deployment/deployment_0/train.csv

SMILES,y
CCc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2,1.557338745
CCc1nnc(Oc2cccnc2)c(C#N)c1CC,0.693902741
CSc1ccc(-c2ccc3n(c2=O)C[C@@H]2CNC[C@H]3C2)cc1,0.699490845
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1,0.675686709
O=C(Nc1cccc(Cl)c1F)c1cccc(N2CCCC2=O)c1,1.918292513
Cc1cc(C)cc(OCCN(C)C(=O)NCCN2CCCCC2=O)c1,2.175874058
CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)cn1,0.675686709
Cc1nc(-c2ccccc2)c(C(=O)Nc2cc(Cl)cc(Cl)c2)s1,1.409730293
c1nc(N2CCC3(CCCCC3)C2)c2cn[nH]c2n1,0.920801382
Cc1cc(C(=O)NCC2CCC3(CC2)OCCO3)[nH]n1,0.675686709
COc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1ccn(C(F)F)n1,1.271562825
CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(NC3CCCCC3)cc21,0.940516485
c1ccc(N2CCOCC2)c(CNc2cc(N3CCCC3)ncn2)c1,2.278454063
COc1cc(C)cc(OC)c1-c1ccc(OCC(N)=O)cc1,0.675686709
N#Cc1cc(F)c(N2CCN(CCO)CC2)c(F)c1,0.675686709
Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12,2.079322369
N#CC1(NC(=O)CN2CCOCC2)CCCCCC1,0.675686709
O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2,1.6318596
Cc1ccnc(-n2nccc2NC(=O)N2CCCN(C)CC2)c1,1.121494186
c1ccc(C2(CNc3nc4ccccc4o3)CCOCC2)cc1,2.111622036
O=C(C1CCC1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1,1.635182049
Cn1nccc1C(=O)NCCc1cc2nc(-c3cccs3)ccn2n1,1.829522473
O=c1[nH]c2ccccc2n1C1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1,2.320241862
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1,0.753812784
O=C(c1ccc(O)nc1)N1CCN(c2ncccn2)CC1,0.675686709
Cc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1,1.140570889
O=C(CN1CCCC(c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,1.937327282
CC(=O)Nc1cc(CCC2CCNCC2)ccn1,0.675686709
Cc1nccc(N(C)Cc2ccc(N)nc2)n1,0.675686709
Cc1cc(C)c2c(C(=O)N3CC4(CNC(=O)N4)C3)cc(C)nc2c1,0.675686709
C[C@@H]1NC(=O)N(CCC2Cc3ccccc3C2)C1=O,0.675686709
CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1,0.675686709
CN1CCN(CCOc2ccccc2N)CC1,0.904499155
CN(Cc1ccc(Br)o1)C(=O)CN1CCCC1=O,0.675686709
CC(C)Cc1ccccc1CNCc1ccc2[nH]cnc2c1,1.746400644
COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O,0.675686709
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(\C)[C@H]1OC(N)=O)C2=O,1.32255006
CCOc1ccc(-c2ccccc2NC(=O)COC)cc1,2.59989944
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,1.173696047
CCc1nccn1Cc1nc(N)nc(N(C)C)n1,0.675686709
CCn1nc(Cc2ccc(OC)cc2)nc1Cc1sc(C)nc1C,1.330170175
O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2cccs2)cc1,0.675686709
[2H]c1nc(C)nc([2H])c1-c1cc(NC[C@@H](C)c2cccc3c(C(=O)NC)ccnc23)ncn1,0.733357788
O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1,0.675686709
CCc1nc(CNc2ccc(C#N)nc2)cs1,0.675686709
COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)Nc3ccccc3)C1)CC2,0.675686709
CN1CCC(NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1,0.69399061
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12,0.675686709
Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CC3)ccc2o1,2.104353935
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(O)c(O)c2)n1,1.550680762
Cc1cc(NC(=O)c2c(F)cccc2Cl)no1,0.675686709
Cc1nc(Cn2ncc3ccccc3c2=O)cs1,0.675686709
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC1CCN(C(=O)C2CC2)CC1,1.964160594
CC(C)(C)c1cc(C(=O)CSc2nncn2-c2ccccc2)cc(C(C)(C)C)c1O,1.200689847
CSCC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1,1.755813898
CCC(=O)Nc1sc2c(c1C#N)CCC2,2.19269566
CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)c1C,2.492268562
Cc1ccnc(-n2nccc2NC(=O)NC2(C)CCC2)c1,1.862137345
Cn1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1,0.675686709
CCn1ccc2cc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)ccc21,1.079904468
CCc1nnsc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,1.174699288
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,0.675686709
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(OCC3COC3)cc2n1,0.892094603
Cc1ccc(-c2cc(NC(=O)CN3CCOCC3)on2)cc1,0.675686709
CC1CN(C(=O)c2cccnc2N2CCOCC2)CC(c2ccccc2)O1,1.554695053
CN1CCN(c2cccc(C#N)n2)CC1,0.675686709
Cc1cccc(OC2CN(C(=O)Cn3c(C)nn(-c4ccccc4)c3=O)C2)c1,1.13001195
CC(C)N1CCC(O)(c2ccccc2F)CC1,0.675686709
CC(=O)NCC1CCN(C(=O)c2ccc(C)nc2)CC1,0.675686709
Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2n1,1.701930465
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCCCCCN3C(=O)C=CC3=O)CC[C@@H]12,0.784331948
C[C@@H](NC(=O)N1CCC2(CCOCC2)CC1)c1ccc(F)cc1,0.79190108
O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCC1,0.675686709
O=C(CN1CCSC1=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1,1.861659842
Cc1cc(N(CCO)CCCO)ncc1Br,1.094296397
CCCCNc1nc2c(cc1C#N)CCC2,2.354563633
CC(C)c1cccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)n1,2.917223415
O=C(Nc1nnc[nH]1)c1ccc(C2SCCCS2)cc1,0.91481898
CSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1,2.17858274
Cc1ccc2c(C(=O)N(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1C,1.222742476
Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCCC3)CC[C@@H]2O)c1,2.511300347
Cc1cc(Oc2cnccn2)ccc1N,0.675686709
Cc1cc(Nc2ncccn2)cc(C2CCCN(CC(=O)Nc3ccc(F)cc3)C2)n1,1.808879124
Cc1ccc(C)c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,2.650083031
c1cc(CC2CCNCC2)c2cccnc2c1,0.675686709
O=C(NCCc1ccc(F)cc1)n1ccnc1,1.598757687
COc1cc2c(c(OC)c1OC)CCNC(=O)C2,0.675686709
CCOc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC,1.789623012
Clc1ccc(COc2cccc(N3CCNCC3)c2)cc1,0.71858472
CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12,2.357256208
N#Cc1ccccc1N1CCC(N)CC1,1.345099146
c1nc(Nc2ccc3c(c2)OCCCO3)c2sccc2n1,1.964066253
CCc1nsc(N2CCS(=O)(=O)CC2)n1,0.675686709
CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CN)CC4)c3)c2C1,2.309964529
Cc1cc2occ(CC(=O)NC3CCN(C)CC3)c2cc1C(C)C,1.141857223
Nc1ccnn1Cc1ccc(Cl)c(F)c1,0.675686709
CN(C)c1ccnc(NC(=O)c2cnsn2)c1,2.211774429
Cc1nc(NCCN2C(=O)CCC2=O)c2c(C)csc2n1,0.907411361
CCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,1.792433716
Cc1ncsc1C(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cccc(Cl)c1,2.372418541
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,1.176178109
CN(Cc1ccc(CO)cc1)Cc1cc(F)c(F)c(F)c1,1.732361589
CS(=O)(=O)CCNC(=O)N1CC2(CCCC2)c2ccccc21,0.984302232
CNCc1cc(NC)nc(C2CCCN2C(=O)COc2ccccc2OC)n1,0.675686709
O=C(Cc1ccc2c(c1)OCCO2)NC1CCCCCC1,2.288186604
O=C(c1ccc2c(c1)OCO2)N1CCC(c2n[nH]c(C3CC3)n2)CC1,0.675686709
Cn1cnnc1CNc1ccccc1C#N,0.675686709
Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)c2c(C)nn(C)c2n1,1.46265251
COCCN(C)c1ccc(CN2CCc3nn(C)c(=O)cc3C2)cn1,0.675686709
CCc1nnc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1,0.675686709
CCC(=O)N(C)c1ccccc1C(=O)O,1.37386787
CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)Cc3ccccc3)CC2)cn1,2.109848421
CC(C)n1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)n1,0.675686709
CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O,0.933639113
Cc1ccc(F)c(N(C#N)Cc2nccn2C(F)F)c1,1.299005816
CCc1nnc(Nc2cccc(C3CCCN(CC(=O)N4CCCC4)C3)n2)s1,1.687493289
CC(C)(C)OC(=O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1,0.675686709
COC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,2.241150355
Cc1nc(CN2C(=O)CN(C3CCCC3)C2=O)nc2ccccc12,0.675686709
CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12,0.917610526
C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2,0.879841056
Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,0.675686709
Cc1ncccc1CNc1ccc(CC#N)cc1,1.259522207
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O,0.675686709
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,0.915452602
Cc1cc(NC(=O)c2cc(F)cc(F)c2)sn1,2.114844413
c1ccc(CN2CCn3nccc3C2)cc1,0.675686709
Cc1ccc(OCc2nc3cc(N)ccc3[nH]2)cc1,0.675686709
CN(C)c1nccc(N2CCN(CCCCCF)CC2)n1,1.510477984
Cc1ccc(NC(=O)CN2CCCC(c3nc4ccccc4o3)C2)cc1C,2.334206374
Cc1nn(C)c2nc(N3CCN(C)C[C@@H]3c3ccccc3)sc12,1.266419866
Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)CCO4)cc12,0.909502541
O=C(CCn1nnc2ccccc2c1=O)Nc1ccncc1,0.965342836
CC1(C)O[C@@](C)([C@H]2CC3(CCNCC3)CO2)CC[C@@H]1O,0.675686709
CCCN(C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,0.675686709
Nc1nccc2c1ncn2[C@H]1C=C(CO)[C@@H](O)[C@H]1O,0.675686709
Cc1nc(C)c2c(C)c(C(=O)N(C)CCN3CCCC3)sc2n1,0.675686709
Cc1ccc(NC(=O)C(C)(C)c2ccccc2)nc1,1.225438517
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccoc23)c1,1.209407768
CS(=O)(=O)N1CC(c2n[nH]c3ncccc23)C1,0.675686709
CC(C)(C)NC(=O)Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O,1.350616237
O=C(NC1CCNCC1)c1ccc2[nH]ncc2c1,1.41385276
C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1,1.169292275
COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1,0.675686709
Nc1ncccc1OCc1cccc(Cl)c1,2.196236999
Cc1noc(Cc2ccc(C)c(O)c2)n1,1.0309234
CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O,0.857242009
CCCNC(=O)C1(NCc2cncnc2)CCCCC1,1.635182049
O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1,2.526548619
CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(Cl)c2)cc1,1.727004157
Nc1nc2ccccc2nc1N1CCCC1,2.36483043
Cc1cccc(NC(=O)CSc2nncs2)c1,1.354223723
Cn1nc(CNC(=O)C2CCC2)c2ccccc21,1.097847077
N#Cc1cnc2ccccc2c1OCCO,1.017826038
Cc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C,0.675686709
Cn1ncc2c(Oc3cccc(Oc4ccccn4)c3)ncnc21,1.005952287
Cc1nccc(-c2cccc(NCc3cc(C)on3)c2)n1,1.775428392
COc1ccc(C)cc1-n1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1,1.667069858
NC1CCCC(C(=O)Nc2cccc(N3CCNC3=O)c2)C1,0.675686709
Cc1ccccc1CCNC(=O)N(Cc1cccnc1)C1CCN(C)CC1,1.309012349
CC#CCNc1ccc(-n2cnnn2)c(C)c1,1.323417121
CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C,2.296645449
CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2n1,1.467874372
CC(C)CCn1ccc(NC2CCN(C(C)C)CC2)n1,0.675686709
COc1cccc(OC)c1-c1ccc(OCCN2CCCC2)cc1,0.675686709
CC(=O)NC1CCN(Cc2cccc(-c3cccnc3)c2)CC1,0.781180721
COc1cccc(NC(=O)CNc2cccc(-c3ccnc(C)n3)c2)c1,1.786687551
CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2,2.053527879
Cn1cccc(C(=O)NCc2nc(C(C)(C)C)no2)c1=O,0.675686709
Cc1nc2ccccc2c(N)c1C(=O)/C=C/c1ccccc1,1.69904817
Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl,0.675686709
O=C(CN1CCCc2ccc(F)cc21)N1CCNC1=O,0.675686709
Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1,0.675686709
Cc1nccc(NC(=O)c2ccc(Cl)nc2Cl)n1,0.71941416
O=C(CC1CCCC1)NCc1nnc2n1CCC2,0.675686709
COc1ccc(OCc2n[nH]c(-c3n[nH]c4c3CCC4)n2)cc1,1.706350738
Cc1nc(CN(C)C(=O)C2c3ccccc3-c3ccccc32)no1,1.176264942
CCN(C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(C)C,1.377615831
CCOCCNC(=O)c1cccc(-c2cc(F)ccc2OC)c1,2.115364175
Cn1c(-c2ccccc2)cnc1NCc1ccccc1,2.704214884
Cc1cccnc1NC(=O)c1csc(-c2ccccc2)n1,1.731991449
O=C1CN(C(=O)c2ccc(Cl)cn2)CCN1CCc1ccccc1,0.860517677
O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1,1.767608484
O=C(NCc1cccs1)c1cccnc1,0.675686709
