc([N+](=O)[O-])s2)cc1,MLS000595189-01,18,3.6965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1,MLS000722281-01,18,3.6166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c(C)c1,MLS000722360-01,18,3.925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cn1c(=NC(=O)c2cccs2)sc2cc(C(=O)OC)ccc21,MLS000722004-01,18,2.8551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Cn1c(=NC(=O)c2ccc(Cl)s2)sc2cc(C)ccc21,4646491,18,3.6402,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCn1c(=NC(=O)c2cccs2)sc2cccc(OC)c21,MLS000103771-01,18,3.1472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc2ccccc12,MLS000707819-01,18,3.1936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Br)cc1Br)NC(=S)Nc1cccc(CO)c1,MLS000705927-01,18,3.5959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)NC(=S)Nc2ccc(F)cc2)c(Br)c1,MLS000325182-01,18,4.0426,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(C=NNC(=O)c2sccc2C)cc1,MLS000703844-01,18,3.5423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C=NNC(=O)c1sccc1C,MLS000698786-01,18,3.1288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(C=NNC(=O)c2ccc(C)c(C)c2)cc1,MLS000699709-01,18,3.7892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1,MLS000702099-01,18,3.4196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)cc1,MLS000389725-01,18,4.8431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)c1,MLS000537597-01,18,3.7194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1,MLS000537599-01,18,3.9734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3ccccc3)=NN2C(=O)CN2N=NC3C(=O)N(c4cccc(F)c4)C(=O)C32)cc1,MLS000700988-01,18,3.5054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1,MLS000700755-01,18,2.9949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1cc(CCC(=O)NNC(=S)NC(=O)c2ccccc2)cc(C(C)(C)C)c1O,MLS000374472-01,18,4.2555,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1,MLS000569044-01,18,3.1297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(=NNc1ccc(C(C)=O)cc1)c1csc(Nc2ccccc2)n1,MLS000699913-01,18,4.4686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(=NNc1ccccc1)c1csc(Nc2ccc(C)cc2)n1,MLS000532122-01,18,4.5744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(=NNc1ccc(OC)cc1)c1csc(Nc2ccccc2)n1,MLS000532123-01,18,4.2746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(=NNc1ccc(Cl)cc1)c1csc(Nc2ccccc2)n1,MLS000535935-01,18,4.9194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=S)NC(=O)c2nn(CC)cc2Br)cc1,MLS000699397-01,18,2.969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1cc(Br)c(C(=O)NC(=S)Nc2ccc(C(=O)OC)cc2)n1,MLS000700620-01,18,2.5789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1cc(Br)c(C(=O)NC(=S)Nc2c(C)cc(C)cc2[N+](=O)[O-])n1,MLS000701085-01,18,3.3173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C(c3ccccc3)=NN(c3ccccc3)C2C(=O)N1c1ccccc1,MLS000681118-01,18,3.4691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1=NN(c2ccccc2)C2C(=O)N(c3ccccc3Cl)C(=O)C12)c1ccccc1,MLS000588812-01,18,3.9571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1=NN(c2ccccc2)C2C(=O)N(c3cccc(Cl)c3)C(=O)C12)c1ccccc1,MLS000588813-01,18,3.9571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Nc1cc(N2CCNCC2)ccc1[N+](=O)[O-])c1ccccc1,MLS000681078-01,18,3.1775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCOCC2)cc1NC(c1ccccc1)c1ccccc1,MLS000587736-01,18,4.6329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1nnc(NC(=O)Cc2ccc(Br)cc2)s1,MLS000680720-01,18,3.6052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2OC)cc1,MLS000595365-01,18,4.6548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21,MLS000032522-01,18,3.8349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21,MLS000530807-01,18,4.5974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1cnc2cc(NCc3ccc(OC)cc3)ccc21,MLS000539288-01,18,3.6769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1,MLS000595131-01,18,3.4839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCCc2ccccc21)NN=Cc1c(O)ccc2ccccc12,MLS000590824-01,18,3.4483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1,MLS000595074-01,18,4.7155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NCCc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,MLS000590224-01,18,3.3742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CNC(=S)N1c1nc(-c2ccccc2)cs1,MLS000592203-01,18,2.0312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1c1nc(-c2ccccc2)cs1,MLS000563282-01,18,5.2067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1SCC(=O)N1c1nc(-c2ccccc2)cs1,MLS000568237-01,18,2.8247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(N3C(=O)CNC3=S)n2)cc1,MLS000578852-01,18,2.0398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(C)cc3)c(O)cc12,MLS000592172-01,18,4.3444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(F)cc3)c(O)cc12,MLS000585865-01,18,4.1751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12,MLS000587860-01,18,3.7908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)CSc1nc2ccccc2o1,MLS000592021-01,18,3.5282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C2c3ccccc3C=NN21,MLS000592005-01,18,4.7549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C=NN2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1,MLS000592008-01,18,4.4099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1=C[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H](C(=O)c3ccc(Cl)cc3)N2C=C1)c1ccccc1,MLS000592009-01,18,4.7179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1sc(=S)n(C)c1C)c1ccccc1,MLS000591878-01,18,3.2785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NN=Cc2ccc(O)cc2)sc(=S)n1C,MLS000572278-01,18,2.594,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1,MLS000591641-01,18,5.6631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(SC(C(=O)c2ccccc2)c2ccccc2)nc2ccccc12,MLS000578600-01,18,5.6545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(C)nc(SC(C(=O)c3ccccc3)c3ccccc3)nc2c1,MLS000578924-01,18,5.9629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1,MLS000589706-01,18,5.9629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccc([N+](=O)[O-])cc1,MLS000590906-01,18,3.2796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1cccc([N+](=O)[O-])c1,MLS000590905-01,18,3.2796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1,MLS000590908-01,18,3.933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1ccccc1)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1,MLS000590006-01,18,5.3541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1,MLS000589959-01,18,4.2754,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1,MLS000557691-01,18,5.054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1,MLS000560886-01,18,4.2754,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c(C#N)c(N)nc3sc(C(=O)c4ccc(C)cc4)c(N)c23)cc1,MLS000589294-01,18,4.5474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(SCc2ccc(Cl)cc2)nc2nc3c(cc12)CCCC3,MLS000589164-01,18,4.4315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(SCc2ccc(Cl)cc2Cl)nc2nc3c(cc12)CCCC3,1992940,18,5.0849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2nc3c(cc12)CCCC3,MLS000589162-01,18,3.6863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCc2ccccc2C1,MLS000588675-01,18,4.3017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NC(C)C(=O)Oc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)coc3c2)cc1,MLS000588642-01,18,3.949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)C(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)c(C)oc2c1,4602364,18,5.5214,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)C(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1,3758489,18,5.213,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2cc(OC(=O)C(NC(=O)OC(C)(C)C)C(C)C)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1,3695159,18,5.1313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2)n1,MLS000588266-01,18,5.3215,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccccc23)NC(=O)Nc2ccccc2)n1,MLS000331876-01,18,4.2162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)c(OC)c1,MLS000587808-01,18,5.3387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)c2ccc(CN=c3c(O)c(O)c3=NC3CCCCC3)cc2)cc1,MLS000586923-01,18,3.2463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc(CN=c3c(O)c(O)c3=NC3CCCCC3)cc2)c(OC)c1,MLS000522729-01,18,3.5772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(NC(=O)c2ccc(CN=c3c(O)c(O)c3=NC3CCCCC3)cc2)CC1,MLS000586925-01,18,3.6162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N=Cc2[nH]c3ccc(Br)c(Cl)c3c2O)c1,MLS000586006-01,18,5.3484,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN=Cc2[nH]c3ccc(Br)c(Cl)c3c2O)cc1,MLS000521752-01,18,5.2169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(C=NCc2ccc(F)cc2)[nH]c2ccc(Br)c(Cl)c12,MLS000530338-01,18,5.0476,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CN=Cc1[nH]c2ccc(Br)c(Cl)c2c1O,MLS000530341-01,18,4.9171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)N2CCc3ccccc3C2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,MLS000585983-01,18,4.6063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c1,MLS000585433-01,18,2.4778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1ccccc1F,MLS000585410-01,18,3.8484,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1ccccc1,MLS000539114-01,18,3.7093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(NC(=O)C(F)(F)F)c1ccccc1)Nc1nnc(CCc2ccccc2)s1,MLS000585133-01,18,4.0717,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@H]1n1nnc([N+](=O)[O-])n1,MLS000584936-01,18,3.0241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C=C(c2ccccc2)CC(c2cccs2)C1n1cnc([N+](=O)[O-])c1,MLS000533765-01,18,4.2341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1,MLS000546690-01,18,4.2341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@H]1n1nnc([N+](=O)[O-])n1,MLS000584935-01,18,3.0241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1ncccc1C(=O)Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OC,MLS000584460-01,18,4.727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2ncccc2C(=O)Oc2cccc([N+](=O)[O-])c2)cc1Cl,MLS000584430-01,18,4.9016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1cccc(NC(=O)CSc2ncccc2C(=O)Oc2cccc([N+](=O)[O-])c2)c1,MLS000584456-01,18,4.6617,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1ncccc1C(=O)Oc1ccccc1Cl)C(=O)Nc1ccccc1OC,NCGC00140045-01,18,5.4722,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1ccc(SCC(=O)NCc2ccccc2Cl)c([N+](=O)[O-])c1,MLS000583866-01,18,4.9176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-],MLS000394464-01,18,3.1532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)CSc1ccc(C(=O)Nc2ccccc2OC)cc1[N+](=O)[O-],MLS000583870-01,18,4.2728,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)C(=O)NCc1ccccc1Cl,MLS000665449-01,18,2.6035,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ncc(Cl)c(C(=O)Nc2ccccc2Cl)n1,MLS000583770-01,18,3.7576,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ncc(Cl)c(C(=O)Nc2cccc3ccccc23)n1,MLS000418571-01,18,4.2574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ncc(Cl)c(C(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)n1,MLS000538576-01,18,4.7612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,MLS000583696-01,18,3.1598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=S)NC(=O)c2ccco2)nc1C,MLS000583652-01,18,2.348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N/C(SCc2ccccc2C)=C(/C#N)C(=O)NCc2cccs2)c1,MLS000583589-01,18,5.462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CS/C(Nc2ccccc2C)=C(\C#N)C(=O)NCc2ccco2)c(C)c1,MLS000520879-01,18,5.6017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCc2cccs2)c1,MLS000583587-01,18,5.0618,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N/C(SCc2ccccc2F)=C(/C#N)C(=O)NCc2cccs2)c1,MLS000583588-01,18,5.2927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1,MLS000582324-01,18,3.8742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1,MLS000567000-01,18,3.6282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(SCc3nc(-c4cccs4)no3)n(-c3ccccc3)c(=O)c2c1C,MLS000582112-01,18,5.4678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(SCc3nnc(-c4cccs4)o3)n(C3CCCC3)c(=O)c2c1C,MLS000057713-01,18,5.5937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C(=O)OC(C)C)c1C,MLS000581620-01,18,3.3314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(-c2c[nH]c(SC(c3ccccc3)c3ccccc3)n2)cc1,MLS000581118-01,18,5.8666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(CSc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)c(C)c1,MLS000572987-01,18,5.2025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1,MLS000580093-01,18,4.2858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(-c2c[nH]c(SCc3ccccc3Cl)n2)cc1,MLS000581111-01,18,4.9306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(O)c(COC(=O)c3cccs3)cc2c1,MLS000580970-01,18,3.6673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(O)c(COC(=O)c3ccco3)cc2c1,MLS000551576-01,18,2.899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(COC(=O)c3ccco3)c(O)nc2c1,MLS000551603-01,18,3.1988,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)N1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1,MLS000580505-01,18,5.2557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)C1C2CCC3C(CCC21)C3(Cl)Cl,MLS000580253-01,18,5.1346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1Cl)C1C2CCC3C(CCC21)C3(Cl)Cl,MLS000566906-01,18,5.1346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)C1C2CCC3C(CCC21)C3(Cl)Cl,MLS000573302-01,18,5.1346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC1OCCc2ccccc21)c1ccc(NC(=O)c2cccc(Br)c2)cc1,MLS000579829-01,18,4.7452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC1OCCc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1,MLS000585661-01,18,4.6361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1,MLS000579151-01,18,6.1583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(SC(=NCc2ccc3c(c2)OCO3)Nc2ccccc2)C(=O)N1c1ccccc1,MLS000533265-01,18,4.4487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1SC(SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1ccccc1,MLS000589570-01,18,6.3234,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2C(=O)SC(SC(=Nc3ccccc3)Nc3ccccc3)C2=O)c1,MLS000589571-01,18,6.6318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C/C=C/c1ccccc1)=NNC(=O)CNc1ccccc1C,MLS000578706-01,18,4.1686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2cc(C(=O)N3CCCc4ccccc43)c3ccccc3n2)c1,MLS000578572-01,18,5.8032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(CNc2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1F,MLS000578520-01,18,5.6256,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(NCc2ccccc2OCc2ccccc2F)cc1,NCGC00101275-01,18,4.7224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)OCC(=O)Nc2nccs2)c1,MLS000577059-01,18,2.247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccccc1Cl)Nc1nccs1,MLS000558322-01,18,2.592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)c2ccccc2C1=O,MLS000576598-01,18,0.61,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)C(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1,MLS000573640-01,18,3.3956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccs1)c1cccc2cc[nH]c12,MLS000576540-01,18,2.9933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1,MLS000575897-01,18,5.4419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1,MLS000572870-01,18,5.3804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1,MLS000577423-01,18,5.086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1,NCGC00116815-01,18,5.5997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)/C=C/c2ccccc2)cc1,MLS000575894-01,18,4.6984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-],MLS000575645-01,18,5.0486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OC,MLS000562709-01,18,4.4762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1,MLS000564590-01,18,4.6499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1Br,MLS000575099-01,18,4.5974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)C(c1ccccc1)c1ccccc1)CCCC2,MLS000534443-01,18,5.3446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2,MLS000575040-01,18,5.1238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)c2ccc(OC)c(Br)c2)cc1Br,MLS000576474-01,18,4.4598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1,MLS000574218-01,18,4.778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(Cl)c(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1,MLS000574212-01,18,4.9697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)s1,MLS000590864-01,18,4.778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1,MLS000574176-01,18,3.8451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1,MLS000572685-01,18,4.5529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1[N+](=O)[O-],MLS000575317-01,18,2.9673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2CN2C(=O)c3ccccc3C2=O)cc1,MLS000575807-01,18,3.5793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C(O)=C/C=Nc2ccc([N+](=O)[O-])cc2Br)cc1,MLS000574060-01,18,4.9671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc([N+](=O)[O-])ccc1N=C/C=C(\O)c1cccs1,MLS000537797-01,18,3.9663,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1cc([N+](=O)[O-])ccc1N=C/C=C(\O)c1ccc2c(c1)OCO2,MLS000572318-01,18,3.6666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(N=CC=C(O)c2ccccc2)c([N+](=O)[O-])c1,MLS000577023-01,18,4.2949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C)c1ccccc1,MLS000573284-01,18,5.4516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)c1ccccc1,MLS000577132-01,18,5.4602,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc2ccccc2c1Nc1ccc2c(c1)OCCO2,MLS000573233-01,18,3.9263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)O,MLS000572604-01,18,1.548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2ccccc2c1)/C(=C/c1cccc(Br)c1)NC(=O)c1ccco1,MLS000585113-01,18,5.6049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc([N+](=O)[O-])cc1)C1C(c2ccccc2)=C1c1ccccc1,MLS000572557-01,18,4.7741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)C(C=C(Cl)Cl)C1C(=O)Nc1ccc([N+](=O)[O-])cc1,3106340,18,4.1245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1[N+](=O)[O-])C1C(c2ccccc2)=C1c1ccccc1,MLS000551194-01,18,4.7741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cn1)c1ccc(-c2cc(Cl)ccc2Cl)o1,MLS000572478-01,18,5.5541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)c(C)c1,MLS000572051-01,18,4.409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1,MLS000535934-01,18,4.7491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1,MLS000570641-01,18,2.8911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1,MLS000572041-01,18,4.359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Cl)cc1,MLS000571791-01,18,5.2101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1,MLS000571278-01,18,4.0428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12,MLS000574254-01,18,4.2502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1C=NNC(=O)c1sc2cc(Cl)ccc2c1Cl,MLS000570588-01,18,4.3105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(C2Nc3cccc4cccc(c34)N2)c1,MLS000570470-01,18,4.2842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccccc1C1Nc2cccc3cccc(c23)N1,MLS000552395-01,18,4.2842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(C2Nc3cccc4cccc(c34)N2)cc1,MLS000553018-01,18,4.2842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(Cl)c(C2Nc3cccc4cccc(c34)N2)c1,MLS000560948-01,18,4.9376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NC(=O)c2cc3c(s2)CCCC3)n1,MLS000569713-01,18,3.6441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1,MLS000569152-01,18,4.154,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(S)=NC(C)C)c1ccc(-n2ccnc2)cc1,MLS000568461-01,18,2.8801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(-n2ccnc2)cc1,MLS000389948-01,18,5.0152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1cccc(Cl)c1)c1ccc(-n2ccnc2)cc1,MLS000390093-01,18,4.3618,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C(C)c3ccc(-n4ccnc4)cc3)cc2)cc1,MLS000536110-01,18,4.2258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nnc(SCn3nnc4ccccc4c3=O)s2)cc1,MLS000567820-01,18,3.4448,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nnn1CSc1nnc2sc3ccccc3n12,MLS000056046-01,18,2.7987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(NC(=O)CSc3n[nH]c(N)n3)n(-c3ccccc3)n2)cc1,MLS000567630-01,18,3.2788,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Oc2ccc(NC(=O)CSc3n[nH]c(N)n3)cc2)cc1,MLS000417691-01,18,3.2184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c(C(=O)CSc2nnc(Nc3ccccc3)s2)c(N)n(Cc2ccccc2)c1=O,MLS000567400-01,18,2.7476,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c(C(=O)CN2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O,MLS000056405-01,18,1.813,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c(C(=O)CN2CCc3ccccc32)c(N)n(Cc2ccccc2)c1=O,MLS000335924-01,18,1.4229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(C(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,MLS000567779-01,18,4.3044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1ccccc1,MLS000566857-01,18,5.608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1ccccc1F,MLS000552895-01,18,5.7471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1cccc(Cl)c1,MLS000562414-01,18,5.0467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1cccc(F)c1F,MLS000564427-01,18,5.8862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NC(=O)c2ccco2)c(C(=O)c2ccc(Cl)cc2)c1C,MLS000566586-01,18,5.0946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccccc1,MLS000566504-01,18,5.6398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1,MLS000543517-01,18,4.1124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1,MLS000565128-01,18,5.7013,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,MLS000566357-01,18,4.2491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2cc(-c3ccccc3)sc2n1,MLS000566197-01,18,4.1776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccccc1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1,MLS000081760-01,18,3.8692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCC(C)C5)CC2)cc1,MLS000123287-01,18,3.9438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C)s3)cc2)n1,MLS000565987-01,18,2.9014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3ccc(Br)s3)cc2)n1,NCGC00036426-01,2,4.3528,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3ccc(Br)s3)cc2)n1,MLS000097412-01,18,4.3528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(C(c2cccs2)N2CCN(c3ccccc3)CC2)ccc2cccnc12,MLS000565394-01,18,4.9135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1,NCGC00067094-01,2,2.7012,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+OCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1,MLS000043711-01,18,2.7012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(C)cc(-c2csc(N)n2)c1C,MLS000565158-01,18,3.4184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2csc(N)n2)c(C)n1C,MLS000566785-01,18,2.3476,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(C)cc(-c2csc(N)n2)c1C,MLS000567187-01,18,3.6424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2c(-c3cccs3)csc2ncn1-n1cccc1,MLS000565045-01,18,3.2994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc(-c2cccs2)nc2scc(-c3cccs3)c12,MLS000065385-01,18,4.7065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2cnc3scc(-c4cccs4)c3c2=O)cc1,MLS000528080-01,18,4.4841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2c(-c3cccs3)csc2ncn1-c1ccc(Br)cc1,MLS000552776-01,18,4.9382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(C(NC(=O)OCc2ccccc2)/C(F)=C/[C@@H](C)C(=O)NCc2ccc(-c3ccccc3)cc2)cc1,MLS000563620-01,18,6.9136,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(C(NC(=O)OCc2ccccc2)/C(C)=C/[C@@H](C)C(=O)NCc2ccc(-c3ccccc3)cc2)cc1,MLS000563580-01,18,7.0065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(C(NC(=O)OCc2ccccc2)/C(F)=C/[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1,NCGC00092104-01,18,5.5775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1,MLS000563463-01,18,-0.3084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1cccc(Cl)c1,MLS000562787-01,18,5.52,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Oc2cc(NC(=O)CCCn3nc([N+](=O)[O-])c(Cl)c3C)cc([N+](=O)[O-])c2)cc1,MLS000580659-01,18,5.1809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1,MLS000580660-01,18,4.8725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)c1,MLS000562728-01,18,5.2049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3cccnc3)cc2)c1,MLS000564001-01,18,4.5384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccco2)cc1,MLS000561322-01,18,5.0879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2,MLS000560425-01,18,3.2621,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-],MLS000334176-01,18,3.3038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-],MLS000335012-01,18,3.3281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)N1CCCc2ccccc21,MLS000559815-01,18,5.723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1,MLS000526755-01,18,6.024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br)N1CCCc2ccccc21,MLS000559810-01,18,5.8321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1)N1CCCc2ccccc21,MLS000582004-01,18,5.3389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1,MLS000559803-01,18,5.254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(Cl)ccc1[N+](=O)[O-],MLS000558661-01,18,4.6143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1,MLS000553428-01,18,5.3595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1,MLS000557726-01,18,5.1767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1,MLS000577043-01,18,4.9227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1,MLS000558454-01,18,3.2331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,MLS000103386-01,18,2.3614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2cccs2)n1,MLS000558064-01,18,5.1891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(-c2nc(-c3cccs3)no2)cc1,NCGC00084986-01,2,3.2517,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2ccc(-c3noc(-c4cccs4)n3)c(OC)n2)cc1,MLS000041473-01,18,4.5443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2)n1,MLS000082769-01,18,4.4742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1,MLS000556507-01,18,5.0001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,MLS000104976-01,18,3.3334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=c2sc3n(c2=O)CN(c2cccc(Br)c2)CN=3)o1,MLS000556233-01,18,2.4573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(=Cc2ccccn2)sc2n1CN(c1ccccc1)CN=2,MLS000027609-01,18,1.1884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CN=c3sc(=Cc4ccncc4)c(=O)n3C2)c1,MLS000036649-01,18,1.4968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=c2sc3n(c2=O)CN(c2ccc(Br)cc2)CN=3)o1,MLS000077620-01,18,2.4573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)C(c1c[nH]c2ccccc12)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1,MLS000556161-01,18,5.3081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,NCGC00025933-01,2,3.8069,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1,MLS000526240-01,18,4.35,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)NC(=O)C(c1c[nH]c2ccccc12)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1F,MLS000557137-01,18,5.3031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2c(C)cccc2C)cc1,MLS000555748-01,18,5.0871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2c(C)cc(C)cc2C)cc1,MLS000555687-01,18,5.3955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2C)cc1,MLS000555688-01,18,5.0871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)cc1,MLS000555690-01,18,4.7786,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCc1ccccc1-2,MLS000555574-01,18,5.5961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)C(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C,MLS000555012-01,18,4.934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C,MLS000120807-01,18,4.688,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C3CC3)c3ccccc32)S1,MLS000525785-01,18,4.2979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CC(C)C)c3ccccc32)S1,MLS000531991-01,18,4.934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1nc(-c2c[nH]c3ccccc23)cs1,MLS000554792-01,18,3.3331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1,MLS000574098-01,18,5.7209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)c(O)c1,MLS000705477-01,18,4.3696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)NC(N=C(S)Nc1ccc(C(=O)O)cc1)C(Cl)(Cl)Cl,MLS000554600-01,18,4.6084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2c(c1C(=O)c1ccc(Cl)cc1)C(=O)C(=O)c1ccccc1-2,MLS000554107-01,18,4.5184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(=O)c2c(C(=O)c3ccccc3)coc2-c2ccccc21,MLS000532159-01,18,3.5566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc1-2,MLS000554105-01,18,3.865,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)c2c(C)oc3c2C(=O)C(=O)c2ccccc2-3)cc1,MLS000554106-01,18,4.1734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1,MLS000553634-01,18,0.9778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(-n2nc3ccccc3n2)c1,MLS000553583-01,18,3.7326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(-n2nc3ccccc3n2)c1,MLS000546147-01,18,3.1984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(-n2nc3ccccc3n2)c1,MLS000582229-01,18,3.1984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)C1c1cccnc1,MLS000552639-01,18,4.4325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)C1c1ccc(OC)cc1,MLS000548122-01,18,4.2499,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)C1c1ccccc1,MLS000552600-01,18,3.6917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(C#N)c1C,MLS000552329-01,18,5.1424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1cccs1)N1CN(Cc2ccc(Cl)cc2)c2nc3ccccc3nc21,MLS000551656-01,18,4.5177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1cccs1)N1CN(Cc2cccs2)c2nc3ccccc3nc21,MLS000040887-01,18,3.9258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1cccs1)N1CN(Cc2ccccc2)c2nc3ccccc3nc21,MLS000551639-01,18,3.8643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2CN(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1,MLS000551640-01,18,4.1727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(O)nc(SC/C=C/c2ccccc2)n1,MLS000551584-01,18,2.5699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(O)nc(SCc2nc3ccccc3n2Cc2ccccc2)n1,MLS000112141-01,18,3.4547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(NS(=O)(=O)c2cccs2)=C(N2CCN(c3ccccc3)CC2)C(=O)c2ccccc21,MLS000551528-01,18,3.1394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCCN1CCN(c2ccccc2)CC1,3243494,18,1.9894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(NS(=O)(=O)c2cccs2)=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)c2ccccc21,MLS000551541-01,18,4.1582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2-3)CC1,MLS000551434-01,18,3.7348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)CC(C)(C)CC3=O)cc2)CC1,MLS000704947-01,18,2.8333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1c(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)sc2c1CCCC2,MLS000551129-01,18,5.031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2,NCGC00039073-01,2,1.195,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1Cn1cc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)cn1,MLS000555676-01,18,5.545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNC2=NC(=O)C(c3ccccc3)S2)ccc1O,MLS000550960-01,18,2.695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNC(=O)C2c3ccccc3Oc3ccccc32)ccc1O,MLS000541050-01,18,3.7887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC2=NC(=O)C(c3ccccc3)S2)c(OC)c1,MLS000556430-01,18,2.998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(c2ccccc2)=NN1c1ccccc1,MLS000550558-01,18,5.6893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSC1=N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)S1,MLS000574230-01,18,4.5782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1nc2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2nc1-c1ccccc1,MLS000578341-01,18,2.8941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1,MLS000549236-01,18,4.6217,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc(SC)nc1Sc1cc(Cl)ccc1Cl,MLS000540573-01,18,4.8332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc(SC)nc1Oc1cccc(NC(=O)c2ccc(C)cc2)c1,MLS000546545-01,18,4.7282,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1,MLS000549237-01,18,4.2767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NC1c2cccc3cccc(c23)C1Sc1ncccn1)c1ccccc1,MLS000548754-01,18,4.4964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccccc1)N1CCN(C2c3cccc4cccc(c34)C2NS(=O)(=O)c2ccccc2)CC1,MLS000530658-01,18,4.3721,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NC1c2cccc3cccc(c23)C1Sc1ncccn1)c1ccc(Cl)cc1,MLS000547720-01,18,5.1498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NC2c3cccc4cccc(c34)C2Sc2ncccn2)cc1,MLS000548669-01,18,4.8048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N=C(S)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2nc1O,MLS000548309-01,18,5.7785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1N=C(S)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2nc1O,MLS000554616-01,18,5.3838,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCSc1nnc(-c2ccc(NC(=O)CCc3ccccc3)cc2)n1C,MLS000547535-01,18,4.9456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1,MLS000052663-01,18,3.5268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2nc(SCc3ccc(F)cc3)n(Cc3cccs3)c(=N)c2cc1OC,MLS000546968-01,18,5.0742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2c(SCc3ccccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1,1482682,18,5.1906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl,MLS000546901-01,18,5.844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2nc(SCc3ccc(C(F)(F)F)cc3)n(Cc3cccs3)c(=N)c2cc1OC,MLS000546967-01,18,5.9539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nc(N)c2c(C)c(C)sc2n1,MLS000546703-01,18,3.0023,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(C)CSc1nc(N)c2c(C)c(C)sc2n1,MLS000035824-01,18,3.5585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nc(N)c2c(C)c(C)sc2n1,MLS000111347-01,18,3.1684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(S)=NN=Cc1ccccc1OCc1cccc(Cl)c1,MLS000546103-01,18,3.4974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)n3cnc4ccccc43)c3ccccc3n2)cc1C,MLS000544678-01,18,5.5568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(Br)s1,MLS000544174-01,18,4.318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(C)s1,MLS000324634-01,18,4.5319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C1C(C#N)=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CC(C)(C)C2,MLS000543545-01,18,6.051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C1C(C#N)=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CC(C)(C)C2,MLS000543543-01,18,6.0265,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C1C(C#N)=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CCC2,MLS000543544-01,18,5.3904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C(C#N)=C3NC(=O)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)cc1,MLS000544527-01,18,5.7512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccccc1Cl,MLS000543297-01,18,5.1091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1Cl,MLS000543294-01,18,5.7625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1c(Cl)cccc1Cl,MLS000543295-01,18,5.7625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1,MLS000543296-01,18,5.1091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)c(C)c1,MLS000540800-01,18,4.4673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1F)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,MLS000540668-01,18,4.5753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Oc2cccc(NC(=O)c3cccs3)c2)cc1S(=O)(=O)N1CCOCC1,MLS000539708-01,18,3.5489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccc(Cl)cc2Cl)o1,MLS000539577-01,18,6.4987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NN=C(N)COc1ccc(Cl)cc1Cl,MLS000539576-01,18,4.9507,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccccc2)o1,MLS000539583-01,18,5.1919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccc(Cl)cc2)o1,MLS000539586-01,18,5.8453,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Cl)cc1,MLS000538907-01,18,6.338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1nc(O)c2ccccc2n1)OCc1ccc(-c2ccccc2)cc1,MLS000416525-01,18,4.6784,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(COC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1,MLS000538326-01,18,5.8613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)NC1c1cc(C)ccc1C,MLS000538626-01,18,3.5728,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,MLS000052003-01,18,3.5244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(CNCCc2ccc(Cl)cc2)NC(=O)NC1c1ccc2c(c1)OCO2,MLS000052845-01,18,3.0721,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,MLS000052897-01,18,3.1471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCCOc1ccc(OC)cc1,MLS000538368-01,18,4.6207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCC3,MLS000538242-01,18,1.8315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2c3c(sc2n(CCN2CCCC2)c(=O)n1Cc1ccco1)CCCCC3,MLS000042561-01,18,3.2307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC1CCC(C(=O)Nc2ccccc2)CC1,MLS000538034-01,18,4.6217,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCC1CCC(C(=O)Nn2c(C)nc3ccccc3c2=O)CC1,MLS000519009-01,18,4.5518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC1CCC(C(=O)NNc2cc(=O)n(C)c(=O)n2C)CC1,MLS000724726-01,18,1.5237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(CCn2c3ccccc3c3nnc(SCc4ccc5nonc5c4)nc32)cc1,MLS000537952-01,18,5.0507,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21,MLS000050814-01,18,3.345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1C,MLS000537587-01,18,4.3264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)N1Cc1ccccc1,MLS000536722-01,18,6.0597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1ccco1,3236880,18,5.0129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(c2nn(-c3ccccc3)cc2-c2cc3ccccc3oc2=O)N1Cc1ccco1,2998250,18,5.0129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1ccccc1,2874806,18,5.4199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C2\SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)ccc1O,MLS000536105-01,18,4.6963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2ccccn2)SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl,2320029,18,4.3771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1OC,1410264,18,4.3222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl,MLS000536095-01,18,5.1212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Nc2ccc(C)c(C)c2)n1,MLS000535466-01,18,3.6509,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Nc2ccc(C#N)cc2)n1,MLS000116487-01,18,2.9057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)n(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc12,MLS000535320-01,18,4.5669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2cc(-c3ccccc3)sc2ncn1-n1cccc1,MLS000535002-01,18,3.2379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2cnc3sc(-c4ccccc4)cc3c2=O)cc1,MLS000568273-01,18,4.1228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2cn3cccnc3n2)cc1Cl,MLS000535000-01,18,3.7031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1,MLS000045950-01,18,2.3713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(N2CCN(c3ccc(OC)cc3)CC2)n1,MLS000534263-01,18,4.0111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1nc(Nc2cc(Cl)ccc2OC)nc(OCC)n1,MLS000527819-01,18,3.0746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2nc(Cl)nc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1,MLS000698645-01,18,4.0025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(c3nc(Cl)nc(Nc4ccc(F)cc4)n3)CC2)cc1,MLS000699315-01,18,3.7429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2s1,MLS000533289-01,18,4.4876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=S)N/C1=C\c1cccc([N+](=O)[O-])c1,MLS000532211-01,18,0.94,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1,MLS000408929-01,18,3.8746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1,MLS000544125-01,18,2.9177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=S)N/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1,MLS000572492-01,18,4.4045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,MLS000531387-01,18,4.5202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1N=C(N)Nc1nc(O)cc(CSc2ccc(C)cc2)n1,MLS000531360-01,18,4.5032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N=C(N)Nc1nc(O)cc(CSc2ccc(C)cc2)n1,MLS000078736-01,18,3.8498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=N)Nc2nc(O)cc(CSc3ccc(C)cc3)n2)cc1,MLS000531682-01,18,4.5501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N=C(N)Nc1nc(O)cc(CSc2nc3ccccc3s2)n1,MLS000582912-01,18,4.1511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCSc1nc(O)c(Cc2ccccc2)c(O)n1,MLS000530301-01,18,3.3708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1c(O)nc(SCc2ccccc2)nc1O,MLS000074196-01,18,3.3035,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)Sc1nc(O)c(Cc2ccccc2)c(O)n1,MLS000530302-01,18,3.3692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2ccc(C=NNc3nncc(-c4ccccc4)n3)o2)cc1,MLS000529256-01,18,4.898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1cnnc(NN=Cc2ccc(-c3cccc(Br)c3)o2)n1,MLS000546734-01,18,5.0157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(CN(Cc2ccccc2)C(c2cccs2)c2nnnn2C2CCCCC2)cc1,MLS000529135-01,18,6.1707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(C(c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3ccco3)c(O)nc2c1,MLS000072453-01,18,5.7352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1csc(C(c2nnnn2C2CCCCC2)N2CCCC3(CCCCC3)C2)c1,MLS000122386-01,18,5.3755,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCCC1,MLS000528849-01,18,3.1822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)c1cc2c(ccc3ccccc32)oc1=N,657504,18,2.4251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1,MLS000079990-01,18,2.3338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(OC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2ccccc2s1,MLS000720427-01,18,5.4739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12,MLS000527828-01,18,3.4924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc2ccn(CC(=O)N3CCCc4ccccc43)c2c1,MLS000065048-01,18,3.4924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc(-c2cccs2)nc2sc3c(c12)CCCC3,MLS000526379-01,18,3.8568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nn1c(-c2cccs2)nc2sc3c(c2c1=O)CCCC3,MLS000054555-01,18,2.7791,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc(-c2cc3ccccc3o2)nc2sc3c(c12)CCCC3,MLS000112646-01,18,4.5415,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(c3nc4ccccc4c(=O)n3Cc3ccccc3)CC2)c1,MLS000522491-01,18,4.3882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(c3cnn(-c4nc5ccccc5s4)c(=O)c3Cl)CC2)c1,MLS000331816-01,18,4.439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-n2c(N3CCN(c4cccc(C)c4C)CC3)nc3ccccc3c2=O)cc1,NCGC00109163-01,18,4.8915,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NCCc1ccc(Cl)cc1,MLS000520095-01,18,2.6244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(F)cc1)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2,MLS000418013-01,18,4.8622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C/C(=O)OCC(=O)c2c[nH]c3ccccc23)c1OC,MLS000417574-01,18,3.6244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NN=Cc2ccccc2O)c1,MLS000417407-01,18,3.1466,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1,MLS000417363-01,18,2.9263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12,MLS000334551-01,18,4.7121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Nc1ccc2c(COC(=O)CNS(=O)(=O)c3cccc(Br)c3)cc(=O)oc2c1,MLS000409294-01,18,3.1456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCN(c2ccc(C(=O)OCn3nnc4ccccc4c3=O)cc2[N+](=O)[O-])C1,MLS000417194-01,18,2.7505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CC(C)CN(c2ccc(C(=O)OCC(=O)NC3CCCc4ccccc43)cc2[N+](=O)[O-])C1,MLS000567343-01,18,4.4277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N=Nc1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(O)cc1,MLS000416818-01,18,5.0249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN=C(S)N=Nc1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12,MLS000408870-01,18,5.438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)/C=C/c1ccccc1)N=Nc1c(O)n(Cc2ccccc2)c2ccccc12,MLS000587441-01,18,4.8351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)Cc1ccccc1)N=Nc1c(O)n(Cc2ccc3c(c2)OCO3)c2ccccc12,MLS000587449-01,18,4.0931,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(C(=O)COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O)C1CCCCC1,MLS000416724-01,18,4.0926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C(=O)COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1O)C1CCCCC1,MLS000394163-01,18,3.7025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CCc1ccccc1)NC(=O)COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O,MLS000401588-01,18,4.0489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1cc(NC(S)=NCCN2CCOCC2)ccc1N1CCOCC1,MLS000409155-01,18,2.3625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1cccc(C(=O)OC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1,MLS000409061-01,18,5.9616,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(C(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)cc([N+](=O)[O-])c1,MLS000409024-01,18,2.9092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O,MLS000335343-01,18,3.5998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O,MLS000375418-01,18,3.8081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)ccc1[N+](=O)[O-],MLS000391446-01,18,3.431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Br)c(NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(Br)c1,MLS000409014-01,18,5.4974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nn2-c2cccc(Cl)c2)c1,MLS000402283-01,18,4.7568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(NN=C(Cc2nc3ccccc3[nH]2)c2ccccc2)c1,MLS000402203-01,18,5.2752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(C(Cc2nc3ccccc3[nH]2)=NNc2ccccc2)c1,MLS000374846-01,18,5.2752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCCNN=C(Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1,MLS000565904-01,18,3.6664,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NCC(Nc1ccccc1)c1ccccc1)c1ccc(Cl)cc1,MLS000401574-01,18,4.4717,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1,NCGC00114760-01,18,4.1353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1,NCGC00114764-01,18,4.4803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1,MLS000394901-01,18,4.6912,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c(OC)c1,MLS000374956-01,18,4.6912,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2nccs2)c1=O,MLS000394858-01,18,2.2414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1,MLS000374571-01,18,3.6076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)c1,MLS000374572-01,18,3.6076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc(C(=O)c2ccccc2O)cn(-c2nccs2)c1=O,MLS000393346-01,18,2.1023,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1O,MLS000394760-01,18,4.4061,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1,MLS000394293-01,18,4.7005,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1O,MLS000394314-01,18,4.4147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc(O)c2c1C,MLS000393756-01,18,3.8791,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2nc(O)c3c(C)c(C)sc3n2)c1,MLS000374662-01,18,4.5859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(CSc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)nc(O)c2c1C,MLS000409206-01,18,5.233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-],MLS000393445-01,18,4.9359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-],9642771,18,4.6873,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1,MLS000393189-01,18,4.157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)CC2c2ccco2)cc1C,MLS000393889-01,18,3.7492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1)c1ccccc1O,MLS000570374-01,18,4.1733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)COC(=O)c2cccnc2O)c(C)n1-c1ccc(Br)cc1,MLS000393103-01,18,3.9969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccnc3O)c2C)cc1C,MLS000416793-01,18,3.8513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NN1CCN(c2ccccn2)CC1)=C\c1ccccc1,MLS000392325-01,18,3.2929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCc4ccccc43)c2C1,MLS000392131-01,18,4.1057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(S)=NN=C2CCCCc3ccccc32)c1,MLS000391198-01,18,4.5236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(S)=NN=C2CCCCc3ccccc32)c1,MLS000375187-01,18,5.1318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(S)=NN=C2CCCCc3ccccc32)c1,MLS000388542-01,18,4.8234,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(S)=NN=C2CCCc3c(C)cc(C)cc32)cc1,MLS000570076-01,18,4.7503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC(C)c2ccccc2)cc1,MLS000390967-01,18,3.0228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(CC)c1NC(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1,MLS000389966-01,18,3.9089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1,MLS000390006-01,18,3.1152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cccc2C)cc1,MLS000390848-01,18,3.4009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccccc1,MLS000390825-01,18,2.4676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NCc1ccccc1,MLS000390833-01,18,3.5782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc1,MLS000390655-01,18,3.5815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CC(C(=O)Nc3nnc(SCC(=O)c4ccccc4)s3)CC2=O)cc1,MLS000724916-01,18,3.5133,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC1=NN=C(c2ccccc2F)CS1,MLS000390573-01,18,4.3615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(F)c(C2=NN=C(Nc3ccccc3F)SC2)c1,MLS000390434-01,18,4.0229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(NC2=NN=C(c3cc(F)ccc3F)CS2)cc1,MLS000390436-01,18,4.0229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1=NCCS1)c1sc2cc(F)ccc2c1Cl,MLS000389777-01,18,3.5264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1=NCCS1)c1sc2cc(Cl)cc(Cl)c2c1Cl,MLS000336202-01,18,4.6941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(C(=O)c2sc3cc(F)ccc3c2Cl)n1,MLS000580006-01,18,4.1956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnnn1-c1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1,MLS000389247-01,18,1.7772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2c[nH]c3ccccc23)c1,MLS000388872-01,18,5.888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCC2,MLS000388756-01,18,3.8358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)n1c(O)c(N=NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21,MLS000374758-01,18,5.7142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1,MLS000336741-01,18,4.6599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(O)c(N=NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21,MLS000339548-01,18,5.9334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c(Cl)cc1Cl,MLS000374742-01,18,3.7386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CNS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl,MLS000572117-01,18,2.4001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(Nc2ccccc2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc21,MLS000374486-01,18,4.1184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1,MLS000374424-01,18,4.257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)C(OC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc2)c1,MLS000339624-01,18,5.0943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2C)c(C)c1,MLS000339474-01,18,5.2037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OC(C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1,MLS000393493-01,18,5.1271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(F)cc1)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1,MLS000394010-01,18,5.2972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(Cl)c1C=NNS(=O)(=O)c1ccc(Br)cc1,MLS000336695-01,18,3.909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1,MLS000409143-01,18,4.4603,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2ccccc2c1C1=NN=C(Nc2ccc(F)cc2)SC1,MLS000335242-01,18,4.5344,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC2=NN=C(c3c(C)[nH]c4ccccc34)CS2)cc1,MLS000334422-01,18,4.8257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC2=NN=C(c3c(C)[nH]c4ccccc34)CS2)c1,MLS000335633-01,18,4.7037,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(-c2csc(NC(=O)COC(=O)c3ccc4c(c3)OCO4)n2)c(C)c1,MLS000335026-01,18,4.2596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1,MLS000334946-01,18,3.8124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1,MLS000334687-01,18,5.6566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc3nc(-c4cccnc4)nc(Cl)c23)cc1OC,2566116,18,5.0909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc3nc(-c4cccnc4)nc(N4CCC(C(N)=O)CC4)c23)cc1OC,2548159,18,4.1392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)C1,MLS000394554-01,18,5.6566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccccc1-n1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O,MLS000334623-01,18,5.1861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2cc(Cl)ccc2c1=O,MLS000394441-01,18,4.3829,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)NCc1ccco1,MLS000334579-01,18,2.0104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C=c1sc(=Cc2ccccc2C)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2,MLS000336063-01,18,1.4357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCc1ccco1,MLS000583125-01,18,5.0946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(CN2CC=C(c3ccccc3)CC2)c2c(ccc3ccccc32)o1,MLS000334537-01,18,5.2355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1,MLS000388594-01,18,4.6447,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cc2ccccc2nc1Cl)[C@H]1C[C@@H]1c1ccccc1,MLS000332021-01,18,4.142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1,MLS000553759-01,18,5.2717,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(-c3ccccc3)nc(O)c2C#N)cc1,MLS000327881-01,18,3.3965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(O)nc(N2CCCCCC2)nc1-c1ccccc1,MLS000062362-01,18,3.1013,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(-c3cccc(C)c3)nc(Cl)c2C#N)cc1,MLS000327816-01,18,4.6527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(O)nc(-c2ccccc2)nc1-c1ccccc1,MLS000327870-01,18,3.3879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2cc(COc3ccc4ccccc4c3)no2)cc1,MLS000326640-01,18,5.7272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1-c1cc(COc2ccc3ccccc3c2)no1,MLS000326562-01,18,5.7272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2ccnc(Oc3ccc4ccccc4c3)n2)cc1,MLS000326855-01,18,5.7425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2nnnc2/C=C\Nc2ccccc2C(=O)c2ccccc2)cc1,MLS000325441-01,18,3.9847,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccc(C)cc1,MLS000325451-01,18,4.0809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccccc1)c1ccccc1N/C=C/c1nnnn1-c1ccccc1,MLS000544040-01,18,3.9761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cc2c(cc1N/C=C\c1nnnn1-c1ccc(Br)cc1)OCO2,MLS000546028-01,18,3.4389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1,MLS000123917-01,18,4.5928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc(-c3ccncc3)no2)CC1,MLS000067501-01,18,3.8531,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1,MLS000120957-01,18,3.902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(N2CCN(C(c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1,MLS000068424-01,18,4.0163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cc1F)C1CCN(c2nnc(-n3cccc3)s2)CC1,MLS000119693-01,18,4.0855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCCN1CCc2ccccc2C1)C1CCN(c2nnc(-n3cccc3)s2)CC1,5308248,18,3.1098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCOCC1,MLS000119705-01,18,1.404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1,MLS000115853-01,18,3.213,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1,MLS000114996-01,18,4.4147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1csc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c1,NCGC00082488-01,2,4.1796,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=CCOC(=O)C1=C(C)NC(=O)NC1/C=C/c1ccccc1,MLS000113154-01,18,2.3844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)OC(C)C)C(/C=C/c2ccccc2)NC(=O)N1,MLS000075408-01,18,2.6068,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)OCc2ccccc2)C(/C=C/c2ccccc2)NC(S)=N1,MLS000578432-01,18,3.9748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(Cl)cc1,MLS000109558-01,18,4.0378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)cc1,MLS000109668-01,18,3.6928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Cc1ccccc1)N1CCc2ccccc2C1,MLS000106794-01,18,2.5747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCCNc1nc2ccccc2[nH]1,MLS000103462-01,18,2.7067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC,MLS000039048-01,18,3.6226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2[nH]c(NCCCO)nc2c1,MLS000526331-01,18,1.7559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)N1CCOCC1,MLS000101336-01,18,3.8352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc2cc(Cl)ccc2o1)N1CCOCC1,MLS000063261-01,18,2.4321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCN(C(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)CC1,MLS000101308-01,18,2.1715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1,MLS000099843-01,18,2.7476,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC2CC(=O)N(CCc3ccccc3)C2=O)cc1,MLS000528505-01,18,2.4773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)CC(Nc3ccccc3)C2=O)cc1,MLS000533098-01,18,2.739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC2CC(=O)N(c3ccc(C)cc3)C2=O)cc1,MLS000534989-01,18,3.0474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCC2,MLS000099000-01,18,3.3342,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCC2,MLS000530609-01,18,4.3405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccccc1,MLS000096619-01,18,4.0396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccc(Cl)cc1,MLS000049240-01,18,4.693,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccc(Cl)cc1,MLS000559131-01,18,3.9596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-n2nnc3c(=O)n(Cc4ccc(Br)cc4)cnc32)c1,MLS000092837-01,18,2.7966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3CC2C)CC1,MLS000092276-01,18,4.1249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)o2)c1)c1ccco1,MLS000089746-01,18,5.8067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1)c1ccco1,MLS000547733-01,18,5.5131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1C(C)CCCC1C,MLS000089334-01,18,2.1478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,2999280,18,0.3646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2,MLS000087836-01,18,4.0558,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2,NCGC00046852-01,2,4.0558,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2C)c1,MLS000086910-01,18,2.7791,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCN(c4ccccc4)CC3)ccc2N1,NCGC00085182-01,2,2.0732,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)CC2C)cc1,MLS000521872-01,18,1.445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Cc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1,NCGC00109045-01,18,2.3455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(-c2nc3cc(-c4nc5ccccc5o4)ccc3[nH]2)cc1,MLS000084638-01,18,4.6203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1,824226,18,3.9376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(-c2nc3ccc(N)cc3o2)cc1,542899,18,2.6592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc2oc(-c3ccc4[nH]cnc4c3)nc2c1,MLS000121646-01,18,2.9533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccc(OC)cc2)c(O)c1,MLS000083257-01,18,4.0619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(C)COc1ccc(-c2n[nH]cc2Oc2cccc(OC)c2)c(O)c1,NCGC00066197-01,2,4.5381,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC,MLS000551788-01,18,5.3114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nc(N)ncc2Oc2cccc(OC)c2)c(O)c1,MLS000552113-01,18,3.631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1C,MLS000082363-01,18,2.4015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCCc2ccccc21)CC3,MLS000081153-01,18,3.8138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1occc1-c1nnc(SCC(=O)c2cc3ccccc3oc2=O)o1,MLS000080726-01,18,3.7194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1,MLS000080339-01,18,3.4939,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1,MLS000556335-01,18,3.3498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3nccs3)nc2N)cc1,MLS000079349-01,18,3.2309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccc(N(C)C)cc3)s2)cc1,MLS000554932-01,18,3.8404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)C(c1ccncc1)N(Cc1cccs1)C(=O)c1csnn1,MLS000074074-01,18,3.4371,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1c(O)c2cccc3c2n(c1=O)CCC3,MLS000072859-01,18,2.312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2,NCGC00085735-01,2,3.6338,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1,MLS000071260-01,18,4.3263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(OCC(=O)c2ccccc2)nc2c(c1-c1ccco1)CCc1ccccc1-2,990374,18,5.2406,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)c2CO1,MLS000051134-01,18,4.9797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccoc3)c2CO1,MLS000071367-01,18,4.9797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2cc(Cl)ccc2o1,MLS000070994-01,18,4.4227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C)c1ccccc1,MLS000548608-01,18,4.8512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c(C)c1,MLS000057940-01,18,3.9581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCc2nnc(-c3ccccc3Br)o2)nc2sc3c(c2c1=O)CCC3,MLS000057873-01,18,4.5885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccccc1-c1nnc(CSc2nnc3sc4ccccc4n23)o1,MLS000056501-01,18,5.0488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCc4ccccc43)nc2s1,MLS000057704-01,18,4.7332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC(=O)NCc1ccco1,MLS000057546-01,18,3.0626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)NCc1ccco1,MLS000565941-01,18,3.1179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2c1,MLS000053443-01,18,2.6331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1cccs1,MLS000053289-01,18,4.7164,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1,MLS000051239-01,18,5.3436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(OC(F)F)c(Cl)c1)Nc1ccc2c(c1)OCO2,MLS000050515-01,18,4.3141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2,MLS000049250-01,18,3.1596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Br)s1,MLS000048291-01,18,3.0401,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccncc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1,MLS000582035-01,18,3.9374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OCC)cc3)c(=O)[nH]2)CC1,MLS000045882-01,18,1.203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2)c1C#N,MLS000043942-01,18,3.4473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCCn2cc(C(=N)NO)c3ccccc32)cc1C,MLS000043166-01,18,3.6413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCCn2cc(C(=N)NO)c3ccccc32)ccc1Cl,MLS000519273-01,18,3.9863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1,MLS000039948-01,18,5.1313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1,NCGC00071275-01,2,5.1313,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(C)c1OCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,MLS000036605-01,18,5.0379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1OCC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12,NCGC00101787-01,18,5.2981,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2,460749,18,0.6942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2,647501,18,0.5237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1,460747,18,-1.3178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1ncnc2c(=O)n(C)c(=O)nc1-2,66541,18,-1.6262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1,645256,18,3.8895,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)Cc2nnnn2Cc2ccco2)cc1,1464396,18,3.4379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1,654636,18,3.4994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)c(=O)[nH]c2cc1OC,652790,18,3.508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,660629,18,3.3732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12,MLS000555843-01,18,2.4542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12,MLS000556436-01,18,1.6756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(NCCOCCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4,665043,18,4.1309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CCO)c1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3,4435646,18,4.5287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(N(C)CCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4,3786360,18,4.1386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4,665142,18,3.5011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CNc1nc(C#N)nc(N2CCOCC2)n1,712287,18,-0.4451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=S)N2CCCCCC2)cc1,841625,18,3.2467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(=S)N2CCCCCC2)cc1,1248638,18,3.3041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(c1ccc(N2CCCC2)cc1)N1CCCCC1,MLS000049532-01,18,3.4482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(C(=S)N2CCOCC2)cc1)N1CCCC1,MLS000097110-01,18,1.6955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)CSc1nc(=O)cc(N)n1-c1ccccc1,1304583,18,2.3321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1,MLS000056065-01,18,2.5814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1,2286812,18,4.6568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C1\SC(=S)N(NC(=O)c2ccccc2C)C1=O)=C\c1ccccc1,MLS000580293-01,18,4.4875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1,2313812,18,3.7933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1,2951909,18,4.3947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(Oc2nc(C#N)cc(-c3ccccc3)n2)cc1,3357498,18,3.6793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(OC(=O)CNC(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1,3672384,18,3.2494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(Cc1ccccc1)C(=O)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)OCc1ccccc1,3768880,18,5.2549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl,2856094,18,5.3337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)OCc1ccccc1)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl,MLS000579803-01,18,4.9452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)CC(C)C,5322221,18,4.1013,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3,5422067,18,2.8291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2c(CN(CC(C)C)CC(C)C)c(O)ccc12,5398457,18,3.921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C/c1ccc2ccccc2c1,5331443,18,2.0069,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C\c1c2ccccc2cc2ccccc12,5390233,18,3.1601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1,5349801,18,2.2197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccc([N+](=O)[O-])cc1C=NNC(=O)COc1ccccc1)C1CCCCC1,MLS000585782-01,18,3.8928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O,5739885,18,2.8304,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C)c(O)c(Cl)cc12,5429720,18,4.1128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1OC,5841200,18,4.6034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Cc1c(C)c2ccc(O)c(CN3CCCC(C)C3)c2oc1=O,5892724,18,2.7544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12,6603244,18,2.7861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OC(/C=C/c2ccccc2)=N/C1=C/C=C/c1ccccc1,6150155,18,4.2524,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccco1,6952358,18,3.2892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1ccco1,6264314,18,3.9426,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OC(c2ccccc2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-],5754840,18,3.4955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(N/N=C/c2cccc(C)c2)nc1C,9582542,18,3.3826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1sc(N/N=C\c2cccc(Br)c2)nc1C,6289142,18,3.8626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C,MLS000026911-01,18,3.0459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(F)c1,12004609,18,3.9325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c2ccccc2c(=O)c2cc([N+](=O)[O-])ccc21)Nc1ccccc1Cl,MLS000585123-01,18,4.355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cc2ccc(-n3c(C)nc4cccnc43)cc2)c(Cl)c1,16022193,18,4.8719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nc2cccnc2n1-c1ccc(CC(=O)Nc2cccc(C)c2C)cc1,16022217,18,4.7809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2Cl)cc1,16022215,18,4.8175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CC(Cl)=CC2S/C(=C3\Sc4cc(Cl)cc(C)c4C3=O)C(=O)C12,NoName,7,5.5317,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+Cc1cc(Cl)cc2c1C(=O)/C(=C1\Sc3cc(Cl)cc(C)c3C1=O)S2,2_16,1,6.0988,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Cc1cc(Cl)cc2c1C(=O)/C(=C1\Sc3cc(Cl)cc(C)c3C1=O)S2,1_05,1,6.0988,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Cc1cc(Cl)cc2c1C(=O)C(=C1Sc3cc(Cl)cc(C)c3C1=O)S2,Vat_Red_1,7,6.0988,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+COc1ccc2c(c1)CCC1C2CCC2(C)C(NCCCc3ccccc3)CCC12,"3-methoxy-13-methyl-N-(3-phenylpropyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine",7,6.1423,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+COc1ccc2c(c1)CCC1C2CCC2(C)C(NCCCc3ccccc3)CCC12,2_08,1,6.1423,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+COc1ccc2c(c1)CCC1C2CCC2(C)C(NCCNc3ccc([N+](=O)[O-])cn3)CCC12,2_07,1,4.9248,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+COc1ccc2c(c1)CCC1C2CCC2(C)C(NCCNc3ccc(C[N+](=O)[O-])cn3)CCC12,NoName,7,4.7933,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=C(Nc1nnc(Sc2nc3cc(Cl)ccc3s2)s1)c1ccc(Cl)c(Cl)c1,"3,4-Dichloro-N-[5-(5-chloro-benzothiazol-2-ylsulfanyl)-[1,3,4]thiadiazol-2-yl]-benzamide",7,6.5115,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=C(Nc1nnc(Sc2nc3cc(Cl)ccc3s2)s1)c1ccc(Cl)c(Cl)c1,1_01,1,6.5115,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1,NCGC00085875-01,2,2.2766,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Nc1ccc2c(c1)OCO2,NCGC00085675-01,2,2.7497,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1,NCGC00085563-01,2,2.09,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1,NCGC00085567-01,2,2.4801,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)OC1c2ccccc2C(=O)N1Cc1ccccc1Cl,NCGC00085550-01,2,3.5577,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccnc(NC2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1,NCGC00085548-01,2,4.8101,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)OC1c2ccccc2C(=O)N1c1ccccc1C,NCGC00085612-01,2,3.2171,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCN1CCc2ccccc2C1)Nc1ccc(F)cc1,NCGC00085491-01,2,3.0055,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc(C)c(C(=O)Nc2cccc(C)c2C)o1,NCGC00085435-01,2,3.1606,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1NC(=O)c1ocnc1C,NCGC00085433-01,2,2.5437,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)c1C,MLS000578540-01,18,4.8937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)c1C,NCGC00120078-01,18,3.9459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,NCGC00085154-01,2,0.4426,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1,NCGC00084770-01,2,0.525,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1,NCGC00084800-01,2,3.5526,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccccc1,NCGC00084798-01,2,3.7163,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1,NCGC00084824-01,2,3.3359,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCC1CCCC1,NCGC00084830-01,2,5.0974,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1,NCGC00064759-01,2,3.2254,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1C,MLS000569773-01,18,3.3609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,NCGC00037373-01,2,1.1955,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc2c(c1)OCO2,NCGC00037198-01,2,2.3758,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1Cc1ccco1,NCGC00036662-01,2,5.6979,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=S(=O)(O)c1cc(O)c(N=Nc2c(O)ccc3ccccc23)c2ccccc12,1_06,1,5.0663,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=S(=O)([O-])c1cc(O)c(/N=N/c2ccc3ccccc3c2O)c2ccccc12,MFCD00003934,9,4.7237,"McGovern SL, Helfand, BT, Feng, B and Shoichet BK, J Med Chem, 46, 4265-4272 (2003)"
+COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)Nc2ccc(OC(F)F)cc2)c1,NCGC00160684-01,18,6.3526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(c(C)c1Br)C(c1ccc3c(c1)OCO3)CC(=O)O2,NCGC00160032-01,18,4.2356,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(c(C)c1Cl)C(c1ccc3c(c1)OCO3)CC(=O)O2,NCGC00159765-01,18,4.1265,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c2c(c1)OC(=O)CC2c1ccc2c(c1)OCO2,NCGC00159921-01,18,2.8735,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2oc(=O)cc(-c3ccc(-c4ccc(C#N)cc4)cc3)c2c(OC)c1OC,NCGC00159914-01,18,5.0245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C=CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1,NCGC00159759-01,18,6.7251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C=CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1,NCGC00159604-01,18,7.1615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C=CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2F)cc1,NCGC00159606-01,18,7.1615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,NCGC00159573-01,18,3.8392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,K252c,1,4.199,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,K-252c,6,4.199,"McGovern SL and Shoichet BK, J Med Chem 46, 1478-1483 (2003)"
+Cc1nccc2c1[nH]c1cc(O)ccc12,NCGC00142521-01,18,2.7301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nccc2c1[nH]c1ccccc12,NCGC00025022-02,18,3.0245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)[nH]c1c(C)nccc12,NCGC00094869-01,18,3.0331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(=O)n(Cc2ccccc2)c1=O,NCGC00142253-01,18,3.4324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)c(C(=O)O)cc1OC,NCGC00142061-01,18,2.713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5cccc(Cl)c5)CC4)sc3n2)cc1,NCGC00141663-01,18,4.9749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cn3nc(N4CCCC(C(=O)NCc5ccc(Cl)cc5)C4)sc3n2)cc1,16034731,18,4.6526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc2ccc3cccnc3c2[nH]1)N1CCN(c2cccc(Cl)c2)CC1,NCGC00141558-01,18,4.3319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(C(=O)c3cc4ccc5cccnc5c4[nH]3)CC2)c1C,NCGC00126594-01,18,4.2953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-n2c(SCc3ccccc3F)nc3[nH]ncc3c2=O)ccc1Cl,NCGC00140995-01,18,4.502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCc3ccccc3C)nc3[nH]ncc3c2=O)cc1C,NCGC00140689-01,18,4.3264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCc3ccccc3F)nc3[nH]ncc3c2=O)cc1Cl,NCGC00140993-01,18,4.502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)C(CS(=O)(=O)Cc1ccc(Cl)cc1)N2,NCGC00139949-01,18,4.271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CS(=O)(=O)CC2Nc3ccc(C(=O)NCc4ccccc4Cl)cc3NC2=O)c1,NCGC00139945-01,18,3.926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)C(CS(=O)(=O)Cc1ccc(F)cc1Cl)N2,NCGC00139947-01,18,4.4101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)cc1,NCGC00134268-01,18,6.0541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccccc3Br)s2)cc1,NCGC00133565-01,18,4.3088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)c1ccccc1Br,NCGC00133541-01,18,4.0004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)nn1,NCGC00132544-01,18,3.6064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc3sc(C(=O)Nc4ccc(F)cc4)cc3cc2c1,NCGC00132109-01,18,5.1493,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2cc(C(=O)Nc3ccc(F)cc3)sc2s1,MLS000549173-01,18,4.9166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1,NCGC00131231-01,18,5.8909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)Nc1ccccc1Br,NCGC00129149-01,18,6.0051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Br,NCGC00085385-01,2,3.1631,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1,NCGC00129193-01,18,5.4452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nc2ccccc2c(OCc2ccc(Cl)cc2)c1C(=O)OC,NCGC00128979-01,18,5.3658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(SC)nc2ccccc2c1OCc1ccc(Br)cc1,NCGC00105271-01,18,5.0848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nc2ccccc2c(OCc2ccccc2Cl)c1C(=O)OC,NCGC00128977-01,18,5.3658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1C)C(=O)C1CCCN21,NCGC00128814-01,18,3.288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(CN2C(=O)C3CCCN3c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1,MLS000549351-01,18,2.8399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1F)C(=O)C1CCCN21,NCGC00113829-01,18,2.8103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2)c1,NCGC00128222-01,18,4.0862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2nc(N)c(C(=O)c3ccccc3Cl)s2)cc1,NCGC00127993-01,18,4.752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nc(N)c(C(=O)c2ccccc2Cl)s1,NCGC00127645-01,18,4.6617,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)c2sc(Nc3ccc(F)cc3)nc2N)c(C)c1,NCGC00127649-01,18,4.4558,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(Cl)c(C)cc1NC(=O)c1cc2ccc3cccnc3c2[nH]1,NCGC00126932-01,18,4.9388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)c1cc2ccc3ccc(C)nc3c2[nH]1,NCGC00126402-01,18,4.9388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1,NCGC00125575-01,18,4.356,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)ccc1Br,NCGC00125505-01,18,5.56,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CC=C(c2c[nH]c3ccccc23)CC1,NCGC00085884-01,2,2.8868,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1ccc(Cl)cc1NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1,NCGC00125503-01,18,4.9291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NC(C)c4ccccc4)cc3nc2s1,NCGC00125474-01,18,4.5474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NCC(C)c4ccccc4)cc3nc2s1,NCGC00125410-01,18,4.8897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NC(C)c4ccccc4)cc3nc2s1,NCGC00125416-01,18,5.1012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(C)c1NC(=O)Cn1nnc(-c2nc(-c3ccccc3F)no2)c1N,NCGC00125051-01,18,3.2259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(C)c1NC(=O)CSc1[nH]c(-c2ccccc2F)nc2ncnc1-2,MLS000559386-01,18,4.7122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2cccs2)cc1,NCGC00124982-01,18,5.3301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(NC(=O)CC2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cccs2)cc1,MLS000590061-01,18,5.0636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccco2)cc1,NCGC00125072-01,18,4.0858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(cc1S(=O)(=O)CCC(=O)NCc1ccccc1)OCC(=O)N2,NCGC00121858-01,18,1.8061,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(F)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2,NCGC00121864-01,18,2.2675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)NCc1ccccc1Cl,NCGC00121866-01,18,2.8045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2cc(C(=O)Nc3ccccc3C#N)c3ccccc3c2=O)cc1,NCGC00121688-01,18,4.1233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12,MLS000584901-01,18,5.0365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)nc3c2COc2ccccc2-3)cc1,NCGC00120335-01,18,6.6045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(Nc2nc(-c3ccc(F)cc3)c3c(n2)-c2ccccc2OC3)cc1,NCGC00120315-01,18,5.7248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(-c2nc(Nc3cccc(Cl)c3)nc3c2COc2ccccc2-3)cc1,NCGC00120333-01,18,6.2391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccccc3)o2)cc1OC,NCGC00119460-01,18,3.5045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Br)cc3c2C)cc1,NCGC00117770-01,18,5.2047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2ccc(Br)cc12,MLS000335929-01,18,4.6323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nonc2NC(=O)c2oc3c(C)c(C)ccc3c2C)cc1OCC,NCGC00116065-01,18,5.4578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(c1)N=C(c1cccnc1)N=C(c1ccc(C(C)(C)C)cc1)N2,NCGC00116640-01,18,5.8921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccccc4Cl)c(C)c3cc12,NCGC00116352-01,18,5.0584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(CCC(=O)NCc2cccc(Cl)c2)c(=O)oc2c(C)c(O)ccc12,NCGC00116228-01,18,4.0178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)c(CC(=O)O)c(C)c2c2occ(-c3ccc(F)cc3)c12,NCGC00116343-01,18,4.5892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(=O)oc2cc(C)c3c(-c4ccccc4)coc3c12,NCGC00116311-01,18,5.4671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)c(CC(=O)NCCc3ccccc3)c(C)c2c2occ(C(C)(C)C)c12,NCGC00116649-01,18,5.3549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(Oc2ccc(OC)cc2)nnc(-c2ccccc2)c1-c1ccccc1,NCGC00116327-01,18,5.7882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(Nc2ccc(C)c(C)c2)nnc(-c2ccccc2)c1-c1ccccc1,NCGC00100025-01,18,6.3477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(Nc2cc(C)cc(C)c2)nnc(-c2ccccc2)c1-c1ccccc1,NCGC00100027-01,18,6.3477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Oc2cc(-c3ccc4c(c3)OCO4)cc(=O)c3c(C)oc(C)c23)cc1,NCGC00116054-01,18,5.3332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(C)c2c(=O)cc(-c3ccc4c(c3)OCO4)cc(OC(=O)c3cccc(Cl)c3)c12,NCGC00116046-01,18,5.6781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(C)c2c(=O)cc(-c3ccc4c(c3)OCO4)cc(OC(=O)c3ccc(Cl)cc3)c12,NCGC00116048-01,18,5.6781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2OC)n1,NCGC00115458-01,18,3.128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(O)nc(Nc2cc(OC)ccc2OC)n1,MLS000066001-01,18,2.8955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(Cc2cc3cccc(C)c3nc2O)C(=O)c2cccc(Cl)c2)cc1,NCGC00115151-01,18,5.7578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)OCc2cc3cccc(C)c3nc2O)cc1,MLS000040569-01,18,3.6144,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N(Cc2cc3ccccc3nc2O)C(=O)c2cccc(Cl)c2)c1,NCGC00115185-01,18,5.7492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2ccc(F)cc2F)CC1,NCGC00114990-01,18,2.3025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1F)N1CCN(C/C=C/c2ccccc2)CC1,NCGC00085121-01,2,3.8277,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccs2)CC1,NCGC00086702-01,2,1.6941,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC23CCCCC3)cc1,NCGC00114406-01,18,4.8328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)c1,NCGC00114344-01,18,4.1714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCCC3)cc1,NCGC00114366-01,18,4.6239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(F)c1)c1ccc(-c2ccccc2)s1,NCGC00114328-01,18,4.8065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)c2ccc(-c3ccccc3)s2)cc1,NCGC00114300-01,18,5.2298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)s1,NCGC00114326-01,18,4.9456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Cn2c(C)c(CNCc3cccc(C)c3)c(C(=O)O)c2C)c1,NCGC00113997-01,18,4.4583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CNCc2c(C(=O)O)c(C)n(Cc3c(F)cccc3Cl)c2C)cc1,NCGC00114245-01,18,5.4961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccccc1NC(=O)CN1C(=O)CC(c2ccco2)Sc2ccccc21,NCGC00112437-01,18,4.6651,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)CC(c2ccco2)Sc2ccccc21)Nc1ccccc1F,MLS000102382-01,18,4.6275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)cc1,NCGC00109872-01,18,4.6136,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cccc(NC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)c1,NCGC00109832-01,18,4.7598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-n2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccc3c2=O)cc1,NCGC00109161-01,18,4.9281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccccc1-c1nc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2n1,NCGC00098987-01,18,5.4159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1,NCGC00108831-01,18,6.4995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC1=C2C(=Nc3ccccc3SC2c2ccco2)c2ccccc21,NCGC00079791-01,2,5.5301,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+OC1=C2C(=Nc3ccccc3SC2c2ccco2)c2ccccc21,MLS000108310-01,18,5.5301,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)N(Cc2cn(C)c3ccccc23)C2CCCCCC2)c1,NCGC00108395-01,18,5.9438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)N(Cc2cn(CC)c3ccccc23)C2CCCCC2)cc1,NCGC00108419-01,18,6.5904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2c(C(=O)N3CCN(c4cccc(C)c4C)CC3)oc(=O)c3ccccc23)cc1,NCGC00108084-01,18,5.3477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(C2(c3ccccc3)C(=O)c3ccccc3C2=O)CC1,NCGC00107583-01,18,4.7451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=C(N3CCN(c4cc(Cl)ccc4C)CC3)c3ccccc3C2=O)cc1,NCGC00107390-01,18,5.5438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(C3(c4ccccc4)C(=O)c4ccccc4C3=O)CC2)c1,NCGC00107571-01,18,4.4001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(C3=C(c4ccccc4)C(=O)c4ccccc43)CC2)c1,NCGC00107482-01,18,5.1902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)[nH]2)c1,NCGC00106970-01,18,4.8596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3sccn3c2Nc2ccc(C)c(C)c2)cc1,NCGC00105917-01,18,5.7317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(C)c1Nc1c(-c2ccc(SC)cc2)nc2sccn12,NCGC00105909-01,18,6.3991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1c(-c2ccccc2O)nc2sccn12,NCGC00105919-01,18,4.8204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(F)cc3)ccc2c1=O,NCGC00105007-01,18,3.2714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2c1=O,NCGC00105005-01,18,3.4105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccccc1Cl,NCGC00104852-01,18,4.0523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2nc(SCC(=O)NC(C)c3ccccc3)nn2c(C)c1Cc1c(F)cccc1Cl,NCGC00104610-01,18,5.0939,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2nc(SCC(=O)NC3CCCCC3)nn2c(C)c1Cc1ccccc1Cl,NCGC00104148-01,18,4.5263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cc2c(C)nc3nc(SCc4ccccc4F)nn3c2C)c1,NCGC00139616-01,18,5.0718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccc(NCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1,NCGC00104463-01,18,5.079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1,NCGC00104481-01,18,5.5199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1-c1nc(/C=C/c2ccccc2Cl)nn1-c1ccccc1,NCGC00103052-01,18,5.4637,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1,MLS000331893-01,18,4.8103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1,NCGC00101191-01,18,4.8103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)[nH]2)cc1,NCGC00102332-01,18,4.2178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nnc(SCC(=O)c3ccccc3)[nH]2)cc1,NCGC00102328-01,18,3.8454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2c(O)cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2C)cc1,NCGC00102308-01,18,4.6045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2c(O)cc(C)c(NS(=O)(=O)c3ccc(Br)cc3)c2C)cc1,NCGC00102312-01,18,4.7136,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)c(CC(=O)Nc1ccc(C(C)=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,NCGC00101796-01,18,5.684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)c(CC(=O)Nc1ccc(C(C)=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,MLS000375172-01,18,5.684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1,MLS000418491-01,18,5.49,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2,NCGC00100339-01,18,6.2843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1C,NCGC00100317-01,18,6.0698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2,NCGC00100319-01,18,6.5841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c2ccccc12,NCGC00099167-01,18,5.8318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(C)=O)c(C)n3S(=O)(=O)c2ccc(OCC)cc2)cc1,NCGC00098765-01,18,4.9875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(C)n(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc12,NCGC00099631-01,18,5.4969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1,NCGC00098692-01,18,6.0781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)c(OC)c1,MLS000555636-01,18,5.3328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1,NCGC00102406-01,18,5.5382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc(Br)cc4)CC3)ccc21,NCGC00098571-01,18,5.8947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(CN3CCN(Cc4ccccc4F)CC3)ccc21,NCGC00098553-01,18,5.2713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C(=O)OCCC(C)C)cc2)c1,NCGC00098287-01,18,4.5586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,NCGC00093777-01,18,0.1782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,9853645,18,1.7386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,2993,18,6.1702,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@]1([C@@H](NS(=O)(=O)c2cccc3cccnc23)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1,NCGC00074381-01,18,7.5279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@]1([C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc2)C[C@H]1C1CCCCC1,NCGC00074392-01,18,8.0846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,NCGC00025143-02,18,4.092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,NCGC00025143-01,2,4.092,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,NCGC00025143-01,18,4.092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(\N)Sc1ccccc1N,NCGC00025029-01,18,3.1232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=C(N)Sc1ccccc1N)/C(C#N)=C(\N)Sc1ccccc1N,U0126,1,3.1232,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+N#CC(=C(N)Sc1ccccc1N)C(C#N)=C(N)Sc1ccccc1N,U0126,6,3.1232,"McGovern SL and Shoichet BK, J Med Chem 46, 1478-1483 (2003)"