CN1CCc2nc(NC(=O)c3cncn3-c3ccccc3)sc2C1,0.707995746
CN1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1,1.449324093
Cc1cccc(Oc2ncccc2N)c1C,1.066586796
COc1ccc(-c2nc(CC(N)=O)sc2C)cc1.Cl,2.220395778
Cc1cc(C)nc(SCC(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)n1,3.372714293
COc1cc(-c2ccc(Cn3nc(C)cc3C)cn2)cc(OC)c1OC,1.664068178
CN(Cc1cnc2ccccc2n1)S(=O)(=O)N1CCCCCC1,2.361629637
CN(Cc1ccccc1)C1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C1,2.052682402
Fc1cccc(CN2CCN(c3ncccn3)CC2)c1,2.045369927
Cc1nc2c(c(N(C)Cc3ccccc3)n1)CCN(Cc1ccccc1)C2,2.817525045
Cc1cc(C(=O)N(C)Cc2ccsc2)no1,1.042575512
Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1,1.985201858
CN(C)C(=O)C(C)(C)NC(=O)OC(C)(C)C,0.675686709
Cc1noc(C)c1C(=O)N1CCCN(c2ccc(F)cc2)CC1,2.045596772
Cc1csc(Cc2nc(-c3ccc(O)cc3)no2)n1,1.179637952
CSc1cccc(-c2ccccc2-c2nnc(C)o2)c1,2.161347036
Cc1nn(-c2ccc(C(=O)O)cc2C#Cc2ccccc2)c(C)c1C,0.675686709
CC(C)c1nc2c(n1C)CCN(c1ncnc3ccccc13)C2,1.54333533
O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,1.164293359
Cc1nc(CS(C)(=O)=O)sc1C(=O)Nc1ccccc1,0.675686709
Cc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1,1.284453294
COc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)[nH]n1)CC2,1.800201391
c1sc(NCC2CCCO2)nc1C12CC3CC(CC(C3)C1)C2,1.65965003
CCCn1ncc2[nH]c(C3CCCCC3)nc21,1.2999429
Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3)C2)n1,2.02619812
COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1,0.874249823
CC(C)c1nsc(N2CCC(Nc3cccnc3)CC2)n1,1.419377405
COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl,0.989894564
O=C1CC(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccccc1,2.431194839
COCCN(Cc1cccs1)Cc1cccc(C)c1O,2.093306091
CCOC(=O)N1CCc2cc(NC(=O)c3oc(C)cc3C)ccc21,1.060017543
COc1cc(Br)c2c(=O)[nH]c(C)nc2c1,1.142702246
O=C(c1cccc(N2CCNC2=O)c1)N1CCc2ccccc2C1,1.108192805
Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCS1(=O)=O,0.675686709
Cc1nnc(-c2cccc(C(=O)O)c2)o1,0.675686709
O=C(COc1ncnc2ccccc12)NC12CC3CC(CC(C3)C1)C2,1.794104471
CC1(C)CCCN1C(=O)c1c(F)cc(C#N)cc1F,0.675686709
O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC1,0.675686709
CC(=O)N1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)c2ccccc21,2.35636436
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N,1.158935142
COc1cccc(CN2CCN(C(=O)Cc3ccc(C)cc3)[C@@H](C)C2)c1,2.361973237
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1,0.946157395
Cn1cnnc1CCn1ccnc1-c1cc2ccccc2s1,0.675686709
Cc1ccc2c(c1)c(Cn1ccnc1-c1cccc(C)n1)nn2C,2.085358376
CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1,2.49343156
O=C(O)CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O,0.675686709
COCc1nc(C2CCN(CCO)CC2)no1,0.675686709
Cn1cc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cn1,0.675686709
Cc1cc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)sc1C,1.564677898
Cc1ccc(C2=NC3(CCN(Cc4ccc(F)cc4)CC3)NC2=O)cc1,1.048208667
Cn1c(=O)n(Cc2cccc(OC(F)F)c2)c2cnccc21,1.017033339
COc1ccccc1CC(=O)Nc1ncc(C)s1,1.247997802
C#CCNC(=O)N(Cc1ccccc1F)C1CCOCC1,0.675686709
CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2-c2nc3ccccc3s2)C1,1.3962339
Cc1nc2cc(NC(=O)Cc3c(C)nc4ccccc4c3C)ccc2o1,0.932270776
COc1cccc(Cn2cnc3c(c2=O)COCC3)c1Cl,0.756940236
O=C(CN1CCCC1=O)NCC1(CO)CCCC1,0.675686709
CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,1.179810223
CC(=O)N1CC[C@H]2O[C@H]3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)cc4OC(C)(C)[C@@H]3C[C@H]2C1,0.675686709
CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,0.675686709
CC(C)[C@H](Nc1ncc(Cl)cn1)C(=O)N1CCCC1,1.18619325
Cc1noc(C)c1CS(=O)(=O)C1CCCc2ccccc21,2.282839546
CN(CC(=O)NC1(C#N)CCCC1)c1ccccc1,1.307196421
CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(O)n2n1,2.227421323
O=C(Nc1cnn(-c2ncccn2)c1)C1CCCCC1,0.675686709
Cc1ccsc1C(=O)NCc1ccc2c(c1)OCCCO2,1.724922732
CC(C)c1nc(CCn2ccnc2-c2ccoc2)cs1,2.368508161
Cc1cnccc1-c1cnc(N(C)C)nc1-c1ccco1,2.145867381
CCc1noc(C2CCC(NCC3CCC(F)(F)CC3)CC2)n1,1.735774498
Cc1[nH]nc(CCC(=O)NCCCOC2CCCCC2)c1C,1.80260271
Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1,0.675686709
Cc1cc(C)n(C(=O)CCCC(=O)n2nc(C)cc2C)n1,2.784436121
CC(C)C[C@@H](C(N)=O)n1ccnc1-c1cccc2ccccc12,2.517362192
Cc1nn(CCNS(=O)(=O)N2CCOCC2)c(C)c1C,0.818555779
CC(C)c1noc(CN(C)C2CCCC2)n1,1.201397124
Cc1c(C(=O)Nc2ccc(CO)cc2)nnn1Cc1ccc(Cl)c(Cl)c1,0.709524356
C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,1.89741814
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C3)c12,0.675686709
COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2,2.174803841
COCc1ncc(CN2CCC(Oc3ccccc3C)CC2)cn1,1.362821635
COc1ccc(C(=O)c2ccccc2)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,1.333265861
CCN(C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1,1.676446677
Cc1nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2[nH]1,0.903632516
CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12,0.89014146
O=C(Nc1ccccc1-n1ccnc1)c1ccc(F)cc1,1.008216802
CC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cn2)CC1,0.675686709
N#Cc1cnc2cc(F)cc(F)c2c1NC1CCN(CC(N)=O)CC1,0.675686709
O=C(NC1CCCCC1)N1CCc2nc3ccccn3c(=O)c2C1,0.675686709
Cc1ccc(CNc2ncnn2C)nc1,0.675686709
COc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1,1.991155165
O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,1.547109837
Cn1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cn1,0.675686709
COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1,0.675686709
Cc1oc(C)c(C(=O)NCC#Cc2ccccc2)c1C,2.028611915
Cc1ccc(CNC/C=C/c2ccccc2)cn1,1.454646716
Cc1cc(C(=O)Nc2cccc3ncccc23)on1,0.675686709
Cc1csc(NC(=O)CCc2ccncc2)n1,0.675686709
CCc1c(-c2ccccc2)[n+]([O-])c2c([n+]1[O-])CCCCC2,0.951677437
CC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,0.675686709
Cn1cncc1CCNC(=O)[C@H]1CC1(C)C,0.675686709
CCCn1ncc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc21,1.44120795
CN1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)C12CCCCC2,2.900687678
CCC(=O)N1CCCC(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2C)C1,2.618841659
Cc1cc(C)c2[nH]c(C(=O)N3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c(C)c2c1,2.144642693
O=C1CNC(=O)N1CCCN1CCc2sccc2C1,0.675686709
O=C(NCCN1CCc2ccccc2C1=O)c1ccncc1,1.13232374
C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,0.675686709
O=c1c(CO)cc2cc3c(cc2n1Cc1ccccn1)CCC3,1.100611753
O=C(NCC1(N2CCCCC2)CCCC1)c1cnn[nH]1,0.675686709
CN(CC1CCC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1,0.887561041
OCCCCCn1cc(-c2ccccc2-c2ccco2)nn1,1.531504463
CC(=O)c1ccccc1-c1cccc(C(=O)NCCCN2CCCC2)c1,0.675686709
CCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1,0.675686709
COCC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)NC(C)C)CC1,2.172170757
Cc1c(C(=O)NCC2CCSCC2)nnn1-c1cccc2cnccc12,2.246993158
COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1,0.787956123
CN1CCC(N(Cc2cccnc2)C(=O)NCCCc2ccccc2)CC1,0.797890483
Cc1ccc(C(=O)N(C)Cc2ccccn2)c(O)c1,0.675686709
CN1CCc2ncnc(N3CCCN(c4nccs4)CC3)c2C1,1.367765791
Cc1nc(CCNc2cnccc2C#N)cs1,1.745191942
C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2cccc3ncccc23)oc1=O,1.867909218
N#Cc1ccccc1CN1C(=O)CCC1=O,0.675686709
Cc1nc2ncc3c(n2n1)CCCC3=O,0.675686709
Cc1nc(C2CCN(c3ccc(F)cc3C#N)CC2)no1,0.98583049
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1,0.675686709
Cc1ccc(C2(O)CCN(Cc3cn(C)c4ccc(F)cc34)CC2)cc1,1.814560548
COc1ccc2ccccc2c1CNC(=O)c1cnc(C2CC2)nc1,1.52748812
NC1CCC(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1,0.675686709
O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)N1CCCCC1,1.653357254
O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1cccnc1)C2,1.105135338
O=C(c1nccc2ccccc12)N1CCC(COc2ccccn2)CC1,1.624776971
N#CC1(NC(=O)c2ccc3c(c2)OCO3)CCCC1,0.675686709
Cc1cc2nc(Sc3nnc(C)n3C)c3ccccc3n2n1,0.675686709
Cc1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,2.177262274
Nc1ccc2c(c1)ncn2-c1ccccc1,0.880356199
COc1ccc(C(=O)c2ccc(C)cc2)c(OC)c1,2.007939713
Cc1cc(C)cc(Oc2cc(C#N)ccn2)c1,1.681340752
CC(=O)N1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c23)CC1,1.633670406
CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,0.675686709
Cc1cc(C(=O)NC(C)(C)C#N)nn1-c1ccc(F)cc1,0.675686709
Nc1nnc(-c2ccc3c(c2)OCCO3)o1,0.675686709
Fc1cc(-c2noc(C3CCN(C4CC4)CC3)n2)cc(F)c1F,1.87478902
COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,0.675686709
c1ccc(-c2nsc(N3CCCN(c4nccs4)CC3)n2)cc1,2.160546559
Cc1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c2c1CCC2,2.092731169
COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1,0.891035415
COCC(=O)N(CC1CCCO1)c1nc2c(s1)CCc1c-2cnn1C,0.799340549
CC(C)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1,0.675686709
COc1ccncc1NCc1ccc2c(c1)OCCO2,1.251492215
CN(C)S(=O)(=O)CCCN1CCc2ccccc2CC1,1.20054956
COc1cc(OC)c(OC)cc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,0.675686709
N#Cc1ccc(CN2CC(n3cccn3)C2)cc1,0.675686709
COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1,1.398183146
CC(C)c1nc2c(n1C)CCN(c1ncnc3ccsc13)C2,1.337279516
CC(=O)N(c1ccc(C)cc1)c1nc(Cn2ccnc2)cs1,1.504362105
Cc1ccc2c(c1)cc(CNCCc1ccccc1)c1nnnn12,2.619907912
CC(C)(C)C(=O)N1CCN(C(=O)CCN2CCOC2=O)CC1,0.675686709
Cc1ccc(OCC(=O)Nc2ccncc2)c(C)c1,1.720200663
CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccccc1C#N,1.806383502
CNC(=O)c1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1,1.216482597
Fc1ccc(-c2nnc(CN3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1,1.467045452
CCc1nnc(NC(=O)Cc2c(C)noc2C)s1,0.675686709
Cc1ccccc1NC(=O)Cn1nnc(C2CC2)n1,0.675686709
Cc1c(Cl)cccc1NC(=O)C(C)N1CCCN(c2nccs2)CC1,2.967351376
Cc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1N1C(=O)CCC1=O,0.675686709
Cc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C,2.704014027
O=C(O)c1ccc(N2CCCC2)c(F)c1,0.675686709
CCn1ncc(CN(C)C(=O)c2ccc(-c3nc(C)cc(C)n3)cc2)c1C,1.285804764
CC(C)c1ccc2c(c1)[C@H](NC(=O)Cn1ccnn1)CCC2,1.94849121
c1cc(CNc2ncc(-c3cnccn3)c(C3CC3)n2)ccn1,1.397870516
CN1C(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C(=O)C1(C)C,1.330088946
Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,2.100608308
CNC(=O)Cc1csc(-c2ccc(C)cc2)n1,2.033568496
O=C(C1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1,2.43650295
O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2cnccc12,1.621996303
Cc1ccc(-c2cnc(N)cn2)c2cccnc12,1.36398783
O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.753451295
Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,0.675686709
CCCc1nnc(N2CCC3(CCCC3)C2)s1,1.938094228
C=CCNc1ncc(-c2cnccn2)c(C2CC2)n1,1.113575717
CCOc1ccc(OCCN2CCN(C(C)=O)CC2)cc1,0.675686709
O=C(CSCCc1ccncc1)Nc1ccccc1,1.291768324
CN(C)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1,0.99895644
Cn1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1,1.330271691