+C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C,NCGC00024775-03,18,6.2943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,Bexarotene,15,6.1037,Shoichet Lab In House Data - Allison Doak
+C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C,NCGC00024775-02,18,6.2943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,NCGC00021488-03,18,5.107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,Cinnarizine,5,5.107,"Coan KED and Shoichet BK, J.Am.Chem.Soc, 130, 9606-9612 (2008)"
+Cc1cccc(OCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C,MLS000862609-01,18,2.7485,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1,NCGC00080467-01,2,2.633,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1,MLS000107973-01,18,2.633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2c(ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc32)s1,MLS000724712-01,18,5.985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(S)=NCc2ccc3[nH]c4c(c3c2)CCCC4)c1,MLS000724647-01,18,5.5614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(S)=NCc2ccc3[nH]c4c(c3c2)CCCC4)c1,MLS000724627-01,18,5.253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc(-c2ccccc2)cc1,MLS000722253-01,18,5.8572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccccc1)C(=O)c1cccs1,MLS000418503-01,18,4.6587,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccccc1Cl)C(=O)c1ccccc1,MLS000554390-01,18,5.2506,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Cn1c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c(=O)c2ccccc21,MLS000722137-01,18,4.6852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1c[nH]c2ccccc12)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1,MLS000520840-01,18,4.7057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2cc(S(=O)(=O)c3ccccc3)c(=Nc3ccc4c(c3)OCCO4)oc12,MLS000722136-01,18,4.2778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=Nc2ccc3c(c2)OCO3)cc1,MLS000520385-01,18,4.5351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=Nc2ccc3c(c2)OCCO3)cc1,MLS000722126-01,18,4.5776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)CC2SC(NN=Cc3c[nH]c4ccccc34)=NC2=O)cc1,MLS000722052-01,18,3.2949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NNC2=NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)o1,MLS000572383-01,18,3.1917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1SC(NN=Cc2c[nH]c3ccccc23)=NC1=O)Nc1ccccc1,MLS000574545-01,18,3.1182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccccc2)o1)c1cc(Cl)sc1Cl,MLS000721997-01,18,4.3572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCc3ccccc3C2)s1,MLS000720393-01,18,3.9856,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-],MLS000707830-01,18,2.4035,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1coc2ccccc2c1=O)c1ccccc1Br,MLS000706049-01,18,3.3194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(C(Cl)Cl)nc2sc3c(c12)CCN(Cc1ccccc1)C3,MLS000705398-01,18,4.4314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOc1c(Br)cc(C=NNc2ccc(C(=O)O)cc2)cc1OCC,MLS000704843-01,18,4.5568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOc1c(Br)cc(CNc2ccc(NC(=O)C(C)C)cc2)cc1OCC,MLS000581572-01,18,5.6192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)n(C)c1=S,MLS000704218-01,18,4.2272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nn(-c2ccccc2)c(N)c1N=Nc1ccc2c(c1)OCO2,MLS000701267-01,18,3.1808,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(N)c1N=Nc1ccc2ccccc2c1,MLS000391774-01,18,5.3315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n2nc(N)c(N=Nc3ccc4c(c3)OCO4)c2n1,MLS000701195-01,18,3.0724,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cn1,MLS000701088-01,18,2.6202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(-c2ccc(C3Nc4ccccc4C(=O)N3O)o2)cc1,MLS000700985-01,18,4.079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2NC(c2ccc(-c3cccc(Cl)c3)o2)N1O,MLS000538704-01,18,4.5557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2NC(c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1O,MLS000698271-01,18,3.8105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C=NNC(=O)CCc2ccc(O)c(O)c2)c1,MLS000700903-01,18,2.1979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C=NNC(=O)CN2CCSCC2)c1,MLS000576136-01,18,1.2027,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(OC)c1,MLS000700038-01,18,4.0687,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cc2c(cc1C=NNc1nc(Nc3ccccc3)nc(N3CCCCC3)n1)OCO2,MLS000544069-01,18,3.6884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccccc1COc1ccccc1C=NNc1nc(N2CCCC2)nc(N2CCCC2)n1,MLS000587650-01,18,4.2361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1,MLS000698519-01,18,3.9739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1n[nH]c2ncc(C(=O)c3ccccc3O)cc12,MLS000055902-01,18,2.2029,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12,MLS000698520-01,18,4.3189,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)NCC(=O)NN=Cc1ccc(Br)o1,MLS000698101-01,18,1.9958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)N=C(S)NC1c1ccc(OC(=O)c2ccco2)cc1,MLS000680509-01,18,3.266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1,MLS000666233-01,18,4.4809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2,MLS000595293-01,18,3.8146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12,MLS000040159-01,18,3.0244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CCn1c(N)c(C#N)c2nc3ccccc3nc21,MLS000595282-01,18,3.2897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3ccccc3nc12,MLS000555562-01,18,2.4684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1,MLS000556284-01,18,2.7768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(CSC(=N)N)n(-c2ccc(Br)cc2)c2cc(Br)c(OC(C)=O)cc12,MLS000595146-01,18,5.9621,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(CSC(=N)N)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12,MLS000545873-01,18,5.508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCCc1ccc(C#N)c(SCc2c(C(=O)OCC)c3cc(OC(C)=O)c(Br)cc3n2C)n1,MLS000590012-01,18,5.7204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1oc(-c2ccccc2Cl)nc1P(=O)(c1ccccc1)c1ccccc1,MLS000595124-01,18,4.6761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1oc(-c2ccc(C)cc2)nc1P(=O)(c1ccccc1)c1ccccc1,9511206,18,4.3311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1oc(-c2ccc(Cl)cc2)nc1P(=O)(c1ccccc1)c1ccccc1,3962842,18,4.6761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NNc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3,MLS000594970-01,18,3.5227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)c1,MLS000588158-01,18,4.3414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NNc1nc(-c2ccccc2Cl)nc2sc3c(c12)CCCC3,MLS000590811-01,18,4.1761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC,MLS000594855-01,18,3.4999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1CCC(C2=N/C(=C\c3ccc(OC)c(OC)c3)C(=O)O2)CC1,6056621,18,4.6065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1c(C)no[n+]1[O-],MLS000585056-01,18,2.5485,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C/C=C/c1ccc(Br)cc1)C(O)c1ccccc1,MLS000592220-01,18,3.2979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3cccs3)S2)CC1,MLS000592124-01,18,3.849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1,MLS000592086-01,18,5.1203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C2C3=C(O)c4ccccc4C3=Nc3nn(-c4ccccc4)c(O)c32)c1,MLS000591650-01,18,5.4353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C([N+](=O)[O-])C(c2cccc(Br)c2)C2=C(O)c3ccccc3C2=N1,MLS000537474-01,18,4.8265,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C1C2=C(O)c3ccccc3C2=Nc2nn(-c3ccccc3)c(O)c21,MLS000587776-01,18,5.4353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ncc(Br)cc2Br)cc1,MLS000591359-01,18,5.3279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(NCc2cc(Br)ccc2NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21,MLS000572964-01,18,5.54,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccc(Br)cn2)cc1,MLS000578306-01,18,4.5654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)NN=C/C=C/c3ccccc3)[nH]n2)s1,MLS000591353-01,18,3.8756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2NC(c3ccc(C)cc3)C([N+](=O)[O-])C(C)(C)C2[N+](=O)[O-])cc1,MLS000591302-01,18,4.0058,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)C([N+](=O)[O-])C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C1[N+](=O)[O-],MLS000587101-01,18,4.6958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2NC(c3ccc(CC)cc3)C([N+](=O)[O-])C(C)(C)C2[N+](=O)[O-])cc1,MLS000589146-01,18,4.5138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(-c3ccccc3)c2=O)cc1,MLS000591239-01,18,2.3201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1,NCGC00037171-01,2,4.4373,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1-n1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccco2)c1=O,MLS000081502-01,18,2.9422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1CC(=O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1,MLS000591047-01,18,6.103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccccc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21,MLS000591044-01,18,6.0944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc(F)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21,MLS000591046-01,18,6.2335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN=C(S)NN=Cc1cn(Cc2ccccc2F)c2ccccc12,MLS000591011-01,18,4.0579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C(=NNc1ccc(Br)cc1)Sc1cccc2cccnc12,MLS000590964-01,18,5.104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C(=NNc1ccc(Cl)cc1Cl)Sc1cccc2cccnc12,MLS000586062-01,18,5.6483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C(=NNc1cccc(Cl)c1)Sc1cccc2cccnc12,MLS000586063-01,18,4.9949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(CC(=O)CSc2ccc(Cl)cc2)nc(Nc2ccc(F)cc2)n1,MLS000590931-01,18,3.8938,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2nc(N)nc(CC(=O)CSc3ccc(Cl)cc3)n2)c1,MLS000577125-01,18,4.0631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cc1nc2sc3c(O)ncnc3c2c2c1CCC2,MLS000590806-01,18,3.6323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cc1nc2oc3c(O)ncnc3c2c2c1CCCC2,MLS000551815-01,18,3.5539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1nc2sc3c(O)ncnc3c2c2c1CCC2,MLS000590809-01,18,3.5572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C(=NNc1ccc(Br)cc1)Sc1nnnn1-c1ccccc1)c1ccccc1,MLS000590220-01,18,4.8254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nnnn1-c1ccccc1)c1ccccc1,MLS000590219-01,18,3.9711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1,MLS000590025-01,18,4.2636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1,MLS000538063-01,18,3.1454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1,MLS000589597-01,18,5.1253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2cnn3nnnc3n2)cc1,MLS000038786-01,18,0.5813,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1,MLS000573689-01,18,5.1253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+SC1=NC2=C(CCC/C2=C\c2ccccc2)C(c2ccccc2)N1,MLS000589596-01,18,5.1383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(/C=C2\CCCC3=C2N=C(S)NC3c2ccc(F)cc2)cc1,MLS000567025-01,18,5.4165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C2\CCCC3=C2N=C(S)NC3c2ccc(C)cc2)cc1,MLS000580002-01,18,5.7551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc3c4c(ccc3c2O)C(=O)c2ccccc2C4=O)cc1,MLS000589359-01,18,3.8149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)c2c1ccc1c(O)n(C3CCCCC3)nc21,MLS000035460-01,18,4.0225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2nc3c4c(ccc3c2O)C(=O)c2ccccc2C4=O)c1,MLS000554621-01,18,3.8149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=Nc3ccccc3N=C(c3cccs3)C2)c(O)c1,MLS000589358-01,18,5.4074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1C1=Nc2ccccc2N=C(c2cccs2)C1,MLS000577112-01,18,5.099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(O)c(C2=Nc3ccccc3N=C(c3cccs3)C2)c1,MLS000589357-01,18,5.4074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(Br)cc(Br)cc1C=Nc1ccc2c(c1)OCO2,MLS000589279-01,18,4.3965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCC(C=Nc2ccc3c(c2)OCO3)=C1O,MLS000080333-01,18,3.7497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(N=C(S)Nc2ccc(Cl)cc2)sc2c1CCN(C)C2,MLS000589166-01,18,4.5955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc(Cl)c2)c1C,MLS000588943-01,18,3.9676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccccc2)c1C,MLS000588941-01,18,3.3142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cn2c(=N)n(CC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1,MLS000588755-01,18,4.648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1Cl,MLS000571867-01,18,4.993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Cn1c(=N)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21,MLS000571869-01,18,4.648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1,MLS000588586-01,18,5.1303,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1,MLS000331743-01,18,5.0678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1,MLS000588585-01,18,4.8218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N(C)C1CCCCC1,MLS000588466-01,18,4.9416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc2[nH]c(SCc3cn4cc(Cl)ccc4n3)nc2c1,MLS000588281-01,18,4.0645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1,MLS000588206-01,18,5.16,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(N=C(N)N=C(S)Nc3ccc(C)c(C)c3)nc(C)c2c1,MLS000588094-01,18,4.2979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Oc1ccc(Cl)cc1,MLS000587989-01,18,5.7575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])c1,MLS000566581-01,18,5.7209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc([N+](=O)[O-])ccc1Cl)N1c2ccccc2Sc2ccccc21,MLS000587789-01,18,5.6913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)N2c3ccccc3Sc3ccccc32)cccc1[N+](=O)[O-],MLS000587818-01,18,5.3463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)OC2=C(CC/C2=C\c2ccccc2Cl)C1c1ccccc1Cl,MLS000587548-01,18,5.9312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)OC2=C(CC/C2=C\c2ccccc2)C1c1ccccc1,MLS000551933-01,18,4.6258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)OC2=C(CCc3ccccc32)C1c1ccccc1Cl,MLS000586146-01,18,4.5052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12,MLS000587258-01,18,5.4563,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)n(CCc2c[nH]c3ccccc23)c(=O)c2cccnc21)Nc1ccccc1F,MLS000586907-01,18,3.06,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F,MLS000335784-01,18,5.51,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)CSc1nc2nccnc2c(=O)n1CCc1c[nH]c2ccccc12,NCGC00120997-01,18,3.9497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1CCC(C(=O)n2nc(N)c3cc4ccc(OC)cc4nc32)CC1,MLS000586871-01,18,4.422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc3c(N)nn(C(=O)Cc4ccc(Cl)cc4)c3nc2c1,MLS000522343-01,18,3.7116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc3c(N)nn(C(=O)C4CCC(C(C)(C)C)CC4)c3nc2c1,MLS000586849-01,18,4.668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCOC)C3Nc2ccc(CC)cc2)cc1,MLS000586817-01,18,5.2766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C)c(C2=CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21,MLS000586452-01,18,4.4476,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CC=C(c3c(C)n(C)c4ccccc34)CC2)cc1,MLS000586448-01,18,4.2731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(C)c(C2=CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc21,MLS000586450-01,18,4.756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)C(NC(=O)Cc2cccs2)c2ccccc2)cc1,MLS000586324-01,18,3.7954,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)C1CCC2[C@]1(C)CCC(=O)O1,MLS000586204-01,18,5.022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,MLS000069530-01,18,4.0585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,MLS000069534-01,18,3.6302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccc(F)cc1,MLS000586182-01,18,5.0346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccc(F)cc1,MLS000585093-01,18,4.0205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1S/C(=C\c2cn[nH]c2-c2ccc(F)cc2)C(=O)N1c1ccccc1F,MLS000586124-01,18,4.4106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)N=C2C=C(Sc3nc[nH]n3)C(=O)c3ccccc32)cc1C,MLS000585904-01,18,3.7805,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N=C2C=C(Sc3nc[nH]n3)C(=O)c3ccccc32)cc1,MLS000554446-01,18,3.1636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N=C2C=C(Sc3nc[nH]n3)C(=O)c3ccccc32)c(C)c1,MLS000585903-01,18,3.472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,MLS000585796-01,18,4.1328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CC(c2ccccc2)CC1=O)NN=Cc1cc(Br)ccc1O,MLS000585546-01,18,2.6209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CC(c2ccccc2)CC1=O)NCc1ccc(F)cc1,NCGC00085712-01,2,2.458,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)CN2CC(c3ccccc3)CC2=O)cc1OC,NCGC00085714-01,2,2.6584,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(O)nc3c2)cc1C,MLS000585536-01,18,3.0121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3[nH]c(O)nc3c2)c1,MLS000581239-01,18,3.0121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc([N+](=O)[O-])cc(C=NNC(=O)C(C)Nc2cccc3ccccc23)c1O,MLS000585509-01,18,3.4129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2SCC(=O)N2c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1,MLS000585309-01,18,4.7931,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(c2ccc(F)cc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1,MLS000324464-01,18,4.9236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(c2ccccc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1,MLS000325040-01,18,4.7845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(C)c(CCNC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)c2c1,MLS000584972-01,18,3.7718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C(C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1,MLS000557808-01,18,3.4378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2OC(=O)c2ccc(C)c(C)c2)c1,MLS000584739-01,18,3.9665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(On1c(-c2ccccc2)nc2ccccc2c1=O)c1ccco1,742415,18,2.9255,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2csc(NN=Cc3ccc4c(c3)OCO4)n2)cc1,MLS000584685-01,18,4.6382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccccc1,MLS000584192-01,18,3.7885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(CCCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)c2cccs2)cc1,MLS000584169-01,18,5.243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc3cccc(c23)C(=O)N1CCCN(C(=O)c1cccs1)c1cccc(F)c1,MLS000418421-01,18,5.3735,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C)ccc1N(CCCN1C(=O)c2cccc3cccc(c23)C1=O)C(=O)c1cccs1,MLS000418437-01,18,5.5514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2ccccc21,MLS000584125-01,18,3.8073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2ccc3ccccc3c2)CCCc2ccccc21,MLS000548977-01,18,5.4424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(F)cc1)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1,MLS000583883-01,18,4.3581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(Cl)c(Nc2cccc(Cl)c2)cnn1-c1nc2ccccc2s1,MLS000583096-01,18,4.8926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(Cl)c(N2CCN(c3ccc(F)cc3)CC2)cnn1-c1nc2ccccc2s1,MLS000331786-01,18,3.9613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(S)=Nc2cccc(C)n2)cc1,MLS000583052-01,18,3.5961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(S)=Nc2ccc3ccccc3c2)cc1,MLS000580491-01,18,4.6558,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc32)cc1,MLS000582836-01,18,5.1302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=N)N2O1,MLS000582427-01,18,4.0504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CN2C(=N)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1,MLS000331631-01,18,5.2512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12,MLS000587741-01,18,5.9043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,MLS000581837-01,18,3.9878,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2n1,MLS000053523-01,18,4.3425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)s1,MLS000581817-01,18,2.7748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cccc1-c1nc2ncccc2o1,MLS000581554-01,18,6.2239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N=C(S)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1,MLS000581480-01,18,5.3122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(S)=Nc2ccc(OCc3ccccc3)cc2)cc1OC,MLS000580430-01,18,5.3122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2nc(NC(=O)Nc3ccc4c(c3)OCO4)sc2C1,MLS000581372-01,18,3.6406,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(SCC(=O)Nc2nc3c(s2)CC(C)CC3)s1,MLS000049038-01,18,3.1586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3C#N)sc2Cl)cc1,MLS000581157-01,18,4.553,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccco5)nc4c32)cc1,MLS000581012-01,18,5.832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2c3c(ncn(Cc4ccco4)c3=N)Oc3ccc4ccccc4c32)cc1,MLS000331578-01,18,5.4516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2c3c(ccc4ccccc34)Oc3ncn4nc(Cc5ccccc5)nc4c32)cc1OC,MLS000580346-01,18,6.1714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2[nH]nc(C)c2[N+](=O)[O-])cc1C,MLS000580770-01,18,2.974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)CSc2[nH]nc(C)c2[N+](=O)[O-])cc1,MLS000580768-01,18,2.9195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(N=C(S)Nc2ccc(F)cc2[N+](=O)[O-])sc2c1CCCCC2,MLS000580425-01,18,4.8803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1,MLS000579975-01,18,4.5934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Sc1nnc(-c2ccccc2)n1N=Cc1c[nH]c2ccccc12,MLS000579821-01,18,3.5973,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(-c2nnc(S)n2N=Cc2c[nH]c3ccccc23)cc1,MLS000580397-01,18,3.7364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Sc1nnc(-c2ccccc2)n1N=Cc1ccc(-c2ccccc2Cl)o1,MLS000702157-01,18,5.0294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2N1,MLS000579719-01,18,4.2221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccccc3c2N1,MLS000553014-01,18,4.8755,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2CC(=O)Nc3c2ccc2ccccc32)cc1[N+](=O)[O-],MLS000560355-01,18,4.5305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3Cl)c2)c1,MLS000579419-01,18,5.9096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC12C(=O)N(c3ccc(OC(=O)c4ccco4)cc3)C(=O)C1C1c3ccccc3C2c2ccccc21,MLS000578304-01,18,5.2855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC12C(=O)N(c3cccc(OC(=O)c4ccco4)c3)C(=O)C1C1c3ccccc3C2c2ccccc21,MLS000324463-01,18,5.2855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1cccc(N2C(=O)C3C4c5ccccc5C(c5ccccc54)C3C2=O)c1)c1ccco1,MLS000577931-01,18,4.8954,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC1=NC(=O)/C(=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc23)S1,MLS000577333-01,18,4.1899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC1=NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)S1,MLS000572651-01,18,3.5365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1Cl,MLS000576861-01,18,5.7182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(NC(=O)C2CCCCC2)c2c(O)ccc3ccccc23)cc1,MLS000547719-01,18,5.3399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(c1ccc(Cl)cc1)c1c(O)ccc2ccccc12)c1ccccc1,MLS000553663-01,18,5.7182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1,MLS000576717-01,18,5.4858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1,MLS000324855-01,18,5.0432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)cc1,MLS000570553-01,18,4.263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)CCC(=O)NN=Cc1ccncc1,MLS000576590-01,18,2.259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cc(Cl)ccc1O)c1ccc(Br)cc1,MLS000576521-01,18,3.572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C(OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1C,MLS000576368-01,18,4.0668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(c2ccccc2)N=C(S)NC1c1ccc(Cl)c([N+](=O)[O-])c1,MLS000576366-01,18,4.1527,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(c2cccc(Oc3ccccc3)c2)N=C(S)NC1C,MLS000324938-01,18,4.0306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C1=C(c2ccccc2)N=C(S)NC1c1cc(Cl)c(OC(C)C)c(Cl)c1,MLS000581601-01,18,5.711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1,MLS000575853-01,18,5.0262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2csc(N3CCN(c4ccccc4)CC3)n2)cc1,MLS000534542-01,18,4.7901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C3C=CC(C3)C2C(=O)N1N=Cc1cn(Cc2ccc(F)cc2)c2ccccc12,MLS000575134-01,18,3.9697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C=NN2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc2n1C,MLS000676794-01,18,2.6277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(O)c2C=NCc2ccccc2)cc1,MLS000574603-01,18,4.7808,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1C=NCCc1c(C)[nH]c2ccccc12,MLS000585951-01,18,4.2458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccccc1)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1,MLS000574307-01,18,5.0509,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N(CC(O)CN2CCCCC2)c2ccccc2)cc1,NCGC00085793-01,2,3.0371,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccccc2)cc1,MLS000574276-01,18,5.0595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Oc1ccc([N+](=O)[O-])cc1,MLS000574186-01,18,5.3376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C(O)=C/C=Nc2ccc3c(c2)OCO3)cc1,MLS000574119-01,18,4.0251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)ON=Cc2ccc3c(c2)OCO3)cc1,MLS000706080-01,18,2.9146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(O)c3ccccc23)cc1S(=O)(=O)Nc1ccccc1,MLS000574004-01,18,4.1116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1)c1ccccc1,MLS000573681-01,18,5.4097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(C2=Nc3cccc4cccc(c34)N2)cc1,MLS000573077-01,18,4.3436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1=Nc2cccc3cccc(c23)N1)c1ccccc1,MLS000583768-01,18,3.6828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(C2=Nc3cccc4cccc(c34)N2)o1,MLS000676978-01,18,4.6991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)NC1CCCCCC1)c1ccccc1,MLS000572992-01,18,5.119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccccn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,MLS000571886-01,18,3.5878,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1-c1cc(-c2ccccc2)no1,MLS000570866-01,18,3.7142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc(-c2ccccc2O)on1)N1CCCC1,MLS000116310-01,18,2.2832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(-c3ccccc3)no2)c(O)c1,MLS000583415-01,18,4.0226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccc1,MLS000570052-01,18,5.3181,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC1CCCCCC1,MLS000569794-01,18,4.1544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cc([N+](=O)[O-])ccc1Cl,MLS000388553-01,18,4.5157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NNc2nc(Cl)c(Cl)cc2Cl)s1,MLS000569759-01,18,4.8577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NNc2ncc(Cl)cc2Cl)s1,MLS000565753-01,18,4.2043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1C,MLS000569733-01,18,1.8127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(Cl)c2Cl)n(C)c1=O,1116231,18,1.3792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(C#N)c(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)nc2c1,MLS000569157-01,18,4.6654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)c(C#N)cc2c1,MLS000568682-01,18,4.6654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(C#N)c(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)nc12,MLS000568821-01,18,4.6654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1C(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2C1=O,MLS000568561-01,18,3.9518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(Cl)cc1,MLS000568338-01,18,2.6291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(/C=C2\SC(NNC(=O)c3ccc4ccccc4c3)=NC2=O)c1,MLS000567596-01,18,3.7619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc(C(=O)NN/C=C3\Sc4ccccc4C3=O)ccc2c1,12005460,18,3.9128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(NNC(=O)c2cccc3ccccc23)S/C1=C\c1ccccc1OCc1ccccc1,MLS000566525-01,18,5.3237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C=C2\N=C(c3ccc(F)cc3)OC2=O)C(C)(C)c2ccccc21,MLS000567247-01,18,4.3245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCO/C=C1\N=C(c2ccc(F)cc2)OC1=O,MLS000336272-01,18,2.007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C=C2/C(=O)Oc3ccccc3C2=O)C(C)(C)c2ccccc21,MLS000700052-01,18,4.0262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1)NC1CCCCC1,MLS000567213-01,18,5.5543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CC(=O)NCc1ccco1)=NNC(=O)Cc1ccc(-c2ccccc2)cc1,MLS000566928-01,18,3.6877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(CSc3nc(N)cc(N)n3)c2cc1C(C)C,MLS000566642-01,18,3.4715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(N)nc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1,MLS000060462-01,18,2.5284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(Cn3nnc(-c4ccc(Cl)cc4)n3)c2cc1C(C)C,MLS000416452-01,18,4.58,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccco1,MLS000566619-01,18,5.8352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2C)o1,MLS000552997-01,18,6.1436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)-c1c(sn(-c3ccccc3)c1=S)C(C)(C)N2,MLS000566536-01,18,5.6045,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)cc1,MLS000557696-01,18,5.6131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)c1,MLS000562233-01,18,5.6131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(N3C(=N)SCC3=O)n2)cc1,MLS000566476-01,18,2.8333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nn1c(Cc2cccc3ccccc23)nnc1SCn1nnc2ccccc2c1=O,MLS000566087-01,18,2.5906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccc(Cl)c(Cl)c1,MLS000375427-01,18,5.335,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNC1=NN=C(c2ccc(C)cc2)CS1,MLS000565792-01,18,2.4114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)N1CCc2ccccc21,MLS000565681-01,18,3.0456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)N1CCc2ccccc21,MLS000098813-01,18,3.1124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)cc1,MLS000565611-01,18,3.1381,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1-n1nnc2ccccc21,4781080,18,3.1295,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1-n1nnc2ccccc21,3400335,18,4.1483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)C(c2ccccc2)N1,MLS000564968-01,18,5.2187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC2=C(C(=O)c3ccccc32)C(c2ccccc2)N1,MLS000089719-01,18,2.6481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1,MLS000564978-01,18,5.2273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)c(OC)c1,MLS000564941-01,18,5.0321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1OC,MLS000536636-01,18,5.0321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1,MLS000536646-01,18,5.0235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2Cc2ccccc2)cc1,MLS000564362-01,18,3.6585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,MLS000081765-01,18,2.6996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc(-c3nc4c(c(=O)[nH]c(=O)n4Cc4ccccc4)n3C)o2)c([N+](=O)[O-])c1,MLS000335084-01,18,3.3154,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12,MLS000564349-01,18,4.102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)ccc1C,MLS000564379-01,18,4.7666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccc(Br)cc3)sc2c1,MLS000563922-01,18,4.465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1,MLS000563920-01,18,4.6215,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2,MLS000536057-01,18,5.8261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(=O)NC1CCCCC1,MLS000570903-01,18,4.0549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1,MLS000563834-01,18,4.0846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCCNc1cc(N2CCCCC2)ccc1[N+](=O)[O-],MLS000562639-01,18,4.3844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1,MLS000582993-01,18,4.0752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)CCC4)s2)c1,MLS000563393-01,18,4.7532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)CCC2,MLS000556072-01,18,4.5839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCN(C(=O)COc2ccccc2)c2nc(-c3ccccc3)cs2)cc1OC,MLS000560244-01,18,5.482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(N(CCc3ccc(OC)c(OC)c3)C(=O)COc3ccccc3)n2)cc1,MLS000551110-01,18,5.4906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1,MLS000560242-01,18,5.4223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc(OC)cc1,MLS000559395-01,18,4.4146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc(C#N)cc1,MLS000559326-01,18,4.2777,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(NN=Cc2ccccn2)SC1Cc1cccc(SC(F)F)c1,MLS000558858-01,18,3.5605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(N/N=C/c2ccc3ncccc3c2)SC1Cc1ccc(SC(F)F)cc1,16237320,18,4.7137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nc(NCC3CCCO3)c3oc4ccccc4c3n2)cc1,MLS000558493-01,18,5.0557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2ccc3c(c2)c2c4n3CCN=C4CCC2)cc1,MLS000557562-01,18,3.9513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC1CN=C2CCCc3c2n(c2ccc(Cl)cc32)C1,MLS000099162-01,18,2.7946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1cc2c(cc1C1CCCCC1)c1c3n2CCN=C3CCC1,MLS000526665-01,18,4.828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C[n+]2cc(Br)cc(Br)c2)cc1[N+](=O)[O-],MLS000557162-01,18,0.6026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1/C=C/c1ccccc1,MLS000556899-01,18,2.8489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1/C=C/c1ccccc1OC,MLS000037076-01,18,3.2476,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(F)c1,MLS000077828-01,18,3.0374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1C,MLS000556840-01,18,4.4116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c(C)c1,MLS000518931-01,18,4.7201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1,MLS000556263-01,18,4.4116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)NCc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3,MLS000556606-01,18,3.5239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)N4CCCCC4)c(N)c23)CO1,NCGC00085814-01,2,3.1925,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1c(C(=O)O)sc2nc(-c3ccccc3)c3c(c12)CCCC3,MLS000587096-01,18,4.1225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,MLS000556528-01,18,4.6247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,NCGC00084861-01,2,2.3871,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)c2cc3cc4cc(C)ccc4nc3s2)c1,MLS000556108-01,18,6.0804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2cc3cc4cccc(C)c4nc3s2)c1C,MLS000555720-01,18,6.0804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc3cc(C(=O)N(CC(=O)NC4CCCC4)c4cccc(C)c4C)sc3nc2c1,MLS000555813-01,18,6.0804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,MLS000555656-01,18,4.7868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(C(S)=Nc3cccc(C)c3)CC2)cc1,MLS000555655-01,18,3.7431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(CC)sc1NC(=O)C(c1ccccc1)c1ccccc1,MLS000555484-01,18,5.2578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1,MLS000579843-01,18,3.3929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1,MLS000555427-01,18,2.0248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1,646956,18,2.897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1,MLS000555428-01,18,2.4133,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc(C=NNC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c(Cl)nc2c1,MLS000555064-01,18,5.2437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2ccc3c(c2c1)N=C[C@]1(O3)N(C)c2ccccc2C1(C)C,MLS000554946-01,18,5.067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2ccc3c(c2c1)N=CC1(O3)N(C)c2ccccc2C1(C)C,MLS000526361-01,18,5.067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1c2ccccc2C(C)(C)C12C=Nc1c(ccc3ccccc13)O2,MLS000554429-01,18,5.0584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c(O)c1,MLS000554625-01,18,4.6429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(O)c(C=Nc2sc(C)c(C)c2C#N)c1,MLS000530296-01,18,3.7014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C=Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1O,MLS000554610-01,18,4.9427,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCSC1(SCCCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=C(C)C12C#N,MLS000554246-01,18,5.736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC3=C(CCC3)C12C#N,MLS000079613-01,18,4.3197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=C(C)C12C#N,MLS000079614-01,18,4.1756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCc1cc2cc(C(=O)Nc3cccc(OC)c3)c(=O)oc2cc1O,MLS000553830-01,18,4.8823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCc1cc2cc(C(=O)NC)c(=N)oc2cc1O,MLS000079478-01,18,3.1003,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,MLS000553715-01,18,4.4756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOc1cccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1,MLS000553714-01,18,4.4756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1c(C)cc(C=NNc2ccc([N+](=O)[O-])cn2)c1C,MLS000552476-01,18,4.1518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(c1ccccc1)c1ccco1)Nc1nccs1,MLS000552449-01,18,3.8968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2ccc(C=NNC(=O)CN3CCCC3)o2)cc1Cl,MLS000552422-01,18,3.4543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(C(=O)C(F)(F)F)C(C(=O)NC2CCCCC2)c2ccncc2)cc1C,MLS000552309-01,18,4.7839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(N2CCN(c3ccccc3)CC2)nc2c1CCCC2,MLS000552057-01,18,2.3876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1-c1nc(O)c2c(n1)CCCC2,MLS000039920-01,18,2.4336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CCCCC2,MLS000044642-01,18,4.0909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2)[nH]n1,MLS000551945-01,18,3.4637,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)[nH]n1,MLS000562344-01,18,4.2262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c3ncn(CCC4=CCCCC4)c(O)c-3nc2c1,MLS000551531-01,18,4.1408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(CCCC)CCn1cnc2c3cc(OC)ccc3nc-2c1O,NCGC00085661-01,2,4.1525,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1c2nc3ccccc3c-2ncn1CCC1=CCCCC1,MLS000078419-01,18,4.1322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2Sc3nc(O)sc3C(c3ccccc3)C2C(=O)N1c1ccccc1,MLS000551376-01,18,3.6445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc2c(s1)C(c1ccccc1)C1C3CCC(C3)C1S2,NCGC00046333-01,2,4.501,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2c3sc(O)nc3SC3C(=O)N(c4ccccc4)C(=O)C32)cc1,NCGC00085817-01,2,3.6531,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(C(=O)N2CCN(C3c4cccc5cccc(c45)C3NS(=O)(=O)c3ccccc3)CC2)cc1,MLS000551367-01,18,4.6805,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(N2Cc3ccccc3C2)c1,MLS000550159-01,18,3.224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2Cc3ccccc3C2)cc1Cl,MLS000114643-01,18,3.8688,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1N1Cc2ccccc2C1,MLS000535524-01,18,3.6055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2c3cc(Cl)ccc3Oc3nc4ccccc4nc32)cc1,MLS000549938-01,18,4.9245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2Oc2nc3ccccc3nc21,MLS000549936-01,18,4.9159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccccc1)N1c2cc(Cl)ccc2Oc2nc3ccccc3nc21,MLS000549937-01,18,4.9159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(S)=Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1,MLS000549795-01,18,4.6621,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cc2nc(CCl)cs2)cc1,MLS000388660-01,18,3.7933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)Cc1csc(N=C(S)Nc2ccc(C)cc2)n1,MLS000560965-01,18,4.6707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,MLS000548651-01,18,5.0046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2CN(c3ccc(F)cc3F)N=C2c2cccs2)c1OC,MLS000548511-01,18,5.0516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1CN(c2ccccc2)N=C1c1cccs1,MLS000532087-01,18,4.7648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1CN(c2ccc(F)cc2F)N=C1c1cccs1,MLS000532425-01,18,5.043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)Cn2c(O)c(N=NC(=O)c3ccccc3O)c3ccccc32)c1,MLS000548432-01,18,4.9237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(/C=C/c2ccccc2)(C(=O)NC2CCCC2)N1c1ccc(S(=O)(=O)N2CCCC2)cc1,MLS000548384-01,18,3.7188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(N2C(=O)CC2(/C=C/c2ccccc2)C(=O)NC2CCCC2)cc1,MLS000548380-01,18,3.1846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(N2C(=O)CC2(/C=C/c2ccccc2)C(=O)NC2CCCC2)cc1,MLS000548383-01,18,3.9648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)NCc2ccco2)cc1,MLS000547957-01,18,4.7773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(Cl)c(C)cc1NC(=O)CSCC#N,MLS000547946-01,18,2.8523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)CC(Sc3nc4ccccc4o3)C2=O)cc1Cl,MLS000545909-01,18,4.2138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)CC(Sc3nc[nH]n3)C2=O)cc1C,MLS000528823-01,18,1.8457,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(N2C(=O)CC(Sc3nc4ccccc4o3)C2=O)cc1,MLS000545908-01,18,4.3754,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)Nc1ccccc1,MLS000545769-01,18,5.6751,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1C=NNc1nc2c(s1)CCCC2,MLS000544495-01,18,4.1213,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nnn(Cc3nnc(NC(=O)c4ccccc4)s3)n2)c1,MLS000544172-01,18,2.8006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)nc2ccccc21,MLS000543685-01,18,4.6971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCc2ccc(C(=O)Nc3nc4ccccc4n3Cc3ccccc3)o2)c([N+](=O)[O-])c1,MLS000325318-01,18,5.7255,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccc(COc2ccccc2[N+](=O)[O-])o1,MLS000543610-01,18,5.4171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCCCn1cc(C(C)=O)c(=O)[nH]c1=O,MLS000543523-01,18,2.4898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCn1cc(C(=O)O)c(=O)c2ccccc21,MLS000038054-01,18,3.28,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cn(CCCCCCCCCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O,MLS000543530-01,18,1.6128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CO/C(O)=C(\C=Nc1cccc(Cl)c1C)c1ncc(C(F)(F)F)cc1Cl,MLS000540882-01,18,5.9911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCO/C(O)=C(/C=Nc1ccccc1C(F)(F)F)Sc1ncc(C(F)(F)F)cc1Cl,MLS000540262-01,18,7.0308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CON/C=C(\C=Nc1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl,MLS000546331-01,18,5.955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1,MLS000540709-01,18,3.5528,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Cc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccc2)n1)c1ccccc1,MLS000540314-01,18,5.9221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1,MLS000326227-01,18,5.2169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1,MLS000540313-01,18,5.2687,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(C(F)(F)F)c(C=NOC(=O)c2ccccc2)c1Sc1ccc(Cl)cc1,MLS000539542-01,18,5.4344,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1Sc1c(C=NOCc2ccc(Cl)cc2)c(C(F)(F)F)nn1C,MLS000539546-01,18,5.5808,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1ccc(Cl)cc1,MLS000538873-01,18,3.5738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(-c2ccoc2)n1-c1ccccc1,MLS000538320-01,18,3.6457,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-n1c(-c2ccoc2)nc2ccccc2c1=O,MLS000066133-01,18,3.6543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C/C2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C(C)(C)c2ccccc21,MLS000537970-01,18,3.7858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C/C2CC(=O)N(c3cccc4ccccc34)C2=O)C(C)(C)c2ccccc21,MLS000537968-01,18,5.0308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccccc1NC(=O)Nc1cccc(Cl)c1Cl,MLS000537705-01,18,5.3593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1C(=O)C(=O)Nc1cccc(Cl)c1Cl,MLS000327154-01,18,3.1533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1,MLS000537005-01,18,3.2712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C(=O)NCc2cccc3ccccc23)ccc1OCc1ccccc1,MLS000536902-01,18,5.3574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1ccc2[nH]c3nc4ccccc4c-3nc2c1,MLS000583946-01,18,4.1545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(-n3nnc4ccccc43)c3ccccc23)cc1,MLS000536729-01,18,4.3391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)c3ccccc23)cc1,MLS000064125-01,18,2.6868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1,MLS000536413-01,18,6.1644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(C)[nH]c3ccccc23)cc1,MLS000536006-01,18,4.6399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2ccccc2c1C=NNc1ccc(F)cc1F,MLS000389967-01,18,4.2005,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(NN=Cc2c[nH]c3ccccc23)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1,MLS000536092-01,18,4.9763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C(=O)Nc2ccc(Cl)cc2)c1C,MLS000535396-01,18,5.6011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3CCc4ccccc4C3)ccc12,MLS000535224-01,18,4.2269,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1,MLS000534305-01,18,4.5483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=N/C(=C\c3cccs3)C(=O)N2Nc2ccccc2)cc1,MLS000533585-01,18,4.7135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2cccs2)N=C(c2cccs2)N1Nc1ccccc1,MLS000525843-01,18,4.4666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C/c2cccs2)N=C(c2cccs2)N1Nc1ccccc1,MLS000533211-01,18,4.4666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(CN2CCN(c3cccc(Cl)c3)CC2)coc2c(Cl)cc(Cl)cc12,MLS000532924-01,18,5.0754,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1,NCGC00084965-01,2,3.7122,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCN(Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1,MLS000532918-01,18,3.8749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2cnc(-c3ccccc3)nc2)cc1,MLS000532078-01,18,3.8106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2ncc(-c3ccccc3)cn2)cc1,MLS000532494-01,18,4.5731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2ncc3c(ccc4ccccc43)n2)cc1,MLS000583364-01,18,4.45,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1F,MLS000531434-01,18,2.7891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Cl)cc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1,MLS000530553-01,18,5.5265,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)[nH]n1,NCGC00085838-01,2,4.1027,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1ccccc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1,MLS000038761-01,18,4.8731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCn1c(=NC(=O)c2ccc(Cl)s2)sc2cccc(OC)c21,MLS000530135-01,18,3.8006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)s1,MLS000529654-01,18,4.874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2ccn(CC(=O)NC3CCCCC3)c2c1,MLS000529392-01,18,2.8768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nc(N)c(C#N)c(-c2cccc3ccccc23)c1C,MLS000529077-01,18,4.2265,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C,MLS000539999-01,18,3.2124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C,MLS000540000-01,18,3.4727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C(=O)SC(CC(=O)Nc2cccc3ccccc23)C1=O,MLS000528500-01,18,3.6424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1SC(=O)N(Cc2cccc3ccccc23)C1=O)Nc1nccs1,MLS000324975-01,18,3.8891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1C,MLS000528223-01,18,2.2966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1C,MLS000528239-01,18,2.0398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCc1nc(N)c(C#N)c(-c2ccco2)c1CCCC,MLS000527633-01,18,4.8708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1nc(N)c(C#N)c(-c2ccco2)c1CCC,1898363,18,4.0906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)c4ccc(C)c(C)c4)o3)cs2)cc1,MLS000526397-01,18,5.851,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2CC(c3cccs3)=Nc3ccccc3S2)cc1,MLS000526332-01,18,6.1146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1CC(c2cccs2)=Nc2ccccc2S1,MLS000541320-01,18,6.1146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(F)cc1,MLS000526280-01,18,3.0479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NN(CN3C(=O)C(=O)c4ccccc43)C(c3ccc(Br)cc3)C2)cc1,MLS000526026-01,18,4.7958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)C(=O)NN=Cc1ccccc1C(F)(F)F,MLS000525913-01,18,2.5144,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOC(=O)c1c(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)sc(C(=O)OC)c1C,MLS000525459-01,18,5.2095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1)N1CC=C(c2ccccc2)CC1,MLS000522946-01,18,4.0919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(c2c(NCc3ccc(C(=O)N4CCc5ccccc54)cc3)c(=O)c2=O)CC1,MLS000522727-01,18,3.3339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(CNc2c(NC3CCCCC3)c(=O)c2=O)cc1)N1CCc2ccccc21,MLS000522730-01,18,3.8422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1cc(C(=O)Nc2cc(Br)ccc2O)no1,MLS000521700-01,18,3.5184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl,MLS000521279-01,18,4.0505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C)C(=O)N(CC)CC,MLS000046028-01,18,4.3586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C,MLS000521276-01,18,3.6279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2=CC(c3cc(Br)ccc3F)n3ncnc3N2)cc1,MLS000521242-01,18,4.7981,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1C1C=C(c2cccc(Br)c2)Nc2ncnn21,MLS000046914-01,18,4.4665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(Br)cc1C1C=C(c2ccc(Br)cc2)Nc2ncnn21,MLS000521236-01,18,4.9982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1)N1CCc2ccccc21,MLS000520760-01,18,4.3771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)NC(=O)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1,MLS000095273-01,18,3.3124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCn1c(=S)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc2c1=O,MLS000095519-01,18,2.9084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1CC(=O)NN=Cc1c2ccccc2cc2ccccc12,MLS000519034-01,18,4.0243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1CC(=O)NN=C/C(Cl)=C/c1ccccc1,MLS000594893-01,18,2.9495,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CC[n+]1c(-c2ccc(C)cc2)csc1NNC(=O)Nc1ccccc1,MLS000518923-01,18,1.3496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CC[n+]1c(-c2ccc(OC)cc2)csc1NNC(=O)Nc1ccccc1,MLS000518921-01,18,1.0498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CC[n+]1c(-c2ccc(OCC)cc2)csc1NNC(=O)Nc1ccccc1,MLS000518922-01,18,1.4399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1,MLS000418825-01,18,3.6356,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1,MLS000418644-01,18,5.3397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(F)cc1,MLS000401603-01,18,4.9178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccc(F)cc1,MLS000417035-01,18,4.5949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(F)cc1,MLS000418577-01,18,6.0404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1Cc1ccco1,MLS000055148-01,18,5.4899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1C(C)=CC(=C(C#N)c2nc3ccccc3s2)C=C1C,MLS000418547-01,18,5.9099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N1CCc2ccccc21,MLS000417961-01,18,5.2755,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1ncc(Cl)cc1Cl,MLS000417747-01,18,6.0267,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cc2cnc(N3C(=N)SC(c4ccccc4)C3=O)s2)cc1,MLS000417919-01,18,4.7982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1SC(c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2Cl)s1,MLS000335826-01,18,5.1432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cc2cnc(N3C(=N)SC(c4ccccc4)C3=O)s2)c1,MLS000335827-01,18,4.7982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1sc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1C,MLS000417723-01,18,3.8296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1sc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1C,MLS000570722-01,18,5.5149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1,MLS000417615-01,18,5.2093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)c2ccccc2)c1,MLS000402311-01,18,5.5172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1,MLS000702062-01,18,4.4859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C=NNc2cccc([N+](=O)[O-])c2)c(O)c1,MLS000417387-01,18,3.5352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(CC)=NNc1cccc([N+](=O)[O-])c1,MLS000390196-01,18,3.1827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C=NNc2ccccc2[N+](=O)[O-])c(OCCC)c1,MLS000394881-01,18,4.6184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)OCc2nc(O)c3c(-c4ccccc4)csc3n2)cccc1[N+](=O)[O-],MLS000417350-01,18,4.6375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1nc(O)c2c(-c3ccccc3)csc2n1,MLS000339514-01,18,4.5617,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1nc(O)c2c(-c3ccccc3)csc2n1)c1cc([N+](=O)[O-])ccc1Cl,MLS000393446-01,18,4.9825,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1,MLS000417137-01,18,5.7533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1,MLS000417093-01,18,4.4911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)Nc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1,MLS000416313-01,18,6.6584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc23)cc1,MLS000587976-01,18,6.6498,