COc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c1,2.123371366
Cc1ccccc1OCCCNc1cc(Cn2c(C)nc3ccccc32)nc(N)n1,2.855807378
COc1cccc(C)c1C(=O)N[C@H](CO)CCSC,1.512324113
COCCN(C)C(=O)c1ccc(-c2cccc(-c3noc(C)n3)c2)cc1,1.057399817
CCN(C(C)=O)c1ccc(C)cc1C(=O)O,0.675686709
Cc1nc(CN2CCC(CNC(=O)COc3ccccc3Cl)CC2)c[nH]1,0.675686709
O=C(COC(=O)c1cc(O)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1,2.993983883
COCc1ccccc1CNc1ccc2cc(C#N)ccc2n1,1.867820908
Cc1cccc(NCCc2cc(F)cc3c2OCOC3)n1,2.598512557
Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccccc2Cl)n1,1.751756258
COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4cncnc4)cc(C)n3)CC1)CO2,1.69720318
Cc1noc(CC2CCN(Cc3cccnc3)CC2)n1,0.754883228
O=C(CCNc1ncccn1)N1CCc2ccccc2C1,1.394083776
CCC(CC)NC(=O)c1ccc(C#N)c(C)n1,0.790144365
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1,1.822599543
O=C(Cc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1,2.265991663
CCOc1cccc(NS(C)(=O)=O)n1,0.675686709
Nc1nc(N2CCN(CC3CCCC3)C(=O)C2)cc(-n2cccn2)n1,1.673665876
CC(C)c1cc(C(=O)Nc2ncccc2Cl)no1,1.94610823
Cn1cc(CN2CCN(c3ccccc3O)CC2)c(-c2ccncc2)n1,1.436623741
CC(C(=O)Nc1ccccc1)N1CCCN(c2nccs2)CC1,2.662653022
COC(=O)c1cc(F)c(C)c(NC(=O)CCCc2ccccn2)c1,2.900555555
O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCC1,0.675686709
COc1cc(C)nc(N2CCN(c3ccc4ccccc4n3)CC2)n1,1.558612583
C/N=C(\NC#N)NCCSCc1nc[nH]c1C,0.675686709
CC(=O)N1CCC(c2ccccn2)CC1,0.675686709
CC(=O)N1CCCN(C(=O)Cc2csc(C(C)C)n2)CC1,0.675686709
CC(=O)Nc1ncc(CN2CCCC[C@@H]2C)s1,0.675686709
COc1ccc(C2(NCc3cccc4ncccc34)CC2)cc1,2.416617211
CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)O)N(C)C1,1.123721006
Cc1ccc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)cc1,1.692406235
Cc1nc(Cl)cc(Nc2ccc3c(c2)N(C)C(=O)CO3)n1,1.538598866
O=C(Nc1nnc2n1CCCC2)c1cscn1,0.675686709
O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1,2.090864442
COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1,1.417069656
CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12,1.607186857
O=C(NCc1ccc(O)cc1)Nc1ccncc1F,0.675686709
CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@@H]2O)CC1,0.905148002
CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,1.781252594
O=C(Nc1cc(Cl)ccc1Cl)c1cccc(N2CCCC2=O)c1,2.194103441
Nc1nncc(-c2ccccc2OC(F)F)n1,0.675686709
O=C(NCCc1cccc2cccnc12)C1CCCCC1,2.199173535
CN(C(=O)C1CCN(c2ncccn2)CC1)C1CCCCCCC1,2.715346394
CC(C)(C)n1cc(CNc2cccnc2)cn1,0.675686709
CCc1cc(CNC(=O)NC2CCN(CC3CCCCC3)CC2)on1,0.675686709
CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3ccc(F)cc3F)CC2)OC[C@]1(C)O,0.675686709
COc1cc(CN2CCC(c3ccnc(C)n3)CC2)ccc1F,1.050689028
CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12,1.604539237
COc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(Cl)cc1Cl,2.207243784
CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1,1.372948806
NC1CCCC1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1,0.675686709
CCn1cnnc1CN(C)C1CCN(c2ccccc2F)CC1,0.675686709
C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1cccs1,2.185986704
CC1CC(N)CCN1C(=O)c1cc(N2CCNC2=O)c(F)cc1F,0.675686709
Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1,0.675686709
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,0.675686709
CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O,2.17668439
CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1,1.620136055
CC(C)N(C)S(=O)(=O)NCCCc1nc2cc(Cl)ccc2[nH]1,2.12602745
CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2)CC1,2.313316625
N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]12,0.675686709
O=c1[nH]nc(CCCN2CCOCC2)n1-c1cccc(Cl)c1,0.675686709
O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)cccc1I,0.675686709
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1,1.506071875
CC(C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1,3.328241341
CCOc1ccc2c(c1)cc(CN1CCSCC1)c1nn(C)c(=O)n12,1.944832928
Cc1nc(NCc2ccc(F)cc2)n(C)n1,0.675686709
O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1,2.080370307
CN(CCN1CCCCC1)c1cncc(C(N)=O)n1,0.675686709
COc1cc2c(cc1NC(C)=O)oc1ccccc12,2.067691896
CCCC(=O)Nc1ccc(-n2cccn2)nc1,0.675686709
CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc(F)cc2)C1,2.35761091
Cc1cccc(C)c1CNC1(CCO)CCOCC1,0.675686709
COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC,1.567191108
CC(=O)NCc1ncc(-c2ccccc2C(=O)O)cn1,0.675686709
Cc1nc(C)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)s1,1.139060079
CN(Cc1ccc(N)nc1)c1ncccn1,0.675686709
CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccnn1C,0.675686709
CCN1CCCN(C(=O)Nc2ccc(COC3CCCC3)cc2)CC1,0.800854492
CN(c1ccccc1N)S(C)(=O)=O,1.008088936
CC(C)c1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1,1.65891722
COCc1ccc(SCC(=O)NC2CCCC2)cc1,1.521974472
CC(C)CCN1CCn2c1nc1c2c(=O)n(C)c(=O)n1C,1.420764137
Cn1c(=O)c(C(=O)CSc2nc3ccccc3n2C)c(N)n(Cc2ccccc2)c1=O,2.92364496
O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)C1CCCCC1)C2,1.299136694
CCCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)n2ncnc2n1,1.155244917
Cc1csc(CCNc2ncccc2C#N)n1,1.863310961
O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1,1.081563321
CC(=O)N[C@H]1CCN(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)C1,1.803341015
Cc1n[nH]c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2,1.970035226
CN(C)c1ncc(CN2CCC(Cc3ccc(F)cc3)CC2)s1,1.634698895
NC(=O)c1cnc(N2CCc3[nH]nc(C(F)(F)F)c3C2)c(Cl)c1,0.675686709
O=c1c2cnccc2ncn1Cc1ccc2c(c1)CCCO2,1.661651806
CC(C)C(=O)N1CCn2nc(CNC3CCc4ccccc4CC3)cc2C1,0.675686709
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O,0.675686709
Cc1nccc(-c2cccc(-n3ccnc3C(C)C)c2)n1,1.549260818
CCOc1ccc(CC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1OCC,2.270932586
Cc1nc(N2CCNCC2)c2cnn(C)c2n1,0.675686709
Cc1nccn1CCCN1C(=O)SC(C)(C)C1=O,0.675686709
Cc1nccc(-c2cn(Cc3ccccc3)c3cnccc23)n1,1.710749017
O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC(Oc2cccnc2)CC1,2.831694486
O=C1NC2(CCCCC2)C(=O)N1Cc1csc(-c2ccccc2)n1,1.375407533
NCCOc1cccc(CC(=O)N2CCC(F)(F)CC2)c1,0.675686709
COc1ccc(C)nc1-c1ccc(OC)c(OC)c1OC,0.675686709
CN(C)C(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1,0.675686709
Cc1ccc(CCNC(=O)N2CC(C)(C)OC(C)(C)C2)cn1,0.818357878
Cc1nc(NCc2sccc2C)n(C)n1,0.675686709
Cc1cc(C)cc(C(=O)Nc2c(C#N)cnn2C)c1,1.435939875
CSc1ncccc1C(=O)Nc1ccc(-c2nnc(C)[nH]2)cc1,0.675686709
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1,2.07120796
CSC1(CNc2cncc(Cl)n2)CCOCC1,1.006893708
Fc1cccc2c1CN(Cc1c[nH]nc1-c1cccnc1)CC2,1.968226032
CCc1cc(CNC(=O)Nc2ccc(N3CCSCC3)cc2)on1,1.554755591
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCCNc2ccccn2)[C@@H]1O,2.507289031
CC(C)n1nnnc1-c1ccc(N)cc1F,0.675686709
O=C(NCc1ncc(-c2ccccc2)o1)C1CCCCC1,1.621747346
CC(C(=O)Nc1ccc(C(N)=O)cc1)N1CCCC(c2nc3ccccc3o2)C1,2.262629043
O=C(Cn1ccnc1)NCc1ccccc1F,0.675686709
O=c1c2ccccc2nc2n1CCN(Cc1ccc(F)cc1)CC2,1.56944414
Cc1ccsc1CN(C)C(=O)[C@@H]1CCCN1C(=O)NC(C)C,1.114644339
CCN(CC)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1,1.84105899
CCCn1ncc(CN2CCC(c3cc4cccnc4[nH]3)CC2)c1C,1.621280168
CC(=O)N1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1,2.01371757
O=c1c2sccc2nc2n1CCN(Cc1cc(F)ccc1F)CC2,2.081203239
O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cnc(Cl)c(Cl)c1,1.528543921
Fc1ccc(F)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,2.020460728
Cc1cc(CCCC(=O)NC[C@H]2CC[C@H](c3ccc(C(N)=O)c(C)n3)CC2)ccc1F,2.329509744
CON(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1,1.739983503
COc1ccc(CNCc2cccc3ccccc23)cc1,2.286790932
COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(C)cc4)on3)CC[C@@H]2O)c1,1.915204543
COc1ccc(-c2ccc(CN(CCN(C)C)Cc3ccncc3)cc2)cc1,1.50370899
CC(C)C[C@@H](CO)n1cc(-c2ccccc2Cn2cccn2)nn1,2.003417445
COc1ncccc1CNc1ncnc2c1cnn2C,0.675686709
Cn1c(=O)n(Cc2cccnc2)c(=O)c2ccc(C(F)(F)F)nc21,0.675686709
CC(C)c1nnc(CN(C(C)C)C2CCOCC2)o1,0.829175074
O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@H]3CCC[C@@H]3C(=O)O)cc2)cc1,1.0548045
COc1ccc(C(=O)c2ccc(Cl)cc2)c(OC)c1,1.941317597
Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1,1.914642427
COc1cccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)o2)c1,2.421791423
CSC1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1,2.077575009
CN(C)C1(CNC(=O)Cn2ccc(=O)cc2)CCCCC1,0.723947976
CCCn1ncnc1-c1ccccc1SC,1.916432891
Nc1cnn(CC(=O)N2CCCCC2)c1,0.675686709
O=C(CC1c2ccccc2CCc2ccccc21)NCCN1CCOCC1,2.117606004
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)COc2ccc(F)cc2)n1,0.675686709
COc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4)c23)cc1,1.895030067
CCN(Cc1cnn(C(C)C)c1)C(=O)NCCC(C)(C)OC,0.751587005
Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cn1,0.675686709
CC(C)(C)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc(C(C)(C)C)c1,1.952101391
Cc1ccc(NS(C)(=O)=O)c(C(=O)N(C)c2ccc3ccccc3c2)c1,1.092720645
Cc1noc(C)c1-c1cc(-c2ccccc2Cl)nc(C2CC2)n1,1.338536173
O=C(OCC1CCSCC1)c1cccc(-n2cccn2)n1,2.831560733
N#CC1(NC(=O)Cc2cc3c(ccc4ccccc43)o2)CCOCC1,1.94107891
COc1c(C)cnc(CN(C)S(N)(=O)=O)c1C,0.675686709
O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCCNC1,1.162026432
Fc1cncc(-c2cnc(NCc3ccc(Cl)c(F)c3)nc2)c1,1.174350597
Cn1ncc2c1CCc1sc(NC(=O)c3cccnc3)nc1-2,1.221153322
Cc1oc2ccccc2c1CNc1nnc(-c2ccncc2)o1,1.523538372
CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2,1.503041253
COc1ccccc1-c1nc(C(=O)O)cs1,0.675686709
CCOc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1,1.087035665
c1ccc2c(c1)CN(c1cnc3ccccc3n1)CCN2,1.972836686
Cc1cccc(C(=O)NCC#Cc2ccccc2)n1,1.582381577
CCc1nnc(NC(=O)c2ccc3cc(OC)ccc3n2)s1,1.554864538
CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,0.675686709
CC(C)c1cnc(COc2ccc(Br)nc2)o1,1.863370451
CC(=O)N1CCC2(C=Cc3cc(C)c(C)cc3O2)CC1,1.092194121
C#CCNC(=O)Cc1coc2cc(OC)ccc12,1.188647296
Nc1ccc(Cl)c(NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1,1.966113561
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)COC)n1,0.675686709
Cn1c(SCOCc2ccccc2)nnc1C1CC1,1.433625845
Cc1cnn(Cc2nnc(-c3ccccc3)s2)c1,1.643383579
O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1,0.675686709
CN(CC1(CO)CCCC1)C(=O)CCN1CCCCC1=O,0.675686709
CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)nc2)CC1,0.675686709
CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1,1.195124423
Cc1ccc(C(=O)NCCc2ccc(F)cc2)o1,1.342343711
O=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1,0.675686709
CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1,2.095078646
c1cncc(-c2nnc3n2[C@H]2CN(Cc4cccs4)C[C@H]2CC3)c1,0.858236335
NC1CC(NC(=O)c2ccc(-c3cn[nH]c3)cn2)C12CCC2,0.929827481
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1,1.950506026
CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1,0.943791199
CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1,0.869173027
N#Cc1nc(-c2ccccc2)oc1NCc1ccc2c(c1)OCO2,2.318165633
CC(C)c1cc(N2CCc3[nH]nc(C4CC4)c3C2)n2nccc2n1,1.847270275
Cc1cccc(NC(=O)c2ccc3ccccc3c2)n1,1.962748053
N#Cc1ccc(NS(=O)(=O)c2c[nH]c3nc(Cl)ccc23)c(F)c1,0.675686709
CCc1noc(CN2CCCN(C(C)=O)c3ccccc32)n1,1.707289071
O=C(c1ccc(NS(=O)(=O)c2cccc3cnccc23)cc1)N1CCCC1,1.427112676
CC(=O)Nc1ccc(CNCCOc2ccc(F)cc2F)cc1,1.097500252
O=C(Nc1cccnc1)c1ccccc1Cc1ccccc1,1.53058386
O=C(NCCCn1ccnc1)N1CC2(CCCC2)c2ccccc21,1.838042695
Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1,0.927934682
CNc1nc(C)cc(C(=O)Nc2ccc3[nH]ncc3c2)n1,1.328705712
c1cnc(-n2cccn2)c(CNC2CCCC2)c1,0.675686709
Cn1ncnc1NCc1cc(F)cc(F)c1,0.675686709
NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)C1(c2cccc(F)c2)CCOCC1,1.575834185
Cc1nc(-c2ccccc2)nc(O)c1C,1.286209386
CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CC1,0.675686709
CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,2.547455942
COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1,2.515428729
O=C(COCC1CC1)N1CCCc2ncccc21,1.139060079
Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1,0.948364056
Cc1ccc(C(=O)C(=O)Nc2c(C)nn(C)c2C)cc1,1.300073495
NC(=O)c1noc([C@@H](CCCC2CCCCC2)CC(=O)NO)n1,0.863798539
OCCOc1ccccc1OCc1ncc(Cl)cc1Cl,1.686126613
CCCNC(=O)c1ccnc(N(C)C)c1,1.590942096
COc1cc(CN2CCCNCC2)cc2c1OCO2,0.713742478
Nc1cncc(-c2ccc(CN3CCCCC3)cc2)c1,1.609423646
O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,2.09871985
c1ccc(-c2cn(C3CNC3)nn2)cc1,0.675686709
COCCNC(=O)c1ccnc(C2CCNCC2)c1,0.675686709
CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)OC[C@]1(C)O,1.892484179
O=C(c1ccccc1F)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,1.795344637
CC(=O)NC1CCC(NCCSc2ccc(C)cc2)CC1,1.808946556
O=C1CCCN1C(=O)COc1cccc(-c2nnco2)c1,0.675686709
Cc1csc2nc3n(c(=O)c12)CCNCC3,0.893539844
Cc1ncc(CCN2C(=O)NC3(CCCC3)C2=O)s1,0.675686709
O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1,1.52170021
O=C(c1cccs1)N1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1,0.762002969
CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1,2.429718375
CCN(Cc1cccs1)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.17829189
CC(=O)Nc1ccccc1OCCOc1ccc(Cl)cc1,1.981184137
Fc1ccccc1-c1noc(-c2ccc(NCCc3cnccn3)nc2)n1,1.007064656
OC[C@H](Nc1cncc(-c2ccc3[nH]ncc3n2)c1)c1ccccc1,0.991226076
O=C(Nc1cccnc1)c1ccnc(NC(=O)C2CC2)c1,0.675686709
O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](O)C1,1.268648165
O=C(Nc1ccccc1)c1scnc1-c1ccccc1,2.040103683
COc1ccc(CN2CC(c3ccncc3)C2)cc1Cn1cccn1,1.034989216
COC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,1.970769805
CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.26131046
O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCc2ccccc2C1,2.229848158
Cc1cc(F)ccc1NC(=O)Cn1cncn1,0.675686709
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,1.884823674
O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCc2ccccc21,1.018034403
COCc1noc(CNC(=O)N(C)[C@@H](C)c2ccccc2)n1,0.675686709
Cc1ncsc1CNc1nnc(-c2ccncc2)o1,0.949438801
COc1cc(CNC(=O)NC2CCCCC2)cc(OC)c1O,0.675686709
Cc1cc(CN(C)C(=O)C(=O)Nc2ccc(F)c(C)c2)no1,1.137923512
N#Cc1cccc(CN2CCN(CCO)CC2)c1,0.798097932
c1ccc(Cc2n[nH]c(CSc3ccccc3)n2)cc1,1.950433012
CC(C)(C)c1cc(C(=O)CSc2nnnn2-c2ccccc2)cc(C(C)(C)C)c1O,1.41703964
CC(=O)Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1,1.590563209
Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1S(=O)(=O)N(C)C,2.635314822
Cc1cccn(Cc2cccnc2)c1=O,0.675686709
Cc1cc(-c2nnc3ccc4ccccc4n23)n(C)n1,0.675686709
Cc1noc(NCc2c(C)nn(C)c2C)n1,0.675686709
N#Cc1cccnc1Nc1cnn(Cc2ccccc2)c1,1.388225573
CN1CCCn2c1cc(OCc1cc(F)c(Oc3ccc(C(F)(F)F)nc3)c(F)c1)nc2=O,1.291146762
CO[C@@H](C(=O)Nc1cc2c(C)cc(=O)oc2cc1C)c1ccccc1,1.10761693
Cc1nc2ccccc2n1CCNc1ncccn1,0.675686709
Cc1nn(C(F)F)c(C)c1CC(=O)NCCNC(C)(C)C,0.675686709
C=CCN(Cc1cccnc1)c1nc(C)nc2sccc12,2.273702525
Fc1cc(Br)ccc1CNCc1ccccn1,1.423032772
COc1ccc(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1OC,2.077560479
Cc1cc(C)n(-c2ccc(CNC(=O)C3CCC3)cn2)n1,0.987934265
CC(C)NC(=O)CN(C)c1ccc(Cl)c(C#N)n1,0.675686709
CCOc1ccc2nc3c(cc2c1)CN(CCOC)C(=O)O3,1.080626487
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,1.64823312
CNC(=O)CN(C)c1cccc(F)c1C#N,0.675686709
CC(COc1ccccc1Cc1ccccc1)N1CCCCC1,1.095901279
Cc1csc(N2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)n1,1.356121506
Cc1cc(NC2CCCC2)nc(C2CCNCC2)n1,0.675686709
Cc1nc(-c2ccncc2)cc(N2CCC(CO)CC2)n1,0.675686709
O=c1c2ccccc2cnn1Cc1cccc(OCC(F)(F)F)c1,0.675686709
CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1,0.988068203
CC(C)(C)c1ccc(C(O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1,1.661291977
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)C2CN(Cc3ccc(Cl)cc3)C2)n1,0.937517892
Cc1ccc(C(=O)N(C)C)cc1NS(C)(=O)=O,0.675686709
CCCS(=O)(=O)c1nc(NC2CC2)cc(-c2ccc3c(ccn3C3CC(C)(C)NC(C)(C)C3)c2)n1,1.708803183
COc1ncnc(C)c1-c1cccc(OC(C)C)c1,1.802889978
CN(Cc1n[nH]c2c1CCCC2)c1nccnc1C#N,1.597409949
C[C@@]12CCCN1C(=O)[C@H](C1CCCCC1)NC2=O,0.675686709
Cc1noc(CCNc2cccc(F)c2C#N)n1,1.6098291
CNC(=O)c1ccc(CN(C)c2c(F)cc(C#N)cc2F)cc1,1.058995094
Cc1cccc(C)c1OCC(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O,0.986278956
N#Cc1nc(-c2ccccc2)oc1NCc1ccccc1,2.293431064
Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C)cc(O)c4c3)CC1)O2,1.264274615
Cc1ccc(-n2nc(NCc3cnn(C)c3)cc2C)cc1,0.675686709
COc1ccc(CCCN2CCN(c3cnn(C)c3)C(=O)C2)cc1F,0.675686709
CN(Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,1.165184952
CC(C)(C=C(C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,2.728516916
c1cnc2c(Oc3ncnc4sccc34)cccc2c1,1.646266456
Cc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1C,0.675686709
Fc1ccccc1CNc1nc(-c2ccccc2)no1,1.389236984
Cc1ccc(C)c(OCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,2.623930185
Cc1cc(NC(=O)c2cccs2)no1,1.597804842
CC(=O)N1CCC(Cn2ccnc2-c2cc3ccccc3s2)CC1,1.66738757
COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1OC(C)C,1.494766629
C#CCN1CCN(Cc2nc(O)cc(C(F)(F)F)n2)CC1,0.675686709
CC(C)CCNC(=O)CSc1nc2ccccc2[nH]1,2.056447458
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1,1.245438634
COc1cccc(C)c1C(=O)N(C)CCCn1cccn1,1.579577829
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1,0.675686709
CC(C)Oc1cccc(C(C)NC(=O)c2ccnc(-n3cncn3)c2)c1,1.850155922
CN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4cccs4)n3)C2)c1,2.6977575
O=C(NC1CCCC1)c1cc(C2CC2)nc2ccccc12,1.791360769
Cc1cc(Nc2cnccn2)cc(C2CCCN(CC(=O)N3CCCC3)C2)n1,0.734719842
C[C@@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O,1.311160273
CS(=O)(=O)CCNc1ccc2ccc(F)cc2n1,1.193068916
O=C(c1cccc(Nc2ncccn2)c1)N1CCOCC(Cc2cccc3ccncc23)C1,2.448098501
COC(=O)C1=NOC2(CCN(CCCCCF)CC2)C1,2.299204298
CC(C)(C)C(=O)N1CCC(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1,1.345059906
COc1cc(F)c(NCC(=O)Nc2ccc(C)cc2)cc1OC,1.50134687
CCCN1CCCN(c2ncccc2C#N)CC1,1.468893548
CC(C)(C)C(=O)N1CCC(CN2CCCC[C@@H]2CO)CC1,0.675686709
CC(C)(C)OC(=O)NCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1,1.9259718
CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc(C(N)=O)c1,0.675686709
Cc1ccc(-n2cc(C(=O)NCCN(C)C)nn2)cc1C,0.675686709
O=C(Nc1ccccc1)N1CCCc2cnc(N3CCOCC3)nc21,0.675686709
Cn1ccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n1,0.675686709
NC(CO)(CO)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl,0.80140371
NCC1CCCC1NC(=O)c1cc(N2CCNC2=O)ccc1F,0.675686709
O=C(CN1CCc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1,2.049624983
CCc1nc2ccccc2n1CC(=O)N1CCNC(=O)C1,0.675686709
CN(C)c1cccc(Cn2ccnc2-c2ccc(O)cc2)c1,1.890180609
CC(=O)NC1(C(=O)N2CCCN(C3CC3)CC2)CCC(C)CC1,1.442181775
Clc1ccc(CSc2nc(-c3ccccc3)c[nH]2)cn1,2.360279033
Cc1ccc2cc(C(=O)N(C)CCC#N)[nH]c2c1,1.790981448
CNC(=O)c1ccc(N(C)C2CCC2)nn1,1.394504213
CC(O)(C#Cc1ccc2c(c1)N(c1nc(N)ncc1Cl)CC2)c1nccs1,1.860308054
Cc1nc(C)c(C(=O)NCc2ncoc2C)s1,0.675686709
Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2[nH]c(C#N)cc12,2.044755286
c1ccc(-c2n[nH]c(C3CCN(c4cnc5ccccc5n4)CC3)n2)cc1,1.02796086
CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,0.932980822
O=C(Nc1nncs1)c1cccnc1,0.675686709
O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O,1.725970509
O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1,1.309417226
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1,1.588831726
CC1CCC(CNC2(CCO)CCOCC2)CC1,0.675686709
CC1=C(Br)CN(CCc2nc3ccccc3c(=O)[nH]2)CC1,2.123841845
Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccc(F)cc4C)cc32)cc1,2.269490384
O=C(NCC(=O)N1CCN(C2CC2)CC1)c1ccccc1,0.675686709
NC(=O)c1cccc(Cn2cnc3c(oc4ccccc43)c2=O)c1,0.675686709
CCc1nc(CN2C(=O)COc3ccc(F)cc32)cs1,1.813694384
N#Cc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1,0.764176132
Cc1cc(SCc2ccc(Cl)nc2)nc2ccccc12,2.515025612
Cn1cc(C(C)(C)NC(=O)C#Cc2ccc3c(c2)OCO3)cn1,0.675686709
CCS(=O)(=O)N1CCC(C(=O)N(C)C2CCCCCCC2)CC1,2.1225599
O=C(O)c1csc(Cc2ccc(Cl)cc2)n1,0.675686709
CC(C)Cc1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)n[nH]1,1.331690426
Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCCO,0.675686709
O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1,0.844725628
Oc1cccc(CN2CCN(c3ncc(Br)cn3)CC2)c1,1.467193589
COc1cccc(-c2nc(C(=O)O)cs2)c1OC,0.675686709
Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)[C@H]1CCCO1)CCC2,1.526093625
Cc1nnc(NCC(=O)N2CCc3sccc3C2)c(C#N)c1C,1.237367773
CCN(CC)C(=O)Oc1cccc2cccnc12,1.313403163
Clc1cccc(CNc2nc(C3CC3)no2)c1,1.342442421
O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3sccc23)CC1,1.543943942
Cc1n[nH]c(C)c1CCCN(C)c1cncc(C(=O)N(C)C)n1,1.941302683
CN(C)C(=O)c1ccnc(NCc2cccc(C#N)c2)c1,0.675686709
COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1Cl,1.724816353
O=c1c2cccn2c2ccccc2n1CCCN1CCC(c2ccc(Cl)cc2)CC1,2.262477194
O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1,2.168724295
COc1ccccc1OC1CCN(Cc2ccccc2C#N)CC1,2.341915049
O=c1n(Cc2ccncc2)nc2n1-c1cc(Cl)ccc1C1=NCCN12,1.300704153
NC(=O)CCCSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1,1.615466064
Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1,1.657199319
O=C(Nc1ccccc1)Nc1ccccc1,1.204391332
N#Cc1ccnc(Nc2ccc(F)cc2)c1,2.214263518
CCCc1noc(CN2CCN(c3ccccc3OC)CC2)n1,1.432151214
O=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl,0.675686709
COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1,1.644123341
COc1ccccc1-c1cc(C(C)(C)C)nc(-c2ncccn2)n1,1.355853636
CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCC1,0.675686709
O=C(CSc1ccccn1)N1CCSc2ccccc21,2.629072023
Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,1.827771877
COc1ccc(-c2nc(NC(C)C)ncc2-c2ncc[nH]2)cc1,1.427518566
Cc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)c2ccc(F)cc2n1,0.831357785
N#CCNC(=O)c1ccc(C#N)c(Cl)c1,0.675686709
O=C(NC1CC1)c1cccc2cccnc12,0.718335579
CN(C)Cc1ccc(-c2ccccc2C(=O)O)cc1,0.675686709
C[C@]1(O)CN(C(=O)Cn2cnc3ccccc3c2=O)CC[C@@H]1Oc1ccccc1,0.853576544