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1,MLS000409375-01,18,4.1911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1,MLS000409241-01,18,3.7902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)C(c2ccccc2)N2CCN(C=O)CC2)cc1,MLS000086424-01,18,3.2638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=O)CC2SC(=NS(=O)(=O)c3ccccc3)N(c3ccccc3)C2=O)c1,MLS000409219-01,18,3.9173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC2SC(=O)N(c3ccccc3)C2=O)c1,NCGC00085630-01,2,3.3332,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(N=C2SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1,MLS000388714-01,18,5.1021,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)C(C)OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1,MLS000408995-01,18,3.7408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C(=O)CSc2nnc(NCc3ccccc3)s2)C(C)(C)c2ccccc21,MLS000408975-01,18,5.1229,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nnc(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)s2)cc1,MLS000375202-01,18,5.263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C(=O)CSc2nnc(N)s2)C(C)(C)c2ccccc21,MLS000391537-01,18,3.093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(Cl)cc1,MLS000402479-01,18,4.5482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Oc1ccc(-c2cccc(C(=O)OCC(=O)Nc3ccccc3Oc3ccccc3)c2)cc1,MLS000402426-01,18,5.8667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1,MLS000335279-01,18,6.2346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(-c2ccc(OC(C)=O)cc2)c1,MLS000390663-01,18,5.1992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1C,MLS000402398-01,18,3.8743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1,MLS000401581-01,18,6.0454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1SC(=Nc2ccc(OC(F)F)cc2)N(CCC2=CCCCC2)C1=O)Nc1ccccc1F,MLS000394959-01,18,6.2779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1N=C1SC(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1,MLS000394918-01,18,5.9533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nc(N)cc(O)n2)c(C)n1-c1cccc(F)c1,MLS000394144-01,18,3.286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1cccc(C(F)(F)F)c1,MLS000334399-01,18,4.0423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N2CCOCC2)c1,MLS000394128-01,18,2.0814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N1CCOCC1)N1CCN(c2ccccc2F)CC1,NCGC00084846-01,2,1.3999,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)Nc1ncc(Cl)cc1Cl,MLS000393701-01,18,4.9772,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2c(sc3nc(CSc4n[nH]c(N)n4)nc(O)c23)C1,MLS000393330-01,18,2.5143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCOCc1nc(O)c2c3c(sc2n1)CC(C)CC3,MLS000123804-01,18,4.0844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(C=NNC2=Nc3cccc4cccc2c34)cc1,MLS000392852-01,18,4.5086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1C=NNC1=Nc2cccc3cccc1c23,MLS000392773-01,18,4.5086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=NNC1=Nc2cccc3cccc1c23)c1ccccc1,MLS000392783-01,18,3.8552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)c1,MLS000392457-01,18,3.3771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CSC(Nc2ccc(C(=O)/C=C/c3ccc(Oc4ccccc4)cc3)cc2)=N1,MLS000392117-01,18,6.6683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)c1ccc(NC2=NCCCS2)cc1,MLS000375456-01,18,4.4875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Br)cc1)c1ccc(NC2=NCCCS2)cc1,MLS000391412-01,18,5.25,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(C)c(=O)c21,MLS000391620-01,18,2.8337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(C)c(=O)c21,MLS000389744-01,18,3.2238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(CC)c(=O)c21,MLS000389745-01,18,3.3166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1ccccc1,MLS000391289-01,18,4.4041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(C)(C#N)NC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1ccccc1,MLS000334071-01,18,5.459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc3ncnc(Oc4cccc5ccc(C)nc45)c23)cc1,MLS000390891-01,18,6.3156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cccc(Oc3ncnc4scc(-c5ccc(Cl)cc5)c34)c2n1,MLS000402406-01,18,6.6606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc3ncnc(Oc4ccc5c(C)cc(=O)oc5c4)c23)cc1,MLS000418081-01,18,5.8738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cn(-c2cccs2)nc1-c1ccccc1)c1ccccc1Cl,MLS000390836-01,18,5.0181,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2nncc2C(C)(C)C)cc1,MLS000390716-01,18,4.2173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C(C(=O)O)C(=O)O,MLS000577018-01,18,2.1024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)COC(=O)/C=C/c2cccc(Br)c2)cc1,MLS000389657-01,18,4.7676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)Nc1ccccc1[N+](=O)[O-],MLS000389460-01,18,2.5815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCc1ccc(F)cc1,MLS000389341-01,18,3.8948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)s1,MLS000389231-01,18,3.5019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1Nc1nnc(SCC(=O)NC(=O)c2cccn2C)s1,MLS000334429-01,18,3.0676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2c(c1)OCC(CNc1ncnc3sccc13)O2,MLS000389009-01,18,2.9432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2cc3c(NCC4COc5ccccc5O4)ncnc3s2)cc1,ZINC2632466,16,4.6102,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+c1ccc(-c2cc3c(NCC4COc5ccccc5O4)ncnc3s2)cc1,MLS000334999-01,18,4.6102,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc3ccccc3n2)cc1OC,MLS000388895-01,18,5.5507,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnnc2SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1,MLS000388819-01,18,5.1683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1nnc(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1C,MLS000335147-01,18,5.6883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-c2nnc(SC(C(=O)c3c[nH]c4ccccc34)c3ccccc3)n2C)c1,MLS000335167-01,18,5.6883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1cccc(C=NN=C(S)Nc2ccccc2Cl)c1,MLS000375205-01,18,4.2109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)Oc1ccc(C=NN=C(S)Nc2cc(C(F)(F)F)ccc2Cl)cc1,MLS000392454-01,18,5.692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(C=NN=C(S)Nc2ccc(Cl)cc2)cc1F,MLS000408952-01,18,4.35,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12,MLS000374862-01,18,5.0537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1Cc1ccccc1)c1oc2ccccc2c1COc1ccccc1,MLS000336527-01,18,6.8549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1,MLS000336334-01,18,3.3823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1C,MLS000336291-01,18,3.8072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CCCC1,MLS000336284-01,18,5.7288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)C23CC4CC(CC(C4)C2)C3)sc1Cc1ccc2c(c1)OCO2,MLS000336118-01,18,4.9259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1,MLS000335811-01,18,5.0798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)c1,MLS000335761-01,18,4.6897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1,MLS000335502-01,18,3.6654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(NCc2ccc3c(c2)OCO3)[nH]c(=O)n1-c1ccc(Cl)cc1,MLS000045877-01,18,2.52,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)c(O)c1,MLS000417049-01,18,2.4232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc(C)c1C,MLS000335348-01,18,3.5656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NC1CCCCC1,MLS000335050-01,18,3.7211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCC1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O,MLS000334915-01,18,3.9671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc4c(c2)OCO4)CCC3)cc1,MLS000334904-01,18,4.7348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1OC(F)F)c1cc2c(s1)CCC2,MLS000334610-01,18,4.0905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc2c(C(=O)CSc3nnc(-c4ccncc4)n3C)c[nH]c12,MLS000334476-01,18,3.8958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(OCC2CCCO2)cc1,MLS000334104-01,18,4.8984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(OCC2CCCO2)cc1,MLS000391427-01,18,5.927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(C)nc(N=C(N)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1,MLS000332367-01,18,2.0795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccccc2)cn2c(nc3ccccc32)c1C#N,MLS000331944-01,18,3.9199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1,MLS000331673-01,18,4.3202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2cccc(Cl)c2)cn2c(nc3ccccc32)c1C#N,MLS000331875-01,18,4.5733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1,MLS000331843-01,18,4.9456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)c1,MLS000331825-01,18,4.9456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn2c(Nc3ccccc3)c3c(nc2c1-c1ccccc1)CCC3,MLS000331836-01,18,4.937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C=NNC(=O)c2cc3c(OC)cccc3[nH]2)c1O,MLS000331773-01,18,2.6546,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C=NNC(=O)c2[nH]nc3c2CCc2ccccc2-3)c1O,MLS000585493-01,18,2.6534,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(-c2cc3ccccc3oc2=O)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1,MLS000331470-01,18,4.984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Nc1nnc(/C=C/c2ccccc2)s1,MLS000331419-01,18,2.8868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1,MLS000331198-01,18,4.8288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1,MLS000331178-01,18,4.7197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl,MLS000331188-01,18,5.3731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Cn2cnc3c(NS(=O)(=O)c4ccc(Cl)cc4)c(C)c(C)cc32)c1,MLS000327990-01,18,5.1642,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Cn2cnc3c(NS(=O)(=O)c4cccc(Cl)c4Cl)c(C)c(C)cc32)c1,MLS000327960-01,18,5.8176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Cn2cnc3c(NS(=O)(=O)c4cc(Cl)ccc4Cl)c(C)c(C)cc32)c1,MLS000327970-01,18,5.8176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(Cl)cc(Sc2ccc3ccccc3c2)n1,MLS000326190-01,18,4.0166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(Cl)cc(Sc2ccc(F)cc2)n1,MLS000325924-01,18,3.0025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Sc2cc(Cl)nc(N)n2)cc1,MLS000326180-01,18,3.1718,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CS(=O)(=O)c2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1,MLS000326030-01,18,5.3393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Cc1ccc(Cl)cc1)c1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1,MLS000326000-01,18,5.6843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(-c3ccccc3S(=O)(=O)Cc3ccc(Cl)cc3)o2)cc1,MLS000326010-01,18,5.3393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)c2ccc(C3SCC(=O)N3CCc3ccccc3)cc2)cc1,MLS000324990-01,18,5.318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)CCCN1C(=O)CSC1c1ccccc1,NCGC00085690-01,2,2.2123,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NC(=O)c2ccc(C3SCC(=O)N3CCc3ccccc3)cc2)c1C,MLS000544780-01,18,5.3724,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(/C=C/C(=O)NC2=NCCS2)cc1,MLS000324767-01,18,3.0422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(/C=C/C(=O)NC2=NCCS2)cc1,MLS000545779-01,18,3.2163,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(/C=C/C(=O)Nc2nncs2)cc1,MLS000683802-01,18,3.3134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(C)s1,MLS000324626-01,18,5.5364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21,MLS000254478-01,18,3.7107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C=Nn2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21,MLS000254477-01,18,4.4989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2c3c(sc2ncn1N=Cc1ccc([N+](=O)[O-])o1)CCCC3,MLS000526956-01,18,2.7202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc2N1S(C)(=O)=O,MLS000124062-01,18,3.7019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc21,MLS000067506-01,18,3.3134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(C(c3nnnn3C3CCCC3)N(Cc3ccco3)Cc3cccs3)c(O)nc2c1,MLS000122951-01,18,5.7967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,MLS000122270-01,18,4.449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccccc1.OC(CNCC1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21,MLS000525403-01,18,5.6156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC(CNCc1ccco1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,MLS000525994-01,18,5.0632,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(N2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)nc2ccccc21,MLS000122045-01,18,3.3737,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)Cc1cccs1,MLS000121367-01,18,2.0259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C(=O)N1c2ccccc2CCc2ccccc21)n1nnc(-c2ccc(N(C)C)cc2)n1,MLS000121356-01,18,4.4306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C(=O)N1c2ccccc2Sc2ccccc21)n1nnc(-c2cccs2)n1,MLS000077099-01,18,4.7921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(Nc1ccc2snnc2c1)N1CCN(c2ccccn2)CC1,MLS000121166-01,18,2.6053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(C#N)cc2c1,MLS000121126-01,18,3.6951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCCC1,MLS000119720-01,18,2.3689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2ccc(C(=O)N3CCSCC3)cc2s1,MLS000063755-01,18,2.7937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(=O)n(Cc2ccc3c(c2)OCO3)c(=Nc2ccccc2)s1,MLS000118456-01,18,2.7058,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(=O)n(Cc2ccc3c(c2)OCO3)c(=Nc2ccc(F)cc2)s1,MLS000522594-01,18,2.8449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1,NCGC00102616-01,18,5.5344,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2nnc3sc(CNCc4ccc5c(c4)OCO5)cn23)cc1,MLS000116434-01,18,4.2388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2nnc3sc(CNC4CCCC4)cn23)cc1,NCGC00085357-01,2,4.2525,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Brc1ccc(-c2nnc3sc(CNCc4ccc5c(c4)OCO5)cn23)cc1,NCGC00085359-01,2,4.2388,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+c1ccc(Cc2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1,MLS000115747-01,18,3.2148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1,MLS000115438-01,18,4.5026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1,NCGC00085804-01,2,3.0691,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1,MLS000115434-01,18,3.9464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12,MLS000114650-01,18,3.6422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12,MLS000063478-01,18,3.2521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1nc(CCC(C)C)cc2c1c(=O)oc1ccccc12,MLS000064050-01,18,3.8882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1,MLS000111214-01,18,3.5939,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(-c2csc(Nc3ccc(F)cc3F)n2)cc1O,1_12,1,4.2431,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Oc1ccc(-c2csc(Nc3ccc(F)cc3F)n2)cc1O,MFCD00955233,9,4.2431,"McGovern SL, Helfand, BT, Feng, B and Shoichet BK, J Med Chem, 46, 4265-4272 (2003)"
+Cc1c(Cc2ccccc2)sc(N)c1C(N)=O,MLS000108968-01,18,2.3284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2ccc(-c3nc(-c4ccncc4)no3)cc2)cc1,MLS000107909-01,18,4.4656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1,MLS000061663-01,18,4.0961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2S(=O)(=O)N1CC(O)Cn1c2ccccc2c2ccccc21,MLS000107433-01,18,3.0001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O,NCGC00084993-01,2,-0.4229,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2S(=O)(=O)N1CC(O)Cn1ccc2ccccc21,MLS000051395-01,18,1.8469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=Nn2cc(-c3ccccc3)nc2N)cc1,MLS000106781-01,18,3.0231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=Nn2c(N)nc(-c3ccccc3)c2-c2ccccc2)cc1,MLS000554834-01,18,4.6901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(N=Cc2ccc(O)c(O)c2)cc1,MLS000105957-01,18,2.554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1/C=N/c1ccc(O)cc1,NCGC00078840-01,2,3.5127,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1ccc(/N=C/c2ccc(O)c(O)c2)cc1,NCGC00079242-01,2,2.554,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CN1C(=O)CCC1=O)Nc1nc(-c2nc3ccccc3s2)cs1,MLS000102878-01,18,2.5073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1nc(SCC(=O)NCc2ccco2)c2c(=O)n(C)c(=O)n(C)c2n1,MLS000102241-01,18,0.9812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c2c(SCC(=O)NCc3ccco3)nc(-c3ccccc3Cl)nc2n(C)c1=O,NCGC00134207-01,18,2.3491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccc(F)cc3)cn12,MLS000102104-01,18,4.1576,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NCC(C)C)sc2nc(-c3ccc(F)cc3)cn12,MLS000102098-01,18,3.8961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)N1CC=C(c2ccc(F)cc2)CC1,MLS000100266-01,18,4.1469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(F)c1)N1CC=C(c2ccc(Cl)cc2)CC1,MLS000541579-01,18,4.8003,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(Nc2n[nH]c(COc3ccccc3)n2)n1,MLS000100164-01,18,2.5341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(Nc2n[nH]c(Cc3ccccc3)n2)n1,MLS000063980-01,18,2.5459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(Nc2n[nH]c(COc3ccc(Cl)cc3)n2)n1,MLS000084239-01,18,3.1875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)nc1,MLS000099657-01,18,4.0325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)COc2ccc3oc4ccccc4c3c2)no1,MLS000055074-01,18,3.8999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cccc(Br)c1,NCGC00100155-01,18,5.0916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2cccc(Cl)c2)CC1,MLS000096904-01,18,3.8022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1,MLS000049241-01,18,4.1106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c1C,MLS000095655-01,18,4.8437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCc3ccco3)sc2=S)cc1,MLS000095468-01,18,3.5502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(N)c(C(=O)NCc2ccco2)sc1=S,MLS000085349-01,18,2.4042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(=S)n(-c2ccc(F)c(F)c2)c1N,MLS000095493-01,18,3.3054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)CCCCCn2c(SCC#N)nc3cc4c(cc3c2=O)OCO4)cc1,MLS000095404-01,18,3.6263,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccccc1,NCGC00071059-01,2,2.7612,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#CCSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccccc1,MLS000095314-01,18,2.7612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2nnc(C(=O)NC3CCCc4ccccc43)c2N)c1,MLS000094763-01,18,2.9653,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2c3sc(O)nc3SC3C4CCC(C4)C23)cc1,MLS000094210-01,18,4.5096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2ccsc2n1CC(=O)Nc1cc(C)cc(C)c1,MLS000093497-01,18,3.7449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(N(C)C)cc1,MLS000093494-01,18,3.1941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2ccsc2n1Cc1nc(-c2cccc(Cl)c2)oc1C,MLS000522689-01,18,5.1545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)Nc3cccc(OC)c3)ccc21,MLS000093083-01,18,2.0124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)[nH]c(=O)n2C,MLS000093025-01,18,0.8876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC,MLS000091318-01,18,3.3889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1CN1CCN(CC(=O)NCc2ccccc2)C1=O,MLS000045962-01,18,2.549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(O)=C1C(C)=Nc2ncnn2C1/C=C/c1ccccc1,MLS000089169-01,18,3.4447,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC1CCCO1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,MLS000086780-01,18,1.8413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1,MLS000084067-01,18,3.5652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2sc2nc(C3CCCCC3)n(Cc3ccco3)c(=O)c12,666915,18,4.6604,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)c1,MLS000083936-01,18,3.7052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)c1,NCGC00071270-01,2,3.7052,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(CCNC(=O)c2cc(-c3cc(C)c(C)cc3O)[nH]n2)cc1OC,MLS000042702-01,18,3.3888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)c1,MLS000083134-01,18,2.9315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1NC(=O)CCC(=O)Nc1nnc(C(F)(F)F)s1,MLS000558621-01,18,3.2313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1cccs1,MLS000082820-01,18,3.6824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1nc(-c2ccccc2)ccc1-c1noc(COc2ccccc2)n1,MLS000082773-01,18,4.7763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1Nc1ncnc2c1oc1ccccc12,MLS000082648-01,18,4.247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2c(c1)oc1c(Nc3ccc4c(c3)OCO4)ncnc12,MLS000040695-01,18,4.2701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(O)c(CN2CCCC2)cc2c1oc(=O)c1ccccc12,MLS000081529-01,18,3.556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1nc2sc(=Cc3ccco3)c(=O)n2nc1Cc1ccc(F)cc1,MLS000080324-01,18,1.3818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1nc2s/c(=C/c3ccco3)c(=O)n2nc1Cc1ccc(F)cc1,NCGC00066790-01,2,1.3818,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4ccco4)sc3nc2=O)cc1,NCGC00071497-01,2,2.0315,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#CC1=C(SCC(=O)c2ccc(Br)cc2)N=C2CCCC(O)=C2C1c1ccco1,MLS000077785-01,18,5.9276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(C)=O)C(C)=N2)cc1,ZINC5020062,16,4.9566,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+N#CC1=C(SCc2ccccc2)N=C2CCCC(O)=C2C1c1ccc2c(c1)OCO2,MLS000036392-01,18,5.6181,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1,MLS000075542-01,18,1.0896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCN(C(=O)CN2C(=O)C(=O)c3ccccc32)CC1,NCGC00085821-01,2,1.4744,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1,MLS000073551-01,18,2.2403,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(CN(Cc3ccco3)C(c3nnnn3CCc3ccccc3)C(C)C)c(O)nc12,MLS000072528-01,18,5.4705,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(O)c(CN(CCc3ccccc3)C(c3nnnn3Cc3ccco3)C(C)C)cc2c1,NCGC00026736-01,2,5.3186,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1NC(c1ccco1)CC2C(F)(F)F,MLS000070708-01,18,4.1174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2[nH]c(=S)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,MLS000069510-01,18,5.9352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N/C=C\C(=O)C2C(=O)CC(C)(C)CC2=O)cc1,MLS000069282-01,18,2.7643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1N1CCCCC1)c1ncoc1-c1ccc(F)cc1,MLS000068051-01,18,4.7233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ocnc2C(=O)Nc2ccccc2N2CCCCC2)cc1,MLS000068083-01,18,4.5928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)cn1,MLS000065510-01,18,3.5487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1,MLS000064755-01,18,1.9684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1,MLS000062594-01,18,2.8179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccccc12,MLS000062162-01,18,4.0419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)CNc1ccccc1,MLS000060926-01,18,3.354,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1,MLS000058435-01,18,5.2139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(-n2nnnc2SCC(=O)NCCC2=CCCCC2)c1,MLS000058412-01,18,3.3779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(=O)c(C(=O)CN2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O,MLS000057510-01,18,2.2959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)nc(O)c2c1C,MLS000056466-01,18,6.055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nnnc2SCc2nc(O)c3c(C)c(C)sc3n2)cc1,MLS000394730-01,18,3.5902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CC1COc2ccccc2O1,MLS000054300-01,18,4.5629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1[nH]nc2ccccc12)NC(=O)NC12CC3CC(CC(C3)C1)C2,MLS000053698-01,18,2.5143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)oc1C,MLS000053627-01,18,5.1859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(c2cccc(C)c2C)CC1,MLS000053522-01,18,2.7286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1F)c1cc2ncc(Br)cn2n1,MLS000052724-01,18,3.0223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1,MLS000051809-01,18,3.8696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NCCCn2ccnc2)sc1-c1ccccc1,MLS000051698-01,18,3.7401,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3cc(Br)ccc3n2)o1,MLS000051230-01,18,4.5823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nccs1)c1ccc(CSc2nnnn2-c2ccccc2)cc1,MLS000050194-01,18,3.6634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SCc2ccc(C(=O)Nc3nccs3)cc2)nnc1-c1ccc(C)c(Cl)c1,MLS000581495-01,18,6.094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nccc(O)n1)Nc1ccc(F)c(Cl)c1,MLS000049749-01,18,2.7055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCc2nc3ccccc3s2)nnc1-c1ccc2c(c1)OCO2,MLS000049733-01,18,4.1128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1c(C)nnc1SCc1nc2ccccc2s1,MLS000098484-01,18,4.7861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(COC(=O)c3[nH]nc4ccccc34)cc(=O)oc2c1,MLS000048384-01,18,3.3347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(COC(=O)C34CC5CC(CC(C5)C3)C4)cc(=O)oc2c1,MLS000417176-01,18,4.361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(=O)cc(COC(=O)c3[nH]nc4ccccc34)c2cc1C,MLS000568149-01,18,3.6431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1CCN(S(=O)(=O)c2c(C)nc(O)nc2O)CC1,MLS000047057-01,18,0.16,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(Nc2ccc3c(c2)OCO3)[nH]c(=O)n1-c1ccc(Br)cc1,MLS000045897-01,18,2.7606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1Cc1ccc(F)cc1,MLS000045865-01,18,2.2388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)c(OC)c1,MLS000044088-01,18,3.9699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(c2ccco2)C3)c1OCc1ccc(F)cc1,MLS000043818-01,18,5.2148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC(=O)c1ccco1,MLS000043759-01,18,3.3222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)OC2=C(C(=O)CC(c3ccco3)C2)C1c1ccc(OCc2c(F)cccc2Cl)cc1,MLS000519526-01,18,5.8596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(N)nc(SCC(=O)c2ccc(C)cc2)c1C#N,MLS000043746-01,18,2.9358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1Cl,MLS000042789-01,18,4.2814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(C2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)oc(C)c32)cc1,NCGC00045298-01,2,4.3499,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(Cl)c2)CC1,MLS000041824-01,18,3.7863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1,MLS000040391-01,18,4.8926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(C(C)=O)c1c(Br)c(O)c(O)c2c(C(=O)c3ccc(C)cc3)coc12,MLS000040280-01,18,4.3816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(C(C)=O)c1c(Br)c(O)c(O)c2c(C(=O)c3ccc(C)cc3)coc12,NCGC00064356-01,2,4.3816,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(C(=O)c3ccccc3)coc12,MLS000040279-01,18,3.99,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(-c2ccco2)cc(-c2ccccc2)c1C#N,MLS000037821-01,18,4.6022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N,NCGC00077486-01,2,3.9392,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)NC(=O)C(C#N)C12CCCC2,MLS000037795-01,18,3.2741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(SCC(=O)Nc2cccc3cccnc23)NC(=O)C(C#N)C12CCCCC2,MLS000049736-01,18,3.8618,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)CC(=O)Nc1nnc(-c2cccs2)s1,MLS000034677-01,18,3.6413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1,MLS000033512-01,18,3.2996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCN(Cc4ccccc4)C3)cc2)C1,MLS000033298-01,18,2.9613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=COCCNC(=O)Nc1ccc(Cl)c(Cl)c1,MLS000032491-01,18,3.275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1,MLS000046672-01,18,3.6536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2cc(C(c3nnnn3C3CCCC3)N3CCOCC3)c(O)nc2c1,MLS000031280-01,18,3.0804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CC3(C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C)(C2)C3O)cc1,MLS000029309-01,18,2.3857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,MLS000028625-01,18,5.8678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,Chlorotrianisene,15,5.8678,Shoichet Lab In House Data - Allison Doak
+COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,AB07985292-01,18,5.8678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=Nc1ccc(Nc2ccccc2)cc1,9074,18,3.8281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=Nc1ccc(NOC(=O)c2ccccc2)cc1,MLS000389719-01,18,3.2684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(Nc2ccccc2)cc1,MLS000518884-01,18,3.0124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OC2(c3cc(Br)c(O)c(Br)c3Oc3c2cc(Br)c(O)c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,83511,18,9.3294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,1_09,1,8.6978,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,rose_bengal_lactone,7,8.6978,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O,123664,18,0.5316,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C[C@H](NC(=O)C1OC1C(=O)O)C(=O)NCCCCN=C(N)N,11957542,18,-1.4609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N,439487,18,-1.4609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O,174223,18,3.1006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(-c2nc3ccc(C(=O)O)cc3s2)cc1,3665766,18,3.2437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1,439647,18,2.6925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl)cc1,73093,18,2.0006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)c1nnc(SCC(=O)N3CCCCC3C)nc1n2C,653644,18,3.0182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)c1nnc(SCC(=O)N3C(C)CCCC3C)nc1n2C,651823,18,3.4067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1,658668,18,3.3904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(NC3=NC(C)(C)C=C(C)N3)nc(C)c2c1,4378002,18,3.3904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(NC3=NC(c4ccc(OC)cc4)CC(=O)N3)nc(C)c2c1,3147411,18,3.3746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1,660425,18,3.2523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NCC(=O)OCN2C(=O)c3ccccc3C2=O)cc1,660676,18,1.0702,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCc2ccc(C(=O)n3cccn3)o2)ccc1Cl,841187,18,3.7054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(COc2ccc(F)cc2)o1)n1cccn1,3243758,18,2.8827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(COc2ccc(F)cc2)o1)n1cc(Br)cn1,1222676,18,3.6452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C/C(=O)NC2CCCCCCC2)o1,898709,18,3.8303,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C/C(=O)Nc2ncc(C)s2)o1,MLS000389101-01,18,3.0048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C/C(=O)NCCCN2CCN(CCCNC(=O)/C=C/c3ccc(C)o3)CC2)o1,MLS000680727-01,18,2.8462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C(=O)N(C)C,1290990,18,2.9672,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=N/C(=C\c3cccnc3)C(=O)O2)cc1,2094146,18,2.7345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,MLS000566968-01,18,4.1072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1,2195947,18,2.2199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1C,2238214,18,2.8368,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c(C)c1,2196572,18,2.2199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)N(C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1,2443235,18,3.1637,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F,2463526,18,2.067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1,15945234,18,1.2081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CNS(=O)(=O)c1ccc(F)c(F)c1F)Nc1ccc(OC(F)F)cc1,2520429,18,2.1655,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)c(F)c2F)cc(OC)c1,2483290,18,1.5813,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)C3c3cccs3)sc2c1,2950564,18,5.2961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(F)cc2)s1,NCGC00085810-01,2,3.3615,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)C3c3cccs3)sc2c1,11958671,18,6.2862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2nc1NCC1CCCO1,3162237,18,2.0578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)Nc1nc2ccccc2[nH]c1=O,3600891,18,0.5786,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c(=O)c(NC(N)=S)nc2c1,4374749,18,0.5872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(=O)c(NC(N)=S)nc2c1,3600895,18,0.887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)NCC(=O)OCC(=O)N2CC3(C)CC2CC(C)(C)C3)c1,5080646,18,2.6952,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)CC2CC(C)(CN2C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1,4441353,18,3.6936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1,5349730,18,3.6782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2c(CN(C)Cc3ccccc3)c(O)ccc12,5391089,18,3.439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1ccc(Br)cc1/C=N\NC(N)=S,5411864,18,2.4034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1c(Br)cc(Br)cc1/C=N/NC(N)=S,6874299,18,3.1659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\NCc1ccc2c(c1)OCO2,5516744,18,1.849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NCc1ccc2c(c1)OCO2,MLS000557392-01,18,2.825,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)s1,MLS000577169-01,18,2.9001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1,6054974,18,2.3965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1S(=O)(=O)N1CCOCC1,MLS000393164-01,18,2.3165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=N/NC(=S)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,6899594,18,2.5703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C(C)=N\NC(N)=S)cc(OC)c1OC,5411492,18,1.2696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2ccc(N/N=C3\C=Cc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4C3=O)c(C)c2)ccc1N/N=C1\C=Cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2C1=O,9604988,18,2.1064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2ccc(NN=C3C=Cc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4C3=O)c(C)c2)ccc1NN=C1C=Cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2C1=O,Evans_Blue_CID6321418,15,-9.8776,Shoichet Lab In House Data - Allison Doak
+COc1cc(-c2ccc(N/N=C3\C=Cc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4C3=O)c(OC)c2)ccc1N/N=C1\C=Cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2C1=O,9604989,18,1.5068,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=S)S/C1=C\c1ccc(SCc2ccco2)o1,12005023,18,3.6537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC=NN12,MLS000520306-01,18,3.4139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=S)S/C1=C/c1ccc(N2CCOCC2)o1,MLS000589049-01,18,1.605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(C)c(CCNC(=O)c2ccccc2)s1,12006155,18,2.7324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NCCc2sc(C)nc2C)cc1,7222732,18,3.0409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCOc1c(Cl)cc(/C=N/NC(N)=S)cc1OCC,20846963,18,1.9178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@H]1Cc2ccccc2N1C(=O)COc1ncnc2sccc12,ZINC02617655,15,3.0479,Shoichet Lab In House Data - Allison Doak
+Oc1ccc(N=Nc2cccc(Br)c2)cc1,4-(3-Bromo-phenylazo)-phenol,7,4.5701,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+Oc1ccc(N=Nc2cccc(Br)c2)cc1,2_15,1,4.5701,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Oc1ccc(N=Nc2ccc(Br)cc2)cc1,1_02,1,4.5701,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCC2)CC1,NCGC00085891-01,2,2.0746,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccco3)CC1)OCO2,NCGC00085883-01,2,1.6074,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)CSCc1nc(-c2ccc(Cl)cc2)oc1C,NCGC00085830-01,2,4.0997,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCN(C(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1,NCGC00085304-01,2,3.0645,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccc(Cl)cc2)CC1,NCGC00085798-01,2,3.3718,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1,NCGC00085794-01,2,3.0169,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1N1CCN(C(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)CC1,NCGC00085796-01,2,2.727,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1,NCGC00085758-01,2,2.6409,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COCCCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1,NCGC00085754-01,2,1.5044,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-n2nc(-c3ccc(N)cc3)cc2N)cc1,NCGC00085664-01,2,3.0121,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1c2nc3ccc(F)cc3c-2ncn1CCN1CCN(Cc2ccccc2)CC1,NCGC00085663-01,2,3.1986,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCCN1CCn1cnc2c3ccccc3nc-2c1O,NCGC00085657-01,2,3.1161,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1c2nc3ccc(F)cc3c-2ncn1C1CCCCC1,MLS000078437-01,18,4.3078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-n2c(CC)nc3ccccc3c2=O)cc1,NCGC00085642-01,2,3.3468,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)CCC(=O)N3CCOCC3)ccc21,NCGC00085593-01,2,-0.7402,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,NCGC00085573-01,2,1.0596,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,NCGC00085575-01,2,0.3157,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl,NCGC00085592-01,2,3.3249,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CCCc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(Cl)c4)C3)ccc2N1,NCGC00127534-01,18,3.7933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)C2(C)CCC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC,NCGC00085397-01,2,2.6725,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(CCNC(=O)C2(C)CCC(=O)N2CCC(C)C)cc1OC,NCGC00085399-01,2,2.7897,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1OC,NCGC00085379-01,2,3.3296,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1OC,NCGC00085369-01,2,3.3296,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1,NCGC00085375-01,2,3.3296,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nnc2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nn12,NCGC00085262-01,2,0.7429,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1,NCGC00085020-01,2,3.4287,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nnc2ccc(N3CCN(c4ccccn4)CC3)nn12,NCGC00085266-01,2,1.1543,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN1CCN(CCNC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)CC1,NCGC00085220-01,2,3.2691,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1,NCGC00085185-01,2,4.5768,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc2nccnc2c1,NCGC00084953-01,2,1.3754,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc2c3ccccc3n(CC(=O)c3ccc(F)cc3)c(=O)n2n1,NCGC00084810-01,2,2.3746,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc2c3ccccc3n(CC#N)c(=O)n2n1,NCGC00084790-01,2,0.8762,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1,NCGC00084781-01,2,3.434,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1cccnc1)c1cnn2ccccc12,NCGC00084758-01,2,1.6593,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)c1cccc(NC(=O)c2cnn3ccccc23)c1,NCGC00084782-01,2,2.7892,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1ccc(O)c(-c2nc3ccccc3s2)c1,NCGC00080452-01,2,3.2511,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=S(=O)(Nc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1)c1ccccc1,NCGC00068869-01,2,4.3862,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2ccccc2C(=O)N1c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1,MLS000041619-01,18,4.386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2nc(SCC(=O)Nc3nonc3C)c3c(c2cc1C)CCCC3,NCGC00033846-01,2,4.1527,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CCCOc1ccccc1)Nc1nnc(C2CCCO2)s1,NCGC00031391-01,2,3.1873,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nc2ccccc2s1)c1sc2sc3ccccc3[n+]2c1O,NCGC00014784-01,2,4.9918,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,Econazole,1,5.8014,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,Sulconazole,1,6.518,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,Miconazole,1,6.4548,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12,NCGC00162398-01,18,5.1313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12,MLS000028868-01,18,5.1313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N/C(=N\C(=O)c1[nH+]c(Cl)c(N)nc1N)NCc1ccccc1,NCGC00161663-01,18,-0.0418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C,NCGC00161621-01,18,6.8739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1cccc(c1)Oc1ccc(c(O)c1)CC3N(C)CC2)N(C)CC4,NCGC00094890-01,18,7.703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2c(c1)c(C#Cc1ccccc1)c(-c1ccccc1)n2C,NCGC00159967-01,18,5.0317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2c(c1)c(I)c(-c1ccc(OC)cc1)n2C,NCGC00159869-01,18,4.2451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C=CC(c3ccc(OC)cc3)N(Cc3ccc(F)cc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1,NCGC00159964-01,18,6.3918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1,NCGC00159937-01,18,6.2741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1,NCGC00159596-01,18,6.5739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,NCGC00159451-02,18,3.0653,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(N)sc2c1CCSC2,MLS000567689-01,18,2.2963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(=O)c(-c3ccccc3)coc2c1,NCGC00142583-01,18,3.4686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1)N1CCC(CN2CCCCCC2)CC1,NCGC00141697-01,18,4.4599,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)Nc3cccc(C)c3)c2)c1C,NCGC00140982-01,18,6.1901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)Nc3cccc(C(C)=O)c3)c2)c1C,NCGC00140704-01,18,6.0843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1,NCGC00138979-01,18,6.4565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1nc(-c2ccccc2)nc(Cc2ccccc2)c1=O)Nc1ccc(Cl)cc1,NCGC00137695-01,18,4.1882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4Cl)CC3)nn2)cc1,NCGC00136999-01,18,4.0526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CC(NC(=O)/C=C\c3ccc4c(c3)OCO4)CC2=O)cc1OC,NCGC00136897-01,18,2.3674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NCC(c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1,NCGC00136172-01,18,3.3723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)C(=O)NCC(c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,NCGC00136118-01,18,2.5867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cc2nc3ccc(C(=O)NCc4cc(Br)ccc4OC)cc3o2)cc1,NCGC00133187-01,18,5.1283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)C=C(C(=O)NCc1cc(Br)ccc1OC)CO2,NCGC00132701-01,18,3.5585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)cc1F,NCGC00133137-01,18,5.1184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1ccccn1,NCGC00132433-01,18,2.9994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)CN2C(=O)CC(c3ccc(C)c(C)c3)=Nc3ccccc32)cc1,NCGC00130431-01,18,4.9763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Cl)cc1)OCc1cc(=O)n2nc(-c3cccs3)sc2n1,NCGC00130066-01,18,3.6551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1Cl)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2,NCGC00129327-01,18,5.1067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(CNC(=O)c2c3c(nc4ccccc24)C(=O)N(C2CCCCC2)C3)cc1,NCGC00129295-01,18,5.0157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C)ccc1Br,NCGC00129167-01,18,5.3364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1,NCGC00129073-01,18,4.5812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12)Nc1ccc(F)cc1,NCGC00128773-01,18,2.5475,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1,NCGC00128314-01,18,4.6876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NCc1cccc(Br)c1)c1ccc(-c2cc(C(F)(F)F)on2)s1,NCGC00128312-01,18,4.6629,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c(C)c1,NCGC00128284-01,18,4.9139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2ccc(C)c(S(=O)(=O)N(Cc3cccs3)C(C)C)c2)on1,NCGC00128240-01,18,4.6192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C(C)C)cc(OC)c1,NCGC00128159-01,18,2.9202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2ncc(C(=O)NCCc3ccsc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C,NCGC00127235-01,18,5.6376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2ncc(C(=O)Nc3ccc4c(c3)OCO4)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1,NCGC00126959-01,18,5.2762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1,NCGC00124896-01,18,4.8518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(OCC)c(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c1,NCGC00113952-01,18,5.0211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(CC(=O)c3ccc(Cl)cc3)c2=O)cc1,NCGC00124837-01,18,4.7972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(Cn2c(=O)n(Cc3ccco3)c(=O)c3oc4ccccc4c32)c1,NCGC00122366-01,18,4.2158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCCC4=CCCCC4)ccc23)c(C)c1,NCGC00121741-01,18,6.4531,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(C)cc4C)cn23)C1,NCGC00121717-01,18,5.2481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,NCGC00120835-01,18,3.6531,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NCc2cccc(F)c2)oc2c1-c1[nH]ncc1CC2,NCGC00120112-01,18,3.1458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(Cc1cccs1)C(=O)Nc1ccc(F)c(Cl)c1,NCGC00119959-01,18,4.9847,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2nnc(SCCOc3ccc(Cl)cc3)o2)cc(OC)c1OC,NCGC00119530-01,18,4.5869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(C(=O)Nc3cccc(C(C)=O)c3)nn2-c2ccccc2Cl)cc1,NCGC00119456-01,18,5.0512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3ccc(NS(C)(=O)=O)cc3o2)cc1,NCGC00119094-01,18,2.8749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccc1Cl)Nc1nc(-c2cccs2)ns1,NCGC00118276-01,18,4.5719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)ns2)cc1,NCGC00118274-01,18,4.2269,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2oc(C(=O)Nc3nc(-c4ccccc4)ns3)c(C)c2cc1Cl,NCGC00117706-01,18,5.4738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(NC(=O)c3nc(S(=O)(=O)Cc4ccccc4F)ncc3Cl)sc2c1,NCGC00117358-01,18,4.1136,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2ccc(F)cc2s1)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl,NCGC00117340-01,18,4.2441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2nc(NC(=O)c3ccc(F)cc3)nn2c(O)c1Cc1ccccc1,NCGC00117077-01,18,3.1205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)nn2c(O)c1Cc1ccccc1,NCGC00116754-01,18,4.2789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCCC2)cc1C,NCGC00117061-01,18,3.8701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(F)cc3)CCCC2)cc1OC,NCGC00116831-01,18,3.4096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(NC(=O)Cn2nnnc2-c2ccccc2F)cc1,NCGC00116776-01,18,3.2968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,NCGC00116736-01,18,2.192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc1,NCGC00116236-01,18,3.4155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(N2CC(c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1,NCGC00116219-01,18,5.4246,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(Cn2c(C3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c(C)c1,NCGC00114771-01,18,5.6695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)Cc2ccco2)n1,NCGC00115325-01,18,4.6776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)c1cccn1CC(=O)NCc1ccccc1,NCGC00113788-01,18,3.3439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C(c2ccccc2)c2ccc(Cl)s2)c2ccccc21,NCGC00111043-01,18,6.0734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2ccccc2c1C(c1ccccc1)c1ccc(Cl)s1,NCGC00111017-01,18,6.3714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)Nc2c(C)nc(Nc3ccccc3)nc2Nc2ccccc2)cc1OCC,NCGC00107659-01,18,6.3219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2nc(C)c(NC(=O)c3cccc(OC)c3)c(Nc3ccc(OCC)cc3)n2)cc1,NCGC00107587-01,18,6.3305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2ncc(NC(=O)c3cccc(F)c3)c(Nc3cccc(C)c3)n2)c1,NCGC00107558-01,18,5.972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccn2c(Nc3c(C)cccc3C)c(-c3ccsc3)nc2c1,NCGC00106157-01,18,5.7317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1Nc1c(-c2ccsc2)nc2ccc(Cl)cn12,NCGC00106153-01,18,6.0766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cc(C)ccn23)cc1,NCGC00106117-01,18,5.843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccccn23)cc1,NCGC00104496-01,18,5.5346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccccc1Cl,NCGC00105946-01,18,3.2233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Sc2ccc(N3CCCC(C(=O)Nc4ccc(Br)cc4)C3)nn2)cc1,NCGC00105334-01,18,5.5538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Sc2ccc(N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)nn2)cc1,NCGC00105332-01,18,5.4447,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)c2cn(Cc3ccccc3)c3nc(C)ccc3c2=O)cc1,NCGC00105291-01,18,4.2926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc(C)cc1,NCGC00105215-01,18,3.0948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=CC(c3ccc(Cl)cc3)n3nc(-c4ccc(C)cc4)nc3N2)cc1,NCGC00105128-01,18,6.2713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=CC(c3ccc(N(C)C)cc3)n3nnnc3N2)cc1,MLS000115322-01,18,3.1035,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1Cl)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1,NCGC00105011-01,18,3.3049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccc(Cl)cc1,NCGC00104862-01,18,5.08,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1cccc(Cl)c1,NCGC00102905-01,18,3.8409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CSc2nc(-c3cccs3)ccc2C#N)c1,NCGC00102518-01,18,5.2825,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(-c2nc(Nc3ccccc3C)sc2CC(=O)O)c1,NCGC00101679-01,18,4.5064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(OC)cc1Cl,NCGC00101467-01,18,4.09,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)no1,MLS000063125-01,18,2.7158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(c2ccccc2)N3)cc1,NCGC00100505-01,18,4.9946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)N(C(=O)Oc2ccccc2)c2ccc3oc(C)c(C(=O)OC)c3c2)cc1,NCGC00098775-01,18,5.4845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccccc3)cc12,MLS000697037-01,18,4.9221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(C#N)=NNc1ccc2cn[nH]c2c1,NCGC00097881-01,18,1.378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(C#N)=NNc1cccc(Cl)c1,2603,18,2.1551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CON1C(=O)c2ccccc2C1=O)c1ccccc1,NCGC00097739-01,18,2.0971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)N1OCc1ccccc1,MLS000058758-01,18,2.4144,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cc([N+](=O)[O-])ccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1cc([N+](=O)[O-])ccc1-5,NCGC00096753-01,18,7.9764,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cc([N+](=O)[O-])ccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1cc([N+](=O)[O-])ccc1-5,NCGC00013641-01,2,7.9764,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(C[N+]12CN3CN(CN(C3)C1)C2)c1ccc(-c2ccccc2)cc1,NCGC00096522-01,18,2.0449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)oc2cc(O)c(O)cc12,NCGC00095628-01,18,1.5126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12,MLS000123248-01,18,2.323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,NCGC00095510-01,18,5.5641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C=CC(C)(C)O2,NCGC00013053-01,2,5.2697,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,NCGC00095253-01,18,2.4327,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,NCGC00094379-01,18,0.4321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,NCGC00095126-01,18,1.9804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(N2CCN(C(S)=NCc3ccccc3)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,MLS000551675-01,18,4.1788,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O,NCGC00094959-03,18,1.7613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccccc1,caffeic_acid_phenethyl_ester_CAPE,15,2.8969,Shoichet Lab In House Data - Allison Doak
+CC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,NCGC00094925-01,18,4.18,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,MLS000069774-01,18,4.18,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,NCGC00094431-01,18,6.6748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,MLS000532100-01,18,6.6748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)C(=S)SSC(=S)N(CC)CC,NCGC00094423-05,18,3.6212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)C(=S)SSC(=S)N(CC)CC,3117,18,3.6212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,NCGC00094200-01,18,3.4715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(C)c(C(=O)c2ccc3ccccc3c2)c2ccccc21,NCGC00094065-01,18,5.7439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c2ccccc2c2cc(C(=O)O)ccc21,MLS000120540-01,18,3.9027,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C=CC=CC2=NC(=S)N1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,NCGC00093804-01,18,5.1728,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C=CC=CC2=NC(=S)N1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,NCGC00015353-01,2,5.1728,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1,NCGC00093627-01,18,4.9409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)=CCC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12,NCGC00017345-01,2,5.6107,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCCS(=O)(=O)CCCCCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21,NCGC00092322-01,18,7.7537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCS(=O)(=O)CCCCCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21,NCGC00092322-01,2,7.7537,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1c2c(O)cccc2Cc2cccc(O)c21,NCGC00091330-02,18,2.233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2c(O)cccc2Cc2cccc(O)c21,AB07985266-01,18,2.233,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(Cc3ccc(C(F)(F)F)cc3)C=C21,NCGC00074632-01,18,6.4963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(Cc3ccc(F)cc3)C=C21,NCGC00074622-01,18,5.6166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(=C\C1CCCCC1)[C@@H](NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1,NCGC00074391-01,18,6.7463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2c3ccccc3nc3[nH]c4ccccc4c23)cc1,NCGC00074330-01,18,5.5363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2c3c4ccccc4nc-3[nH]c3ccccc23)cc1,MLS000563664-01,18,5.4879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1,NCGC00025134-02,18,5.0145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1,NCGC00025134-01,2,5.0145,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1,NCGC00024727-01,18,3.5221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[S+]([O-])(NCCCCCCc1ccccc1)c1cccc2c(Cl)cccc12,NCGC00024588-01,18,5.7897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCN[S+](=O)([O-])c1cccc2c(Cl)cccc12,NCGC00024585-01,18,4.957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,NCGC00022515-03,18,3.8924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,MLS000069723-01,18,3.8924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(C)c1-c1nc(Nc2ccc(F)cc2)c2ccccc2n1,NCGC00012703-01,18,4.7843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ncc2ncc(=O)n(C)c2n1,NCGC00012566-01,18,-0.2105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(-c2nc3cncnc3n(Cc3ccccc3Cl)c2=O)c2ccccc21,NCGC00011689-01,18,4.0469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2cncnc2n(Cc2ccccc2Cl)c1=O,NCGC00010577-01,18,2.1966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(CNc2ccnc(-c3ccoc3)n2)c1,NCGC00011655-01,18,3.6571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NNc1nc2c(Cl)ccc(Cl)c2s1,MLS000724950-01,18,2.8887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NNc1nc2c(Cl)c(Cl)ccc2s1,MLS000724940-01,18,2.8887,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)CSc2nnc(NC(=O)C3CC(=O)N(c4ccccc4)C3)s2)no1,MLS000724934-01,18,2.5569,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1,MLS000724749-01,18,4.8467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2,MLS000724714-01,18,2.9781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)sc(C)c1C,MLS000723348-01,18,5.002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)sc(C)c1C,MLS000402477-01,18,4.6119,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1scc(-c2ccccc2)n1N=Cc1ccco1,MLS000722242-01,18,3.7492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(Cl)cc1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc2c(c1)OCCO2,MLS000722195-01,18,0.8908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(c4ccccc4)CC3)c2c1,MLS000722082-01,18,4.4028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=Nc1c(O)[nH]c2ccccc12,MLS000707596-01,18,4.2276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCC(=O)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12,MLS000697049-01,18,3.9723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1,MLS000706637-01,18,4.8719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCCC(=O)NN=C(C)c1ccc(O)cc1O,MLS000705550-01,18,3.6886,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCC(=O)NN=C(C)c1ccc(O)cc1O,MLS000705545-01,18,3.2985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=Nc2ccccc2C1=Cc1sc(Nc2ccc(C)cc2)nc1O,MLS000704845-01,18,5.5473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(Nc2cccc(Cl)c2)sc1/C=C1\C=Nc2ccccc21,MLS000588046-01,18,5.5022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c(S)nnc1-c1cc(-c2cc(C)ccc2C)nc2ccccc12,MLS000704123-01,18,5.0857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1-c1cc(-c2nnc(S)n2CC)c2ccccc2n1,MLS000704110-01,18,4.8676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)C2C3C=CCCCCC32)cc1,MLS000703101-01,18,4.1799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