Cc1ncc(-c2ccccn2)c(CCNC(=O)C2CCCC2)n1,0.864392405
Cc1ccc(-c2ccc(N(C)CCO)nn2)c(-n2cccn2)c1,0.675686709
COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1,0.675686709
O=C(NCCc1ccc2c(c1)OCO2)Nc1ccncc1,0.920175522
Cc1ccc(-n2nc(C(=O)N3CC(O)C3)c3c2CCCC3)cc1,1.726824975
COc1ccc(CC2CN3CCN(C(=O)OCc4ccccc4)CC3CO2)cc1,1.521504202
CCc1ccc(CNc2nncs2)o1,0.890309217
CC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCCC3)C2)n1,0.801472314
O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1,1.908683355
COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3cnccn23)cc1,2.829621496
CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1,1.673849977
O=C(CNC(=O)c1ccccc1Cl)Nc1cccc2c1CCCC2,1.778230864
C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1,2.282135893
Cc1cccc(N(C)Cc2cnc(N(C)C)nc2)n1,1.761431648
Cc1ccc(F)cc1C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1,0.94156112
COc1cc(CNc2nnn[nH]2)cc(Br)c1OCc1ccc(Cl)cc1,1.020858282
Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1,0.675686709
O=c1cc2c(n[nH]1)-c1cnc(N3CCCC3)nc1CC2,0.823669813
O=C(NCC1CC1)c1ccc(-n2ccnc2)nc1,0.675686709
N#Cc1cccc(-c2ccc3[nH]ccc3c2)n1,2.475201781
Cc1nccc(NC(=O)CCc2ccncc2)c1Cl,0.675686709
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C)cc3)CCC2)cc1,2.362198803
COCc1ccc(-c2nc3c([nH]2)c(C)nn3C2CCCCC2)o1,1.714111719
CC(C)(C)C(=O)N1CCC(NS(C)(=O)=O)CC1,0.675686709
Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1,2.079575551
Clc1cnc(NCC2(CN3CCCC3)CC2)nc1,0.675686709
N#CCc1ccc(OCc2ccncc2)cc1,1.726572367
c1ccc(C(c2ccccc2)c2noc(Cn3cnc(C4CC4)n3)n2)cc1,1.579360525
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)c2oc3ccc(Cl)cc3c2C)n1,1.650773629
Cc1cnc(N2CCSCC2)nc1N1CCSCC1,2.285411019
Cc1cc(N(C)C)nc(-n2ccnc2)n1,1.599162287
NC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1,0.675686709
Cc1cc(F)ccc1C(=O)NCc1ccc(O)c(O)c1,0.675686709
CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\O)[nH]2)cc1,1.105237601
CN(C)c1ccc(C(=O)N2CCN3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1,1.477237051
Cn1cc(NC(=O)c2csc(Cc3ccccc3)n2)cn1,1.375590463
CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1,0.881384657
CC(C)(O)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1,0.921842481
Cc1ccc(-n2c(S)nnc2-c2ccc(O)cc2)c(C)c1,1.006380459
COCCc1noc(CN(C)C(=O)c2ccc3c(c2)CCC3)n1,1.018742096
O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.539561584
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1,0.675686709
CN1CCC(O)(CNS(=O)(=O)CC2CCCCC2)CC1,0.675686709
N#Cc1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1,2.10850752
O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CCCc2ccccc2)C1,2.031913164
COc1cc(C#N)ccc1Cn1ccnc1C(C)C,1.237945677
Cc1nc(O)cc(C2CN(C3CCCCC3)C2)n1,0.675686709
COc1ccccc1CNC(=O)C(C)N1CCCN(c2ccccc2C#N)CC1,3.339893263
OCc1nnc(SCCSC2CCCCC2)n1C1CC1,1.461843544
CN(CC(=O)Nc1ccncc1)C1CCCC1,0.675686709
CN(C(=O)c1cc(N2CCNC2=O)ccc1F)C1CCNC1,0.675686709
Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@@H]3CCOc4cccc(C)c43)c2n1,1.92224264
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,1.515038878
O=C(CSc1nnc(-c2cccs2)[nH]1)N1CCCCCC1,1.595231596
COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1,1.666059108
CCCCCCNc1ncnc2[nH]ccc12,1.850480817
COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,0.675686709
COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(C)=O)C1)CC2,0.675686709
Cc1oc(C)c(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1C,2.961988865
Cc1noc(C)c1CCC(=O)Nc1cccnc1,0.675686709
O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(-c3ccccc3)cccc12,1.176987875
Cc1ccc2[nH]c(C3CCN(C)CC3)nc2c1,1.945872163
CCN(CC)CCCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1,0.710202015
COCC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1,1.223158342
CCOc1ncccc1-c1cc(Cl)ccc1O,1.77755006
c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1,1.837158981
COc1ccc(Nc2ncnc3sccc23)c(OC)c1,1.951084836
COc1cc(CN2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)cc(OC)c1OC,0.675686709
COC(=O)C1=NOC2(CCN(CCC(C)(C)C)CC2)C1,2.159209144
CCc1ccccc1NC(=O)CCn1ccnc1-c1ccc2c(c1)OCO2,2.100329182
COc1ccc2c(c1)CCCN(C(=O)NCCc1ccccn1)C2,2.241608732
CCNc1ccnc(-c2cccc(C(=O)NCCCc3cnn(C)c3)c2)n1,1.416474079
CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2ccccc2O)CC1,2.190611798
COc1ccc(CNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1,1.537214439
CSc1ccc(C)c(C(=O)NCCN2CCC(C)CC2)c1,1.597168449
Cn1nc(-c2cn(Cc3ccc(CO)cc3)nn2)c2c(Cl)cccc21,1.001171015
Cc1cc(C(=O)NC2CCN(c3ncnc4sc(C)c(C)c34)CC2)on1,1.636888907
Cc1nc(CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(NC2CCCC2)n1,2.395766581
Cn1c(-c2n[nH]c3c2CCCC3)nnc1N1CCC2(CNC(=O)C2)C1,0.675686709
c1ccc(COc2ccc(CNCC3CCNCC3)cc2)cc1,0.675686709
O=C(Nc1ccc(Cl)nc1)NC1CCN(C2CCCC2)CC1,0.675686709
Clc1cccc(Cl)c1Cc1n[nH]c(CCCn2cccn2)n1,1.999748036
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccn1,1.503136707
CC1CCN(CCNC(=O)c2ccncc2)CC1,0.675686709
O=c1oc2cccnc2n1Cc1cnn(-c2ccccc2)n1,0.675686709
CC(=O)c1ccc2c(c1)CCN(CC1CCC3(CC1)OCCO3)CC2,0.675686709
Cc1ccccc1-n1c(CC2CCN(C(=O)C3CC3)CC2)n[nH]c1=O,0.675686709
Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3F)C2)n1,2.059949454
Cc1nnc(NCCc2ccc3c(c2)OCO3)c(C#N)c1C,1.7170544
CNC(=O)Cc1noc(-c2ccc3ncccc3c2)n1,0.675686709
Cc1cccc(NCCN2C(=O)CCC2=O)n1,0.675686709
CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,1.422130026
Cn1cc(Nc2nccc(N3CC4CCC(C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1,0.860996437
Cn1c(CNC(=O)Cc2cccc3ccccc23)nc2ccccc21,2.272319764
CC(=O)NCCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1,0.982904118
c1ccc(-c2noc(C3CCNCC3)n2)nc1,0.675686709
Fc1ccccc1CN1CCN(c2ncccn2)CC1,1.927878283
Cc1cnn(Cc2cc(F)ccc2F)c1N,0.825815445
CCOc1cc2c(cc1CCC(=O)N1CCC(Cc3ncncc3C(N)=O)CC1)CCC2,2.751297584
CSc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1,2.243856233
Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1,1.445993182
C[C@]1(O)CN(C(=O)Cn2cnc3ccccc32)CC[C@@H]1Oc1ccccc1,0.74390155
Cc1c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc2c(F)cccc12,1.765415205
Cc1nnc(N2CCCSCC2)c(C#N)c1C,1.553118092
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,1.458411201
COc1ccc(OCc2n[nH]c(-c3ncoc3C(C)C)n2)cc1,1.25022477
COc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1,1.928436822
Cc1nc([C@H]2CC[C@H](CNC(=O)CN3CCC(c4ccccc4)CC3)CC2)ccc1C(N)=O,1.57209289
Cc1cc(C)n(-c2cc(Nc3ccccc3C)ncn2)n1,1.775828814
CN(C)CCN(Cc1ccccc1)Cc1ccccc1O,2.518487618
CCCNC(=O)C1(Cc2ccccn2)CCOCC1,0.675686709
O=C(NCC1CCC1)c1ccc(-n2ccnc2)nn1,0.920384242
O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1,1.471144965
CCN1CCC(Nc2ncnc3c2cnn3C)CC1,1.802363174
CN1CCN(c2ccc3nc(-c4cc(C(C)(C)C)c(OCCCC(=O)NCCCN=[N+]=[N-])c(C(C)(C)C)c4)[nH]c3c2)CC1,2.248341157
CCOC(=O)c1ccc(-n2cc(Cc3cnc(OCC)nc3)c(=O)nc2SCc2ccc(F)cc2)cc1,1.963367491
CS(=O)(=O)CCc1nc(C2(c3ccccc3)CC2)nn1-c1ccccc1,0.7513561
Cc1cnc(CNCc2cccc3c2OCO3)s1,1.518105775
C=CCn1cc(CNCc2csc3ccc(Cl)cc23)c(C)n1,2.540827314
CC(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1,0.675686709
CCCn1ncc2[nH]c(-c3cc(Cn4cncn4)c(C)cc3C)nc21,1.713624927
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F,0.881384657
CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O,1.28427278
COc1cc(CN2CCC(C(=O)N3CCOCC3)CC2)ccc1C,0.97386645
Cc1ccc(C)c(S(=O)(=O)N2CCCN(C3CCC3)CC2)c1,2.329505677
N#CCN1CCC(CNC(=O)c2c(F)ccc(F)c2F)CC1,0.682415862
CC(C)(C)NC(=O)NCCn1nc2c(cc1=O)CCCC2,1.084540532
CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Cl)c1OC,1.32407658
Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(N2CCN(C)CC2)n1,1.244103863
Cc1cc(C(=O)O)nn1-c1ccccn1,0.675686709
N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1,1.048286393
CCc1nnc(N2CCCO2)c(C#N)c1CC,1.220787776
Cc1cc(Nc2nnc(C)s2)cc(C2CN(C(=O)c3c(C(C)C)noc3C)CCO2)n1,1.352876834
CC(C)(CO)NCCCCn1c2ccccc2c2ccccc21,1.734055373
O=C(Cc1cccs1)NCc1ccccc1F,1.319647288
CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1,2.593406811
O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(n2cccc2)CC1,1.188759793
O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCCc1c[nH]cn1,1.562946788
C[C@H]1NC(=O)N(CCc2nc(C(F)(F)F)cs2)C1=O,0.765519543
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,0.675686709
N#Cc1ccc(C(=O)N2CCCO2)nc1,1.575291786
Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2cccnc12,1.545255324
Cc1ccc(C)c(C(=O)Nc2cnc3c(c2)c(C)nn3C)c1,0.814380794
O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.405773101
c1ccc(-c2ccc(Cn3ccnc3-c3cc4n(n3)CCCNC4)cc2)cc1,1.167848799
Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCN(c4cnccn4)CC3)c2c1C,2.357942466
O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(Cc3ccccc3)cccc12,1.524746532
O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(-c3cccs3)no2)CC1,1.056828653
COc1ccc(NC(=O)c2snnc2C)c(OC)c1,1.534495703
CC(C)c1cc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)no1,2.512513633
Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12,0.675686709
CC(C)NCC(O)COc1cccc2ccccc12,1.327231598
Brc1cnc(N2CCCN(c3ccccc3)CC2)nc1,2.081606511
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,1.1700566
O=C(CSc1nc2nc(O)cc(O)c2s1)c1ccc(-c2ccccc2)cc1,2.14248958
CN(C)c1ccncc1CN1CCN(c2ccc(C(N)=O)cc2)CC1,0.675686709
N#Cc1ccc(OC2CCNCC2)cc1,0.675686709
CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1,1.707493529
O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccn2)CC1,1.093771782
CN(CCc1ccncc1)c1ncccc1C#N,1.646403726
OC1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1,0.845903839
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O,0.675686709
Cc1ccc(F)cc1NCc1csc(-c2cnn(C)c2)n1,1.604334073
Cc1csc(CN(C)c2ccnc(N(C)C)n2)n1,1.073058161
COCC1CCN(c2noc(-c3cccs3)n2)CC1,1.597552591
Cc1ccc(=O)n(CC2(O)CCN(Cc3ccc4ccccc4n3)CC2)n1,0.675686709
CC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1,0.675686709
CC(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1,1.145910834
COc1cc(CN(C)C(=O)Nc2cccc(C)c2C)ccc1O,1.188984699
CCn1ncc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c1C,2.356002898
CCCS(=O)(=O)NC1CCN(Cc2ccc(C)c(OC)c2)CC1,1.216746334
Nc1ncc(-c2cccc(C(F)(F)F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1,2.57963614
O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1,2.047734236
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,0.675686709
C=C(C)COc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1,2.062852629
O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1,1.578982843
CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1,0.900913068
CCc1c(C(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)[nH]c2ccc(C)cc12,2.014948742
COc1ccc(CN2CCC(c3nc(C(C)C)no3)CC2)c(F)c1,1.544489726
N#Cc1ccc2ncnc(N[C@H]3CC[C@H](N4CCOCC4)CC3)c2c1,0.983851719
O=C(c1ccccc1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1,0.830716949
Cc1ccc(-n2cc(C)cn2)c(NC(=O)CN(C)C)c1,2.08089333
COc1ccc(OCC(=O)N2CCN(C)CC2)cc1,0.675686709
C[C@@H](c1ccccc1)N(C)C(=O)NCCN(C)CCO,0.675686709
Cn1ccnc1CNc1cc(Br)ccc1-n1cccn1,1.49931585
Cc1cccc2sc(NC(=O)C(C)(C)C)nc12,1.562590225
COc1ccccc1-c1ccc(CC2(C(=O)NC3CC3)CCOCC2)cc1,1.910592392
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1,1.427680816
CCc1ccc(-c2nccn2CC(=O)Nc2ccc(C)cc2F)nc1,1.513270884
O=C(Cc1cccnc1)Nc1ncccc1Cl,0.675686709
COc1ccc(NC(C)=O)cc1NC(=O)CN(Cc1ccccc1)C(C)C,3.128647043
CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(O)nc1,0.675686709
c1cnc(N2CCC(Cc3ccncc3)CC2)nc1,1.039255444
O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1,1.315823458
Cc1cnc(CNC2(c3nccs3)CCCC2)cn1,0.675686709
O=C(NCc1ccccn1)c1ccc(F)cc1Cl,0.675686709
Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1Br,0.675686709
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1,0.675686709
CC(C)c1ccc2occ(CC(=O)O)c2c1,0.675686709
CCN(Cc1ccccc1)C(=O)c1cccnc1N,0.675686709
O=C(NCCc1cn2c(n1)CCCC2)c1ccccn1,0.675686709
Fc1cccc(N2CCCC2)c1CN1CCN(Cc2ccon2)CC1,1.782164352
CCc1nnc(NC(=O)Cc2cccc(F)c2)s1,0.870462432
O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1,1.300117018
Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1,2.749824402
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0.675686709
COc1ccc(CNC(=O)CCSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)cc1,1.71613664
Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)CC1,0.675686709
COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)c(OC)c1,1.637629802
Cc1nnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1,1.081671287
Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCCCC3)cccc2c1=O,1.122936373
COc1ccc2nc(C)nc(NCc3ncc(C)o3)c2c1,1.371751107
NS(=O)(=O)N1CCN(Cc2c(F)cccc2N2CCCC2)CC1,1.383582005
Cc1ccc(-c2ccc(=O)n(Cc3ccncc3)n2)cc1,1.620500418
Fc1cc(CCNc2ncnc3sccc23)c2c(c1)COCO2,2.339252634
Cc1ccccc1C(=O)N1CCC(O)(Cn2ccnc2C)CC1,0.692053365
O=C(CCc1ccc(Cl)cc1)N1CCCC(c2n[nH]cc2-c2cccc(F)c2)C1,2.968260608
Cc1nsc(Nc2ccccc2)c1C#N,2.477524961
O=C(O)c1c2ccccc2nn1Cc1ccccc1,0.675686709
O=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1,1.330494942
CC(C)c1nccn1Cc1nc(-c2cccs2)no1,1.132163596
Cc1ccc(CC(=O)Nc2nc(C)no2)cn1,0.675686709
Cc1ccccc1-c1cc(N)n(Cc2ccccc2)n1,1.52167408
CN(C)CCSc1nnnn1-c1ccc(Br)cc1,1.456214155
COc1ccc(CCn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3cc2=O)cc1,1.730354228
Cc1cc2nc(CCC(=O)N3CCC(c4ccc(C(=O)N(C)C)c(N)n4)CC3)[nH]c2cc1C,2.02843704
CCNc1nc(-c2cccnc2)nc(C)c1C,1.69634765
O=C(NCC1(Sc2ccccc2)CC1)c1ccc(=O)[nH]n1,0.896415976
CN1C(=O)COc2ccc(NC(=O)CCN3C(=O)COc4ccc(Cl)cc43)cc21,2.191260934
CC1CCN(C(=O)CCn2ccc3ccncc32)CC1,2.074893203
CC(=O)N1CCC(Nc2ncnc3cc(-c4ccc(Br)cc4)sc23)CC1,0.806654724
Cc1cccc(NC2CCN(Cc3ccncc3)CC2)n1,1.269676358
Cc1cnccc1NC(=O)COc1ccccc1C#N,1.088100635
CCN1CCN(S(=O)(=O)c2c[nH]c(C(C)C)n2)c2ccccc21,2.412445427
Cc1ccnc(N2CCC(OCC3CCCC3)CC2)n1,2.033697114
Cc1ccc(=O)n(CC2(O)CCN(Cc3cccs3)CC2)n1,0.675686709
CCCNC(=O)C1(NCc2csnn2)CCCCC1,0.870228279
c1ccc(-c2noc(NCC3CCC3)n2)cc1,2.075900822
CSc1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,3.047450887
O=C(NCCc1ccc2c(c1)OCO2)C1CCCC1,1.440121603
CCn1nccc1-c1cc(CC2CCNCC2)ncn1,0.675686709
CC(C)c1cc(N(C)Cc2nc(C3CC3)n[nH]2)n[nH]1,0.675686709
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1,1.152746864
CCn1nc(CNC(=O)C2CCOCC2)c2ccccc21,0.675686709
CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12,2.436576064
Cc1noc(C)c1CS(=O)(=O)Cc1cccc2c1OCCO2,1.600243016
Cc1ccc(CNc2cncc(-n3nc(C)cc3C)n2)cn1,1.370142847
N#Cc1c(O)nc2scc(-c3ccc(-c4ccccc4O)cc3)c2c1O,1.047508506
NC(=O)c1csc(CN2CCc3cc(F)ccc3C2)c1,0.737272177
Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncn1,0.975891136
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1,1.646717325
O=c1c2sccc2nc2n1CCN(Cc1ccc(F)cc1F)CC2,1.762903529
OCC1CN(c2nc3cc(F)ccc3o2)C1,0.675686709
CCCC(=O)NCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,0.675686709
Cn1c(=O)n(C2CCCC2)c(=O)c2c(F)cccc21,1.366665721
COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F,1.224351745
CCOc1ncccc1-c1nc(C)cc(NC)n1,0.675686709
N#Cc1ccccc1Cn1nnc(-c2ccccc2)n1,1.028286509
NCc1nnc(CCc2ccccc2)o1,0.675686709
O=C(c1ccccn1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,2.213581502
CCNC(=O)C1CN(c2cccc(C#N)n2)C1,0.675686709
O=C1CCCN1CCCc1nc(Cc2c(Cl)cccc2Cl)n[nH]1,1.663738607
Cc1cc(Br)cn(Cc2ccc(C#N)cc2F)c1=O,0.675686709
COCCCNc1nnc(-c2ccncc2)s1,1.123165371
Cc1nccc(-c2cccc(NCC(=O)Nc3ccc(F)cc3)c2)n1,1.59216565
CCOC(=S)SCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1,2.426057211
Cc1ccc(CNC(=O)c2cccs2)cn1,0.675686709
Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1,2.10504328
CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@@H](O)CC4)c3)c2C1,1.678964281
Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1,0.675686709
CCCNC(=O)c1ccc(OC2CCN(C)CC2)cc1,0.675686709
COCCNc1c(C)c(C)nc2cc(-c3nccn3C)nn12,1.323685147
COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1,1.16790781
c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,1.358011032
Cc1cccc2cc(C(=O)NCCCn3nnc4ccccc43)n(C)c12,2.512300084
Cc1ccc(C(=O)NC[C@H]2Cn3ccnc3CO2)cc1,0.675686709
COCCS(=O)(=O)N1CCC2(Cc3ccccc3C2)C1,1.282576801
CCc1cc(N(C)Cc2ccc(N)nc2)nc(C)n1,0.675686709
Cc1c[nH]c(C(=O)NCC2(N3CCCCC3)CCCC2)n1,0.882011962
NC(=O)c1cnn(Cc2cccc(F)c2)c1,0.675686709
Cc1cc(C#N)cc(N2CCc3c(ncn3CCc3ccccc3)C2)n1,2.988805463
Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc32)cc1,2.387151611
Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,0.675686709
Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,1.155882358
CN(C)c1ccnc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1,1.876240941
O=C(NCc1nnc2c(O)nccn12)C1CCCC1,0.675686709
CC1(C(=O)O)CCN(Cc2ccccc2)CC1,0.675686709
O=c1n(CCn2ccnc2)nnn1-c1cccs1,0.675686709
O=C1C(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1c1ccccc1,0.686993566
O=C(CSc1ccc2c(c1)OCCO2)NC1CCCC1,1.923197374
FC(F)(F)c1nc(Nc2ccc(-n3cnnn3)cc2)c2ccccc2n1,0.675686709
Cc1ccc(C(=O)Nc2ccccc2C#N)cc1,1.945399644
Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1,0.675686709
Cn1c(=O)oc2cc(NC(C3CC3)C3CC3)ccc21,1.134049543
Cc1nc(CCN2C(=O)NC(C)(C)C2=O)cs1,0.675686709
O=c1[nH]c2ccccc2n1C1CCN(Cc2coc(-c3cccs3)n2)CC1,1.468243915
CCc1nc2cc(-c3c(OC)cccc3OC)ccc2o1,1.695253962
CN1CCC(CNC(=O)c2ncoc2-c2ccc(F)cc2)CC1,0.675686709
O=C(CCn1cncn1)N(CC#Cc1ccccc1)C1CCCC1,2.419345987
CCc1oc2c(-n3cnnc3)cccc2c1C,2.046417117
CN(CCn1cnc(C#N)c1C#N)c1ccccc1,1.719588141
O=C(Cc1ccccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,2.121999497
Cc1cnn(CC(=O)NCCCn2cc(Cl)cn2)c1,0.675686709
CCn1nc(C2CCCC2)nc1-c1ccncc1,1.39054654
Cc1ccc(C)c2nc3c(cc12)CNCCO3,1.374730021
CCCC1(CNC(=O)Cn2ccc(=O)cc2)CCC1,0.675686709
CCn1nccc1CNc1ncccn1,0.675686709
Cc1cccc(NC(=O)c2cccc3ncccc23)c1,1.345863629
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)n1,1.146159056
COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,0.762078087
CC(c1nnc(-c2cccs2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.257318513
Fc1ccc(CNc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,1.978769224
Cc1cccc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)c1,2.159064637
O=C(c1ccc(-c2ccncc2)cc1)N1CCC(F)(F)CC1,0.675686709
Cc1ccc(C)c(NC(=O)c2cccc(-c3ncon3)c2)c1,1.619886029
COC(=O)N1CC(NCc2c(C)nn(C(C)(C)C)c2C)C1,0.675686709
Cc1cc(N2CCCC2)nc(C2CCCN(C)C2)n1,0.964165311
CCOC(=O)c1cccnc1-c1ccc2[nH]ccc2c1,1.936523795
Cc1cccc(CNC(=O)Cn2c(=O)oc3cccnc32)c1,0.675686709
COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3C)C2)o1,2.19966469
Cc1cc(C(=O)NCC2(c3ccccc3)CC2)on1,0.675686709
COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O,2.773559017
CCCc1noc2nc(-c3ccncc3)cc(C(=O)O)c12,0.675686709
N#CCCN(c1ncnc2sccc12)C1CC1,1.042339205
Cc1nc2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2s1,1.009025742
Cc1nn(Cc2csc(-c3cccs3)n2)c(N)c1C#N,1.28316549
CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,1.958442761
CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1,1.201287854
Nc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(CC3CC3)n2)cc1C(F)(F)F,1.11320777
CC(C)c1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1,1.649490631
N#CC1(NC(=O)C2CCCCCC2)CC1,0.675686709
N#Cc1ccccc1NC(=O)CCc1ccccc1,1.203141719
COc1ccc2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2c1,1.140696553
CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(Cc4cccs4)C3)c2n1,1.506505032
O=C(CNc1ccc(C(=O)N2CCCC2)cc1)N1CCCCC1,0.675686709
Cc1c[nH]c(CNCc2ccccc2CC(C)C)n1,1.552022986
CN1C(=O)c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2C1=O,1.266607954
Cc1nn(C)c2nc(C(C)C)cc(C(=O)O)c12,0.675686709
Fc1ccc(F)c(-c2nc(C3CCOCC3)nn2-c2cccnc2)c1,0.675686709
Cc1ccccc1OC1CCN(C(=O)Nc2ccc3c(c2)ncn3C)CC1,1.058350092
Cc1noc(C2CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)n1,1.733165153
Cn1ccc(C(=O)N2CCCC(c3cccc(-c4cccc(Cl)c4)n3)C2)n1,1.799071617
COCCCNc1ncc(-c2cc(C)no2)c(C(C)C)n1,1.523226042
Cc1ccc2oc([C@H]3CCN(Cc4ccc(C#N)cc4)C3)nc2c1,1.617535012
CCCN(C(=O)c1ccc(COC)o1)c1nc2c(s1)CCc1c-2cnn1C,1.878663952
Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12,1.735023717
CC(=O)NCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1,0.675686709
CCCCn1nc(-c2ccc(C)o2)nc1CNC,1.156185573
Cc1nc(C)n(-c2ccccc2NC(=O)c2cc(C#N)cn2C)n1,1.063145637
Cn1cc(NC(=O)c2cnn3cccnc23)c(C2CCCCC2)n1,1.575845718
O=C(CC(=O)N1CCCC1)N1CCCC1,0.675686709
Cc1cccc(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)c1,2.369189873
CONC(=O)c1c2c(nc3ccccc13)CCC2,0.675686709
O=C(CC/C=C/c1ccccc1)Nc1ccccc1N1CCOC1=O,1.51263104
CC(=O)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1,1.045127307
Cc1ccc(S(=O)(=O)N2CCOc3ccncc32)cc1,2.02750454
Cc1cccc(OC2CCN(CC(N)=O)CC2)c1,0.675686709
CC1CCC(O)(CSc2nncn2C(C)C)CC1,0.807196661
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1,0.990827051
CCn1cc(NC(=O)c2ccccc2C)cn1,0.856184927
Cc1n[nH]c(C)c1CCC(=O)N1CCOCC1,0.675686709
Cc1ccc(C)c(S(=O)(=O)N2CCCN(CCn3cccn3)CC2)c1,2.316988798
CN(Cc1nc2ccccc2n1C)c1ccnc(-c2ccccc2)n1,2.021040373
Cc1noc(COc2cccnc2C)n1,0.675686709
CCCCN1CCc2nc3cc(C4CC4)nn3c(O)c2C1,0.675686709
Cn1cc(-c2cccc3c(C(N)=O)cccc23)cn1,0.675686709
CC(C)c1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1,1.505909329
Cc1ncn(Cc2noc(-c3ccccc3O)n2)c1C,1.299093072
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,0.675686709
CSc1ccccc1S(=O)(=O)NC1CCC(CN(C)C)CC1,0.675686709
CCc1cc(-c2ccc(OC)c3nc(C)ccc23)nc(N2CCOCC2)n1,0.804684515
COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(F)cc1F,3.060029646
O=C(c1cc(F)ccc1F)N1CCN(C(=O)C2CC2)CC1,0.675686709
O=C(c1cccnc1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,2.5987369