)C1C2C=CCCCCC21,MLS000583634-01,18,3.9259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(Oc2ccc(N/C=C/C(=O)C(C)(C)C)cc2)c1,MLS000702943-01,18,5.0283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=NNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1,MLS000702761-01,18,2.164,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)NC(NC(=O)CCCC)c1ccc(OCCC)c(OC)c1,MLS000702458-01,18,4.0954,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)NC(NC(=O)CCCC)c1ccc(OCC(C)C)c(OC)c1,MLS000702456-01,18,4.3414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc1,MLS000702417-01,18,4.2854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2CCN(c3ccc(NCc4nc5ccccc5n4C)cc3)CC2)cc1,MLS000702121-01,18,4.8204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2sc(NC3=NCCN3)nc2c1,MLS000702090-01,18,1.6674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(Br)cc1)NN=Cc1ccc[nH]1,MLS000700231-01,18,1.6573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)c2ccc(COc3ccccc3Cl)o2)c(OC)c1C,MLS000699691-01,18,4.6015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc2ccccc21,MLS000697302-01,18,3.5449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1,MLS000697166-01,18,4.4497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccc([N+](=O)[O-])cc1,MLS000574278-01,18,3.8408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2cc(S(N)(=O)=O)ccc21,MLS000697149-01,18,3.4188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1,MLS000696767-01,18,3.2384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12,MLS000681523-01,18,3.8994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CS(=O)(=O)c1ccccc1,MLS000325511-01,18,5.2911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12,MLS000681243-01,18,3.4103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C)C3=O)c2C)cc1C,MLS000681166-01,18,2.8026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1C,MLS000666676-01,18,3.0708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NOC(=O)/C=C/c1ccc(Br)cc1)c1ccccn1,MLS000680558-01,18,2.9307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(NOS(=O)(=O)c1ccccc1)c1ccccn1,MLS000666597-01,18,1.3171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1,MLS000680240-01,18,4.6609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CCc1ccccc1)NC(=O)C(=O)NCc1ccccc1,MLS000679094-01,18,2.4403,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C,MLS000676935-01,18,4.3268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2nc3sc4c(c3c(N)c2C1)CCCC4,MLS000676770-01,18,3.8821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c2c(nc3sc4c(c13)CCCCC4)CCCC2,MLS000573582-01,18,4.0262,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1,MLS000665496-01,18,3.9615,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN=C(S)Nc1ccc(Br)cc1,MLS000665135-01,18,2.7766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(S)=Nc2ccc(Br)cc2)cc1,MLS000580554-01,18,4.7869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccnc1,MLS000663977-01,18,3.8678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1,MLS000662681-01,18,3.138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1,MLS000626897-01,18,3.9477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1cccc(NC(S)=NN=C(S)NCc2ccccc2)c1,MLS000595395-01,18,4.3937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NN=C(S)NCc1ccccc1)c1ccc2ccccc2c1,MLS000392371-01,18,4.6394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(C=Nn2c(S)nnc2-c2cccnc2)cc1,MLS000594920-01,18,2.4192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Sc1nnc(-c2cccnc2)n1N=C/C(Cl)=C\c1ccccc1,MLS000577258-01,18,3.7426,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)C12CC3CC(CC(C3)C1)C2,MLS000594605-01,18,5.3931,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(O)cc(-c2cccs2)n(-c2ccc(Cl)cc2)c1=O,MLS000594492-01,18,4.4874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1c(O)cc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=O,MLS000537044-01,18,4.6011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2c(sc3nc4n(c(=O)c23)CCS4)C1,MLS000594170-01,18,2.6885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(Br)cc1,MLS000594113-01,18,5.1307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(Br)c1,MLS000535508-01,18,5.1307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2)cc1,MLS000592160-01,18,4.3464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\Nc1ccccc1SC(F)(F)F)c1nc(-c2ccccc2)cs1,MLS000592077-01,18,6.3986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c2ccc(F)cc2c1N=NN1CCSCC1,MLS000592074-01,18,3.5312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c2ccc(Cl)cc2c1N=NN1CCSCC1,MLS000590151-01,18,4.0455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNc1c2ccccc2nc2ccccc12)c1ccccc1O,MLS000591900-01,18,3.8505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1O,MLS000540101-01,18,3.5561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1nc2cc3ccccc3cc2nc1-c1ccccc1,MLS000591887-01,18,6.1256,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(O)c(CC=C(Cl)Cl)c(C)c2c1,MLS000591832-01,18,4.4187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1c(O)nc2ccc(C)cc2c1C,MLS000530532-01,18,3.8998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)cc1,MLS000591303-01,18,1.6956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)cc1,MLS000589145-01,18,1.9496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSC(=S)N1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1,MLS000591257-01,18,5.7874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OS(C)(=O)=O,MLS000591249-01,18,3.132,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)c1ccco1,MLS000535180-01,18,4.9959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1/C=C/C=Nn1c(S)nnc1C1CCCCC1,MLS000590846-01,18,4.1704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1,MLS000590817-01,18,4.8348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1,MLS000589177-01,18,5.0466,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1,MLS000590812-01,18,3.988,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCO/C(O)=C1\C(C)=Nc2sc(C(=O)c3ccc(C)cc3)c(N)c2C1c1ccc(C(=O)OC)cc1,MLS000590789-01,18,5.6989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCO/C(O)=C1\C(C)=Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2C1c1ccc(C(=O)OC)cc1,MLS000590788-01,18,5.531,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)c(C)c1,MLS000590695-01,18,3.2898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)c1C,MLS000590694-01,18,3.2898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)C2c3ccccc3C=NN21,MLS000590627-01,18,4.8587,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)C2c3ccccc3C=NN21,15944757,18,5.2238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)CSc2nc(N)c3c4c(sc3n2)CSC(C)(C)C4)cc1,MLS000590564-01,18,4.8806,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(=S)[nH]c3nc4c(cc3c2=O)COC(C)(C)C4)cc1,MLS000590559-01,18,3.603,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1(C)Cc2nc3[nH]c(=S)n(-c4ccccc4)c(=O)c3cc2CO1,MLS000587339-01,18,3.6847,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(c1)c1nnc(NN)nc1n2CC,MLS000590142-01,18,1.8474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12,MLS000590115-01,18,5.8074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(F)cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12,MLS000331058-01,18,5.8074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1-c1nc2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2,MLS000590096-01,18,5.0178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2N1,MLS000590080-01,18,6.1268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(C2CC(c3ccccc3)=Nc3ccccc3N2)cc1,MLS000590078-01,18,6.1268,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1,MLS000589943-01,18,2.7537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)Nc2nc3ccccc3n2C1c1ccc(F)cc1,MLS000331639-01,18,2.8842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1,MLS000589881-01,18,3.8658,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccncc1)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1,MLS000566955-01,18,3.2608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=S)N(C(=O)c2ccc(F)cc2)/C1=C/c1ccccc1,MLS000589854-01,18,2.7237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2\C(=O)NC(=S)N2C(=O)c2ccc(C)cc2)cc1,MLS000567565-01,18,2.9016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Cl)cc1C=Nc1ccc2c3c(cccc13)CC2,MLS000589705-01,18,5.048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Br)cc1C=Nc1ccc2c3c(cccc13)CC2,MLS000589704-01,18,5.1571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2cn3nc(-c4ccccc4)cnc3n2)cc1,MLS000589608-01,18,3.4583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N=Cc2cc3c(cc2O)OC(N)=C(C#N)C3c2ccccc2)cc1,MLS000589519-01,18,4.3696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N=Cc2cc3c(cc2O)OC(N)=C(C#N)C3c2ccccc2)cc1,MLS000589518-01,18,4.6694,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1c2ccccc2C2(C)CCCC3=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4OC312,MLS000589365-01,18,4.5667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1c2ccccc2C2(C)CCCC3=Cc4cccc([N+](=O)[O-])c4OC312,MLS000589364-01,18,4.6585,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=NNC(=O)/C(O)=C\C2=NC3(CCCC3)Cc3ccccc32)cc1,MLS000589038-01,18,4.0028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=NNC(=O)/C(O)=C\C2=NC3(CCCC3)Cc3ccccc32)cc1,MLS000331650-01,18,3.9454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)NCCc2c[nH]c3ccccc23)cc1OC,MLS000588778-01,18,5.4681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(N(CCc2ccccc2)C(=S)Nc2ccccc2)C(=O)N1c1ccc(Br)cc1,MLS000588264-01,18,5.0227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=S)Nc3ccc(N(C)C)cc3)C2=O)cc1,MLS000324842-01,18,4.6346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=NNC(=O)C(=O)NC2CC2)cc(Br)c1O,MLS000588218-01,18,1.2821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C=Nn2cnnc2)cc(Br)c1O,MLS000056749-01,18,2.0271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccc(F)cc1,MLS000587770-01,18,4.4669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(Nc2ccccc2)sc(C(=O)C2CC2)c1N,MLS000587506-01,18,3.5383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(SCC(=O)Nc2ccccc2)nsc1SCC(=O)Nc1ccccc1,MLS000587496-01,18,4.4764,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NC(=O)CSc2nsc(SCC(=O)Nc3nc(C)cs3)c2C#N)n1,MLS000069333-01,18,4.0062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(NC(=O)c2ccc(Cn3c(=O)[nH]c4ccsc4c3=O)cc2)c1,MLS000586766-01,18,3.6143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1,MLS000586764-01,18,4.3587,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)C1c1cccc(Cl)c1,MLS000586729-01,18,4.405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cc2c(cc1N=C(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1)OCO2,MLS000586508-01,18,4.6365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cn(NC(=O)/C=C/c2cccc(OC)c2OC)c(=O)c2ccccc12,MLS000586369-01,18,2.5888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cn(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc12,MLS000586365-01,18,3.4077,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCc1ccccc1Cl,MLS000586222-01,18,2.5201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NN=Cc1ccccc1F)c1nnn(-c2nonc2N)c1C,MLS000585820-01,18,1.5231,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1,MLS000585799-01,18,3.8134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1,MLS000585781-01,18,4.0667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N/C(=C\c2ccsc2)C(=O)N1Cc1ccc(F)cc1,MLS000585629-01,18,2.9801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNc1nc(Cl)nc(NCCOc2ccc(C)cc2)n1,MLS000585281-01,18,2.7561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNc1nc(Cl)nc(NCc2ccccc2)n1,MLS000557821-01,18,2.5689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2/Sc3ccc(C(=O)N4CCc5ccccc5C4)cc3NC2=O)cc1,MLS000584591-01,18,4.979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2\Sc3ccc(C(=O)N4CCc5ccccc5C4)cc3N(C)C2=O)cc1,MLS000583111-01,18,5.0033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)SC1=S,MLS000584397-01,18,4.2281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C(=O)/C(=C/C=C2\N(CC)c3ccccc3C2(C)C)SC1=S,MLS000544534-01,18,4.8422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=NNC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)cc1,MLS000584217-01,18,3.7211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)OCCNc1cc(SCc2ccco2)c2nonc2c1[N+](=O)[O-],MLS000584022-01,18,2.9913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)OCCNc1cc(SCc2ccco2)c2nonc2c1[N+](=O)[O-],12005351,18,3.7715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(=O)c1cccs1,MLS000583831-01,18,4.6906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,MLS000527808-01,18,2.763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nnc(C3C(=O)N(C)C4(C)CC3c3cc(Br)ccc3O4)s2)cc1,MLS000583539-01,18,5.1907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)C(c2nnc(Nc3cccc4ccccc34)s2)C2CC1(C)Oc1ccccc12,MLS000583538-01,18,5.273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)Cc1ccccc1,MLS000583246-01,18,5.002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C(N)=O)cc1,MLS000537512-01,18,5.0817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(-n2cccc2/C=C2/C(=N)N3C=CSC3=NC2=O)cc1,MLS000583157-01,18,4.3776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC=CN12,MLS000583156-01,18,3.1624,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(CSc2nc3ccccc3s2)NC(=O)NC1c1cccc([N+](=O)[O-])c1,MLS000582765-01,18,4.1679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1=C(CSc2nc3ccccc3s2)NC(=O)NC1c1ccc(F)cc1,MLS000391773-01,18,4.0087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2C)c1,MLS000582750-01,18,5.2084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Sc1nnc(-c2ccc3ccccc3n2)n1-c1cc(Cl)cc(Cl)c1,MLS000582745-01,18,5.078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Sc1nnc(-c2ccc3ccccc3n2)n1-c1ccc(Cl)cc1,MLS000581378-01,18,4.4246,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3ccccc3C2=O)c1,MLS000582637-01,18,4.5383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)cc1,MLS000582261-01,18,4.1847,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OCC(=O)NN=c2oc3c(OC)cccc3cc2C(N)=O)cc1,MLS000582617-01,18,1.5598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1N1CCN(C(=O)CSc2ccsc2[N+](=O)[O-])CC1,MLS000582556-01,18,4.059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(C(=O)CSc3ccsc3[N+](=O)[O-])CC2)c1,MLS000582533-01,18,3.714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1,MLS000581590-01,18,5.5429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-],MLS000581561-01,18,3.0174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-],MLS000581560-01,18,2.7716,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc(Cl)cc1Cl,MLS000581269-01,18,4.8734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c(NC(S)=Nc2cccc(C(C)=O)c2)cc1Cl,MLS000581216-01,18,4.5892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c(NC(S)=Nc2cc(Cl)cc(Cl)c2)cc1Cl,MLS000580210-01,18,5.6934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(N4CCCC4)cc3)ccc12,MLS000581178-01,18,4.9158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F,MLS000581045-01,18,3.2361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Cl)cc3)nc12,MLS000581013-01,18,4.787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1Cl,MLS000580989-01,18,5.0954,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4c[nH]nc4-c4ccccc4)S3)CC2)c1,MLS000580937-01,18,4.1776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1c[nH]nc1-c1ccccc1,MLS000576744-01,18,5.0017,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)c1,MLS000580721-01,18,3.4322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cnnc1Sc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-],MLS000580613-01,18,3.6922,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC(=O)CN2CCC3(O)CCCCC3C2c2ccc(F)cc2)sc(C)c1C,MLS000580420-01,18,4.5974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CN2C(=N)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1,MLS000580419-01,18,4.9062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(C#N)=c2sc(=C/C=C/c3ccccc3)c(=O)n2-c2ccccc2)cc1C,MLS000580288-01,18,4.3227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2nc3ccc(C)cc3s2)cc1,MLS000580274-01,18,3.893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(-c3ccc(N4C(=N)SC5CS(=O)(=O)CC54)cc3)sc2c1,MLS000580273-01,18,4.5032,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1CC(c2ccco2)=NN1c1ccccc1,MLS000580095-01,18,4.6439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(C2CC(c3ccco3)=NN2c2ccccc2)cc1,MLS000561649-01,18,4.7744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2c(=O)n(OCc3ccc([N+](=O)[O-])cc3)c3ccccc3[n+]2[O-])cc1,MLS000580070-01,18,3.2376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(-c2c(=O)n(OCc3ccc([N+](=O)[O-])cc3)c3ccccc3[n+]2[O-])cc1,MLS000580029-01,18,3.6277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(C=NNc2cccc3cccnc23)c(O)c1,MLS000579808-01,18,3.092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc2ccccc2c1C=NNc1cccc2cccnc12,MLS000576620-01,18,4.5396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)Nc1ccccc1Br,MLS000579501-01,18,6.4145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F,MLS000579466-01,18,4.4003,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)Nc3ccccc3F)CC2)c1,MLS000577215-01,18,4.3637,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NN=C(N)SC1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccs1,MLS000579154-01,18,3.6146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCOc1ccc(N2C(=O)CC(SC(=N)NN=C(C)c3cccs3)C2=O)cc1,MLS000579098-01,18,5.0209,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1,MLS000579026-01,18,4.8619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(N=C(S)Nc2ccccc2)nc2ccccc21,MLS000578857-01,18,3.6027,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1,MLS000578625-01,18,5.0593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Br)cc1,MLS000571705-01,18,5.5134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=NN(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2,MLS000578145-01,18,4.5875,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1,MLS000577763-01,18,4.4439,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1C=NNc1cc(N2CCCC2)nc(N2CCCC2)n1,MLS000577672-01,18,2.8286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(C=NNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1O,MLS000553874-01,18,2.5342,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=NOC(=O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1,MLS000577454-01,18,3.2253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(Cc1ccc([N+](=O)[O-])cc1)=NOC(=O)c1ccc2ccccc2c1,MLS000533511-01,18,3.4197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(S)nnc2C2CCCCC2)c1,MLS000577412-01,18,4.0583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(Br)c3cccnc13)C2=O,MLS000576738-01,18,5.5988,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O,NCGC00071280-01,2,3.9937,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Oc1ccc(C(=S)N2CCOCC2)cc1Br)c1cc(Cl)ccc1Cl,MLS000576645-01,18,4.9828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1ccc(Cl)cc1,MLS000562714-01,18,5.0919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc(NN=Cc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1,MLS000576526-01,18,4.9594,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccccc1C=NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1,MLS000561705-01,18,4.5598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1,MLS000575978-01,18,3.9894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2cccc(Cl)c2Cl)cc1,MLS000575966-01,18,6.0504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1,MLS000575929-01,18,4.6822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccn1,MLS000575571-01,18,3.2444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1c2ccccc2CCc2ccccc21,MLS000574773-01,18,5.3574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C)C(=NOC(=O)/C=C/c2ccccc2)C=CC1=O,MLS000574163-01,18,3.0743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CC(=NOC(=O)/C=C/c2ccccc2)C=C(C)C1=O,885318,18,3.0743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1,MLS000573782-01,18,4.5327,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2nc(/C=C/c3ccc(N(C)C)cc3)sc2cc1SC,MLS000402457-01,18,5.2632,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cccc2ccccc12)NC(NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl,MLS000573775-01,18,5.8348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N=C(S)NC(NC(=O)COc1ccccc1)C(Cl)(Cl)Cl,MLS000573706-01,18,4.3934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N=C(S)NC(NC(=O)C(C)C)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1,MLS000573666-01,18,3.5788,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N=C(S)NC(NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1,MLS000525705-01,18,4.89,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(O)cc1O,MLS000573592-01,18,2.8811,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccco1,MLS000573587-01,18,2.4363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N2NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1,MLS000573542-01,18,2.8596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1,MLS000573543-01,18,2.9623,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(-c2cccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)c2)cs1,MLS000573413-01,18,5.2397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cccs1,MLS000573225-01,18,3.1466,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(C)CN=C(S)NN=Cc1ccc2c(c1)OCO2,MLS000573023-01,18,2.2007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2NC(S)=NC3=C2CCc2ccccc23)c1,MLS000572745-01,18,3.9828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2NC(S)=NC3=C2CCc2cc(OC)ccc23)cc1,MLS000568632-01,18,3.9914,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CN1C(=S)N(Cc2ccccc2)C(=O)C1CC(=O)Nc1ccc(Br)cc1,MLS000572717-01,18,2.9486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NC(=N)Nc2nc(O)cc(C(F)(F)F)n2)c1,MLS000572596-01,18,2.6684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N=C(N)Nc2nc(O)cc(C(F)(F)F)n2)c1C,MLS000572540-01,18,2.8761,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1cccc([N+](=O)[O-])c1,MLS000572314-01,18,4.0702,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2CC(O)=CC(=Nc3ccc(Cl)cc3)C2)cc1,MLS000572244-01,18,5.7404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C=C(O)CC(c2ccc(Cl)cc2)C1,MLS000109984-01,18,3.2284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2(C(F)(F)F)NC(=O)N3C(=C2C#N)Nc2ccccc23)cc1,MLS000572052-01,18,4.1431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C2Nc3ccccc3N2C(=O)NC1(c1ccccc1)C(F)(F)F,MLS000570798-01,18,3.8347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1,MLS000572030-01,18,4.1874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccs1)C1CC(=O)N(c2ccccc2)C1,MLS000571976-01,18,2.2513,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2CC(C(=O)NCc3cccs3)CC2=O)cc1C,MLS000528055-01,18,3.0342,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1C(=O)C=C(/C=C/c2ccccc2)CC1c1ccc(Cl)cc1,MLS000571762-01,18,5.2155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)CC1c1ccccc1,MLS000563918-01,18,3.9141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N=C(N)Nc2nc(C)c3cc(C)c(C)cc3n2)cc1,MLS000571421-01,18,2.979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N=C(S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c(C)c1,MLS000331513-01,18,4.2076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc3ccccc3c12,MLS000571233-01,18,5.6934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC1CCCCC1,MLS000571094-01,18,2.3638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1c[nH]c2ccc(Br)cc12)c1ccn(Cc2ccc(Cl)cc2Cl)n1,MLS000570973-01,18,5.2459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1,MLS000570890-01,18,4.2773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc2ccccc12)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-],MLS000570889-01,18,5.1221,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CON=Cc1cccc([N+](=O)[O-])c1)Nc1ccc2ccccc2c1,MLS000570051-01,18,3.7372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(NCCN1CCOCC1)NN=Cc1c2ccccc2cc2ccccc12,MLS000570025-01,18,3.1232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N2CCCCC2)nc(N)c2c(N)nc3c(c12)CC(c1ccccc1)O3,MLS000569820-01,18,3.3324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(c1ccccc1)O3,MLS000056972-01,18,3.1883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1n[nH]c2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc12,MLS000569728-01,18,3.5097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(n1)sc1c(-c3ccccc3)c(C#N)c(N)nc12,MLS000569183-01,18,4.5822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(n1)sc1c(-c3ccc(Br)cc3)c(C#N)c(N)nc12,MLS000568404-01,18,5.0363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(Oc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1,MLS000568340-01,18,6.3383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(Oc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1C#N,MLS000566432-01,18,6.4995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C2CC(=O)n3c(nc4ccccc43)N2)cc1,MLS000568279-01,18,2.8078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(F)cc1)C1CC(=O)n2c(nc3ccccc32)N1,MLS000331900-01,18,2.6385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NNC(=O)CSc2n[nH]c3c4cc(C)ccc4nc-3n2)cc1,MLS000568274-01,18,2.6278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1cccc2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1,MLS000568158-01,18,2.8132,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(C)cc3)cs1)C2=O,MLS000567791-01,18,4.974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCNC(=O)NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C,MLS000567712-01,18,2.5325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCC(C)N/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21,MLS000567687-01,18,4.6244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN2C(=O)/C(=C\Nc3ccccc3)c3ccccc3C2=O)cc1,MLS000390304-01,18,4.3308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccs1,MLS000567607-01,18,2.2095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC1CCC(c2ccc(C(N)=O)cc2)CC1,MLS000567437-01,18,4.2495,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1CCC(c2ccc(C(N)=O)cc2)CC1,MLS000560951-01,18,3.8594,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nnc(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1,MLS000567392-01,18,5.3539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nnc(-c3ccccc3)c(-c3c[nH]c4ccccc34)n2)cc1,MLS000554266-01,18,5.3539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(N)c(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(=O)n(C)c1=O,MLS000566692-01,18,0.1955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(C(=O)C[S+]([O-])CC(=O)Nc2ccc(F)cc2)C(C(=O)NC2CCCCC2)c2ccco2)cc1,MLS000566622-01,18,4.6377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1,MLS000566481-01,18,5.3502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc2c(c1)C1C=CCC1C(c1cc3c(cc1Br)OCO3)N2,MLS000566477-01,18,5.1434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1cc2c(cc1C1Nc3ccccc3C3C=CCC31)OCO2,MLS000555771-01,18,5.0043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OC,MLS000566254-01,18,1.8382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1,MLS000566096-01,18,3.3116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(OCC(=O)NN=Cc2sc(Nc3ccccc3)nc2Cl)cc1,MLS000565972-01,18,3.9409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2sc(Nc3ccccc3)nc2Cl)c1,MLS000565942-01,18,5.501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1nc(C(=O)OC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c2ccccc2c1=O,MLS000565283-01,18,4.6787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(C(C)C)C(OC(=O)CSc2nc(N)cc(O)n2)C1,MLS000565195-01,18,2.8605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(C(C)C)C(OC(=O)COC(=O)c2ccccc2N)C1,MLS000336241-01,18,3.4296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12,MLS000565174-01,18,6.0608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cnn(-c2ncnc3sc(-c4ccccc4)cc23)c1N,MLS000565120-01,18,2.9979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(s1)N1Cc3ccccc3C(C(=O)c3cccc([N+](=O)[O-])c3)=C1NC2=O,MLS000565012-01,18,4.5338,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(s1)N1Cc3ccccc3C(C(=O)c3ccc(F)cc3)=C1NC2=O,MLS000554696-01,18,4.7647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1Cc1ccc(Cl)cc1,MLS000564416-01,18,4.3148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N,MLS000564115-01,18,3.7756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."