Cc1ccc(-c2noc3nc(C)cc(C(=O)O)c23)cc1,0.675686709
Cc1c(O)cccc1OCCN1CCOCC1,0.675686709
Cc1ccc(CCNc2nc(C)cc(C)n2)cn1,1.103974669
CCC(=O)N(C)CC(=O)Nc1cccc(F)c1,0.675686709
O=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1,1.714237525
Cc1cc(NC(=O)CCc2c(C)nn(C)c2C)no1,0.675686709
CCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1,0.675686709
Cc1nnc(CN(C)CC(C)Oc2ccc(Cl)c(Cl)c2)n1C,2.121697694
COc1ccc(OC)c(S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)c1,2.765215401
Cc1ncc2c(n1)CN(CCCc1nc3ccccc3o1)CC2,1.926902963
CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21,1.05219358
NC(=O)C1(CCCc2ccccn2)CCNCC1,0.675686709
CC(C)c1noc(-c2ccc(N)cc2)n1,1.673030128
CN1CC(=O)N(CCCC(=O)Nc2cccc(C#Cc3cccs3)c2)C1=O,1.29444418
Cc1cccnc1CN1CCC(O)(c2ccccc2)CC1,0.692670699
O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1Cl,1.915083102
O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCOCC1,1.490969251
Clc1cnc(NCC2(c3ccncc3)CC2)nc1,1.415357362
Cc1sc(-c2ccccn2)nc1-c1ccc(NC(=O)C(C)C)cc1,1.188168859
Cc1nccc(-c2ccc(-c3noc(CN4CCOCC4)n3)cc2)n1,0.675686709
Cc1noc(C)c1N(C)CCn1cncn1,0.675686709
CC(=O)c1cc(Br)cc(F)c1OCc1ccccn1,1.81973472
O=C(CC1CCNCC1)NCCc1ccccc1F,0.675686709
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,1.458063445
O=C(NCCc1cnn[nH]1)C1Cc2ccccc2C1,0.675686709
Fc1ccc(F)c2c(NCc3ccc(N4CCOCC4)nc3)ccnc12,1.608472546
CC1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCOCC1,1.125416198
CN(C)c1cncc(-c2ccc(S(=O)(=O)N(C)C)cc2)n1,1.907368359
COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1,1.198299609
Cc1ccc(OCc2noc(-c3ccsc3)n2)cn1,1.748823493
Cc1csc(NC(=O)c2cccc(C)c2C)n1,2.238856198
CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1,1.412443747
Cc1nc2cc(-c3nccn3C)nn2c(NCCCN(C)C)c1C,0.675686709
O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1,1.553749564
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(S(=O)(=O)C(C)C)CC1,0.675686709
Cc1cccn(Cc2cccc(C#N)c2)c1=O,0.675686709
NCCc1cnn(Cc2ccccc2)c1,0.675686709
Cn1ccnc1C1CCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)CC1,0.675686709
Fc1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)nc2c1,1.94888222
Cc1cccc(NC(=O)c2cncn2-c2ccccc2)n1,1.654898161
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,2.008306285
O=C(NC1CCCC1)C1=CCN(C(=O)C2CC2)C1,0.675686709
Nc1c(C(=O)NCC2CCCO2)sc(=S)n1-c1ccc(Cl)cc1,1.548143692
CN(C)c1ncn(-c2cccc(N)c2)n1,1.185797047
Cc1cc(CSCc2c(C)noc2C)no1,2.113147531
CC#CCCNC(=O)c1cccnc1C,0.675686709
CCNc1ccnc(N(C)Cc2nc3ccccc3n2C)n1,1.469100046
COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC,1.342679234
CC(C)n1cc(CN2CCC(c3nc(N(C)C)no3)CC2)cn1,0.675686709
Nc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl,1.066176786
C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,1.770623763
c1cnc(NCCc2cccc3cccnc23)nc1,2.021338175
CC(C)(O)CCn1cc2cc(NC(=O)c3ccn(C(F)F)n3)c(OCC3COC3)cc2n1,0.675686709
C[C@@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@H](C)O1,1.561387637
COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,1.247703282
CNc1nc(C2CCNCC2)nc2c1CN(C)CC2,0.978134847
CSCc1csc(NC(C)=O)n1,1.283210741
Cc1ccccc1CSc1ccc(-c2ccccn2)nn1,1.980603238
O=C(NCc1cnn2cccnc12)c1ccccc1-n1cnnc1,0.675686709
CN(C)S(=O)(=O)CCCN1CCC(CCC(N)=O)CC1,0.675686709
CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)O,0.675686709
O=C(NCc1cccnc1)c1sccc1-c1ccccc1,1.655032731
Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1.113241232
Cc1ccc(C(=O)N2CCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1F,0.675686709
Clc1ccc(CSc2nc(-c3ccccc3)cs2)cn1,2.344101337
CN(Cc1cnn(C)c1)c1ncnc2c1oc1ccccc12,1.294840836
O=C(O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1,0.688686724
CCCCN(C)C(=O)Nc1cc(C)ccn1,1.615918504
Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccncc4)CC3)cc2c1,1.324817275
CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2C#Cc2ccccc2)CC1,1.916343387
Cc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)o1,0.675686709
Cn1cc(Br)cc1C(=O)N1CCc2nn[nH]c2C1,0.675686709
CC(C)(CNc1cnn(CCO)c1)c1ccccc1,0.92417587
O=C(Nc1nccs1)c1c2c(nc3ccccc13)CCC2,1.119816546
CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cn(C)nn1,1.177276711
Cc1ccc(NC(=O)c2cc(F)cc(F)c2)nc1,2.440759571
N#Cc1c(F)cccc1Oc1cccnc1,0.675686709
Cn1cncc1-c1ncccc1C(=O)N1CCCC1,0.675686709
c1ccc(Oc2cccc(CN(CCN3CCOCC3)Cc3cccnc3)c2)cc1,3.096213889
Brc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)o1,0.675686709
Cc1nnc2ncc(-c3cccc(-c4ccnn4C)c3)cn12,0.675686709
COc1cc(OC)cc(-c2c(C)ncnc2OC)c1,0.675686709
CC(C)c1nnc(CN2CCN(c3nccs3)CC2)o1,0.675686709
CC(C)Cc1n[nH]c(-c2ccc(N3CCN(C)CC3)cc2)n1,0.675686709
O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccnc2)CC1,1.748141493
CNCc1cc(NC)nc(C2CCCN2C(=O)C(C)(C)c2ccc(C)cc2)n1,1.208548842
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1,1.616454508
CCCc1cc(C(=O)Nc2ccc(-c3nnc(C)[nH]3)cc2)no1,2.117234827
Cc1ccc(CNC(=O)c2cccnc2)n1C,0.675686709
O=C(CSc1nccn1C1CC1)Nc1c(Cl)cc(Cl)cc1C(=O)O,1.618654639
Cn1c2cc(S(C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21,0.691788524
Cc1ccc(C(=O)C(=O)NC2CCCC2)cc1,2.016958166
N#CCCCN1CCC(c2c[nH]c3ccccc23)CC1,1.376668186
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1,0.675686709
CN1CCc2ccc(C(=O)NCCC(=O)Nc3cccnc3)cc21,0.791409916
Cc1ncsc1-c1nc(CNc2cc(F)cc(F)c2)no1,1.817671121
Cc1ccc(Cn2nc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,2.256580655
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12,0.675686709
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2ccnc2)nc1,1.419294722
Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1,1.746634199
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,2.7565
O=C(NN1CCOCC1)c1ccc(Cl)c(Cl)c1,0.675686709
CC(C)Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCCC1,0.856003454
CSC1(CNc2cc(C)nc(C)n2)CCOCC1,0.675686709
CNC(=O)c1cnc(/C=C/c2csc(-c3cccs3)n2)s1,1.535926741
CN1CCC(NC(=O)COc2ccc(C#N)cc2)CC1,0.675686709
O=C(CN1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCC1,1.881806762
CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCO2)CC1,2.596224212
COCC1(c2nc(-c3ccncc3)nn2Cc2cccc(Cl)c2)CC1,2.532381056
Cc1nnc(COc2cccc(-n3ccnc3)c2)n1C1CC1,0.675686709
O=c1c2cccnc2ncn1[C@H]1CCCc2ccccc21,0.675686709
Cn1nc(C2CCNCC2)c2cccnc21,0.675686709
CN1CCCN(C(=O)Nc2cccc(OCC(F)F)n2)CC1,0.675686709
COc1ccc(-c2cccc(C3CCCN(CC(=O)Nc4ccccn4)C3)n2)cc1,2.118449915
CCSCCC(=O)NCCn1nc(C)c(CC)c1C,2.164974107
Oc1ccccc1NCc1ccccn1,1.396757118
Cc1nc(C2CCN(CC(N)=O)CC2)no1,0.675686709
Cc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1,1.623693698
CC1(c2nnc(-c3cc(-c4ccccc4)n[nH]3)o2)CCOCC1,1.129883155
Cc1ccc(NC(=O)c2cccc3cccnc23)cc1,2.313700639
NC(=O)COc1ccccc1-c1ccccc1,1.412611726
O=S1(=O)CCN(C2CCN(CC(F)(F)F)CC2)CC1,0.675686709
Cc1cc(C(=O)NCCC2=CSC3=NCCCN23)c2cccc(C)c2n1,0.675686709
CCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12,1.71393553
Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1,2.189582946
COc1cccc(CN(C)c2ncnc3c2CN(C)CC3)c1,1.269419538
O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,1.871082326
COc1cc(C(=O)O)c(N)c(OC)c1OC,0.675686709
CCc1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1,0.686546899
Cc1cc(Nc2ccc3c(c2)oc(=O)n3C)nc(C2CC2)n1,1.37821615
C#CCN1CCC[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1,0.675686709
COc1ccc(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1,1.574575243
CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1,1.36660971
CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc21,2.648072874
CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0.675686709
O=C(CCc1cc2ccccc2o1)N1CCN(c2cnccn2)CC1,1.842453215
Cc1ccc2[nH]c(CNC(=O)c3ncoc3C)nc2c1C,1.132803818
Cc1cc(NC(=O)C2CCOCC2)sn1,0.675686709
CCOCC(=O)Nc1cccc(CN2CCCC2)c1,1.177478783
O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,0.909876818
CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ncccn4)CC3)ccc2c1N,1.505651841
COCC1(CNC(=O)c2ccc(-n3cccn3)cc2)CCC1,1.260357642
Fc1ccccc1-c1c[nH]nc1C1CCCN1Cc1ccc2ncccc2c1,2.601584178
O=C(CN1CCCC1=O)N1CCc2nc3sccc3c(=O)n2CC1,0.675686709
N#CCSCC(=O)NC1CCCCCC1,0.675686709
c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1,1.904109382
Cc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3c2)o1,0.675686709
Nc1nn(C(=O)Cc2ccc(F)cc2)c2cccc(F)c12,1.222091886
CCc1nc(C)cc(N2CCCC3(CCNCC3)CC2)n1,0.675686709
CN1C(=O)COc2cc(NC(=O)C3CC=CC3)ccc21,0.675686709
N#Cc1ccc(OCCn2cccn2)cc1,0.840858554
C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,1.764728927
COc1c(N)ncnc1N1CCCC(C)(C)CC1,1.5704145
CCCCc1c(C)[nH]c2nc(N(Cc3cccs3)C(C)=O)nn2c1=O,1.137733795
CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O,0.675686709
Cc1nccc(-c2cccc(NCC(=O)N(C)c3ccccc3)c2)n1,1.341474094
COc1cccc(CNC(=O)C2(C#N)CCOCC2)c1,0.675686709
Cc1ccc(N2CCN(C(=O)c3c(C)nc4sccn34)CC2=O)cc1,0.675686709
Nc1nccc2ccc(-c3cccc(F)c3)cc12,2.31936635
CCc1cc(=O)[nH]c(SCCCCC2CCOCC2)n1,1.533606848
COc1ccc(Br)c(-c2nnc(N)o2)c1,1.215426048
Cc1nc(C)c(CNc2cnn(-c3ccccc3)c2)s1,1.152013
Cc1ncsc1-c1cncc(CC2CCCN(C)C2)n1,1.504946355
CC1(C)CN(C(=O)c2cncc(Br)c2)CCO1,0.675686709
CON(C)C(=O)Cc1c(C)[nH]c2ccccc12,0.675686709
COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)c1,1.821592127
Cc1nnc2ccc(N3CCC4(CCCCC4)C3)nn12,1.521151165
Cc1sc2ncnc(OCC(=O)NC3CCCCC3)c2c1C,1.541304603
CC(C)(C)c1nc(Cn2nnc3ccccc3c2=O)no1,0.675686709
Cc1ccc(Cn2nc(C)c(C(N)=O)c2Cl)cc1,0.860397905
Cc1cc(N2CCCC2c2cc(CCC(=O)O)cc(C)n2)ncn1,0.675686709
Cc1nc(C2CCNCC2)cc(N(C)C)n1,0.675686709
C#C[C@@](C)(CC)NC(=O)c1cc(F)cnc1NC1CC(F)(F)C1,1.842771446
COc1nccnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1,2.259651208
COc1cc2nc(/C=C/c3cocn3)sc2cc1OC,1.056447458
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1,0.954290762
Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1,1.301767669
Cc1noc(OCC(=O)N2CCCCCC2)n1,0.675686709
CCCCNC(=O)c1cccc2ncccc12,0.675686709
CCOC(=O)c1c(C)n(C)c2ccc(O)cc12,1.488353265
c1ccc(-c2nccc(NCc3nnc4n3CCCCC4)n2)cc1,1.896845758
CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2,1.380102655
NCCCc1nc(-c2ccncc2)cs1,1.466763852
CC(=O)NCc1cc2n(n1)CCN(C1Cc3ccccc3C1)C2,0.675686709
N=C(N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1,0.675686709
NCCOc1cccc(CC(=O)N2CCCN(C(=O)C3CCC3)CC2)c1,0.675686709
CN(C)S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1,1.332761536
CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCCCC1,1.709074824
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,1.694429691
CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1,2.202093076
CN(Cc1nnc(C2CC2)n1C)C(=O)C1C2CC3CC(C2)CC1C3,1.679164333
COc1ccccc1NC(=O)CN1CCCN(c2nc(C)cs2)CC1,2.554656304
Cc1ncc(C(=O)Nc2ncnc3oc(C)c(C)c23)s1,1.420137355
Fc1ccc(CCNc2ncnc3ncccc23)cc1,1.124634624
CCCn1cc(CNC(=O)CN2CCCC2)cn1,0.675686709
CCCc1cc(CNS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)on1,2.593232885
Cn1ccnc1CN1CCN(Cc2ccc(F)cc2C#N)CC1,0.675686709
COc1ccc2nc(NCc3cnn(C)c3)ccc2c1,1.454600977
Cc1nccc(NC(=O)c2ccncc2Cl)c1Cl,1.327318058
CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnn(C)c2)CC1,2.666523596
COCC(C)(C)CNC(=O)C1(Cn2cccn2)CC1,1.112403893
O=c1[nH]c2ccccc2n1C1CCN(Cc2nnsc2Cl)CC1,1.841709768
C#Cc1cccc(N(CCC(=O)NC(N)=O)Cc2cccs2)c1,1.710633471
Cc1cc(C(F)(F)F)nc(CCNC(=O)N(C)Cc2c(C)noc2C)n1,2.235629434
N#Cc1ccc(CNc2cnc3ccccc3c2)o1,2.270690479
Cn1ccnc1-c1noc(NCc2ccccc2)n1,0.702775078
Cc1nn(C)c(C)c1C(=O)NCc1ccccc1,0.675686709
CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)NS(=O)(=O)c3ccccc3)cc1)C2,0.675686709
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCCNS(C)(=O)=O)[C@@H]1O,1.466823151
Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)nc1,2.272252482
CC(C)N(C)S(=O)(=O)N1CCC(CNC(=O)CCCn2cccn2)CC1,1.212400703
CCc1cnc(CN2C(=O)NC3(CCC3)C2=O)o1,0.675686709
O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,0.675686709
COc1ccccc1/C=C/CN1C[C@H]2CCCN2C[C@@H]1C,1.226161523
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,1.553276046
CCc1cc2c(Nc3cnn(CC)c3)ncnc2s1,1.609871757
NCc1ccc(-n2cnc3ccccc32)cc1Cl,1.11330815
Cc1ccc2cccc(OCC(=O)N(C)c3ccccc3)c2n1,2.099366372
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,0.950316164
Cc1ccc(-c2cnn3c(O)cc(Cn4cccn4)nc23)cc1,1.262759495
CN(CCc1ccccc1)C(=O)CC#N,0.675686709
Cc1ccn(CCC(=O)N2CCc3nc4sccc4c(=O)n3CC2)n1,1.230244499
COc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1,0.675686709
Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1,0.675686709
CCS(=O)(=O)CC(=O)Nc1cc(C)ccc1C,0.675686709
COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CNCC[C@H]3O[C@@H]21,0.675686709
CC(C)Cn1cnc2c1c(=O)[nH]c(=O)n2CC(C)C,0.675686709
Cn1ccc2c(NC(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)cccc21,1.620677284
C/C(=C/COc1c2occc2cc2ccc(=O)oc12)CO,1.261286665
O=C1CN(c2ccc(Nc3nccc(C(F)(F)F)n3)cn2)CCN1,0.675686709
Cc1noc2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,1.953648568
CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(-c4cnco4)c3)cc2CC1C,1.830165073
CC1(C)CN(CC(=O)NCC#N)c2cccc(Cl)c21,1.327174959
Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c(-c2cccnc2)n1,1.558300478
Cc1noc(-c2ccccc2C(=O)O)n1,0.675686709
Cc1c(F)cccc1NC(=O)CN1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12,2.426639741
CNC(=O)Cc1cccc(OCCN2CCCCC2)c1,0.675686709
Cn1ncc2c(Oc3cccc(C(C)(C)C)c3)ncnc21,1.564121376
Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1,0.675686709
C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,1.364794807
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1,0.979548375
O=C(NCCc1ccc(O)c(O)c1)Nc1ccccn1,0.675686709
Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1,0.675686709
CN(Cc1nc(N)c2ccccc2n1)Cc1ccc(F)cc1F,1.732417887
CN(CCSc1ccc2nnc(C(F)F)n2n1)Cc1ccccc1,2.39006211
CCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1,1.504076488
CCn1c(SC)nnc1C1CCN(C)CC1,0.675686709
Cc1nnc(CN(C)Cc2cnn(C)c2C)s1,0.675686709
Cc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1,0.675686709
C#Cc1cccc(N(CC(=O)NC(N)=O)Cc2cccs2)c1,1.585990584
c1csc(Cc2nc(-c3cnccn3)no2)c1,1.031812271
CN(Cc1cccc(C#N)c1)Cc1cnn(C)c1,0.675686709
O=S(=O)(c1cccnc1)N1CCC2(Cc3ccccc3C2)C1,1.960090068
Cc1ccc2nc3c(c(C(=O)NCc4cnn(C)c4)c2c1)CCCC3,1.567155811
Cc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cccnc4)o3)C2)cc1,1.619958968
N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)c1,2.598019689
Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1,0.675686709
Cc1cc2c(=O)n3c(nc2s1)CCNCC3,0.675686709
CCc1nc2ccc(C(=O)NCc3ccccc3)cc2nc1CC,2.005386453
Cc1cc(CSCc2ccc(C#N)cc2)no1,1.88295691
COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)cc1,2.258919698
Cc1ccnc(NC(=O)c2ccnc(C)n2)c1,2.136247975
CN(C)c1ccc2c(c1)OCCN2C(=O)NCc1cccnc1,1.372838388
Cc1ccc(Nc2ccnc(Nc3ccc(C)cc3)n2)cc1,1.930658726
CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,1.868620931
CC(C)Oc1ccc(C#N)cc1NC1CCN(C)CC1,0.675686709
Cn1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)ccc1=O,0.675686709
COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)CC2,2.024419985
O=C(CSC1CCCC1)N1CCC(n2ccnn2)CC1,1.121231455
COc1ccccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1,1.780252487
CN(C)C(=O)c1cncc(N(C)CCN(C)C2CCCC2)n1,0.813180533
O=C(CN1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,1.711284074
COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1,2.304921162
CCOc1ccnc(NCCCc2nc3cc(F)ccc3[nH]2)n1,2.374271643
C=C(C)COc1cccc(C(=O)NCc2nncn2C2CCCCC2)c1,2.199618068
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F,0.675686709
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,2.572145236
COCc1nc(-c2cc(F)ccc2F)c(C)s1,2.124037727
CCCc1ccc(-c2cccc(C(=O)N3CCN(CC(N)=O)CC3)c2)cc1,1.09961159
Cc1ccc(C#N)c(NC(=O)CCc2ccccc2)n1,1.046690221
C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)CCc1ccccc1,2.345463913
O=C(CCC1CCOCC1)Nc1ccc(C(=O)O)cc1,0.675686709
COc1ccncc1NCc1cscn1,0.675686709
O=C(NCc1nncn1-c1ccccc1)C1CCCC1,0.675686709
O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1,1.14245204
Clc1cnc(Oc2ccc3cn[nH]c3c2)nc1,1.111564935
Cc1ccc(-n2cc[nH]c(=O)c2=O)cc1,0.675686709
CC(=O)NC1(C(=O)N2CCCN(c3cccnn3)CC2)CCCCC1,0.888123307
CNc1cc(C)nc(-c2ccnc3c2ccn3C)n1,1.932843975
COc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)cc1,0.675686709
COc1ccc(-c2nc(CN3CCC[C@H](O)C3)no2)cc1,1.060055365
Cc1cc(Br)ccc1CN(C)C(=O)CO,0.675686709
CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1,1.265030198
CC1(C)CCN(C(=O)NCCOc2cccnc2)C1,0.675686709
CCc1cc(-c2ccc(OC)c3ncccc23)nc(N2CCOCC2)n1,1.455864635
Cc1ncsc1CCN1C(=O)NC2(CCCC2)C1=O,0.675686709
Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,0.675686709
Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCC3)CC[C@@H]2O)c1,2.219133758
COc1nc2c(cc1CNC(=O)N1CC[C@@H](O)C1)C(=O)N(C1CCCC1)C2,0.675686709
COc1cccc(OCCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1,1.584059705
O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCc1ncc[nH]1,1.706700717
Cc1cnc(-n2cnnc2)c(-c2cccc(Cl)c2Cl)c1,0.838786145
O=C(c1ccncc1)N1CCC(c2cnccn2)CC1,0.675686709
CN(CCO)C(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1,0.675686709
Cc1nc2cc(C(=O)NC34CCCC3NCC4)ccc2c(=O)[nH]1,0.675686709
Cc1cc(NC(=O)CCc2cnn(C)c2)c2ccccc2n1,0.675686709
CC(=O)NC1CCC(NCCc2c(C)cccc2C)CC1,0.675686709
Cc1nc(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n[nH]1,0.778006461
CC1CCC(N(Cc2nnc(C3CCC3)o2)C2CCC(O)CC2)CC1,2.362331652
Cc1ccn(-c2ccc3[nH]c4c(c3c2)CCCC4=O)n1,2.136095621
CC(=O)n1c(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc2ccccc21,2.035437744
O=C(NCc1ccc(-n2cncn2)nc1)c1csc2c1CCCC2,1.344411925
CC(C)CN(c1ncnc2c1cnn2C)C1CC1,1.703334375
O=C(c1n[nH]c2c1COCC2)N1CCC2(C=Cc3ccccc32)CC1,0.685831275
Cc1noc(NCc2cccc(-c3cccnc3)c2)n1,1.311690301
CSc1ncccc1C(=O)Nc1ccc(N2CCCCC2=O)cc1,0.675686709
Cc1nc(N2CCn3ccnc3C2)c2cnn(C)c2n1,1.021023822
COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1,1.625168348
O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)cn1,1.335197045
CN1CCC(n2ncc3[nH]c(-c4ccc5ccccc5c4)nc32)CC1,1.36890023
CCOc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1,2.626439946
O=S(=O)(Cc1csc(C2CCCC2)n1)C1CCCC1,1.967187475
O=C(NCCCNC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCCO2,1.284543523
O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1,1.15703345
Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)n1,1.986883651
CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1,2.347780667
CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1,1.881681314
Cc1nnc(-c2ccc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nn2)s1,1.158814647
CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC,1.449447542
COc1ccc2nc(C)nc(N3CC(O)(c4ccc(F)cc4)C3)c2c1,1.429832996
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1,2.118535869
Cc1ccc(=O)n(CCOc2ccc(Cl)c(F)c2)n1,1.852620263
CNc1ncc(CN(C)CCN2CCCCC2)cn1,0.823343791
Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1,1.706248252
Cc1ccc(C(=O)C2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)c(C)c1,1.808447305
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,1.83466862
CCCCN1CCN(C(=O)c2cccc(-c3ccc(CO)cc3)c2)CC1,1.425469006
O=C(c1noc2c1CCCC2)N1CCN(c2ncccn2)CC1,1.013805927
Cc1ccc(C(=O)NCC#Cc2ccccc2)cn1,0.675686709
NC(=O)Cn1ccc(-c2ccccc2)n1,0.675686709
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(C#N)c1,1.422031431
Cc1ccncc1-c1ccc(-c2ccn[nH]2)cc1,1.02201574
O=C(CCc1ccco1)Nc1ccccc1OC(F)F,2.063836054
CCOc1ccc(Nc2ncccc2C#N)cc1,1.99830294
Cc1ccc(OCN2CCCCC2=O)nc1,0.721398376
CC(C)(C)c1nc(O)c2nnn(C3CCNCC3)c2n1,0.675686709
O=C1NCCN(C(=O)c2ccc3nccn3c2)C1c1ccccc1C(F)(F)F,0.675686709
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,2.005819468
COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1C,1.740560051
Cc1ccccc1COC1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1,1.183298321
O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)Oc2ccccc21,1.336619813
Cc1cccc(OCCCNc2cc(Cn3c(C)nc4ccccc43)nc(N)n2)c1,2.728081755
Cc1nc(C2(NCc3cccc(C#N)c3)CCCC2)no1,1.122445256
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O,0.675686709
Fc1cccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,1.970039879
Cc1nc(NCc2scnc2C)n(C)n1,0.675686709
COc1ccc(CC(=O)Nc2ccc(F)nc2)cc1,1.217720768
Cc1ccc(Cn2nccc2NC(=O)c2ccncc2)o1,0.876160085
Cc1cc(C(F)(F)F)nc(N(C)Cc2c(C)noc2C)n1,1.9625398
O=C(Nc1ncccc1OC(F)F)C1CCCCC1,1.789355046
CC(C)CCNC(=O)c1ccc2ccccc2n1,2.226452968
CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O,2.042843173
O=C(NCc1cc(F)cc(F)c1)c1ccccn1,0.675686709
Cc1ccc(-c2nnc(SCCn3cccn3)[nH]2)cc1,1.986337222
c1ccc2nc(OC3CCNCC3)cnc2c1,0.675686709
O=C(CSCCc1ccccn1)Nc1ccccc1,1.624292412
CC(=O)N1CCC(C(=O)Nc2nccs2)(c2ccccc2)CC1,0.758230408
Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(CC4CC4)C[C@H]23)c1,2.743977516
Oc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1,1.526093625
COCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1,0.675686709
N#CN1CCC[C@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1,0.675686709
COc1cccc(-c2cccc(N)n2)c1F,1.924899264
O=C(c1ccc(Cl)cc1)N1CCC(c2nnc3n2CCCC3)CC1,0.675686709
Cc1cc(C)n2nc(C)c(C(=O)NCCc3nnc(C)s3)c2n1,0.675686709
CC(C)Oc1ccc(CCNC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)cc1,1.293958886
CC(=O)Nc1ccccc1CN1CCC(c2nnc3ccccn23)CC1,1.000390689
O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccn1,1.064719984
CCNC(=O)c1ccnc(-c2ccc(F)c(C)c2)c1,2.088564854
CC(C)OCCS(=O)(=O)N1CCc2ccccc2CC1,2.126686508
CN1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1,1.974396541
Cc1nn(C)c(C)c1CNc1ccc(N2CCN(C)CC2)nc1,0.675686709
COc1ccc(C)cc1NC(=O)CN1CCc2ccccc2C1,2.280145681
Cc1nc2n(c1CN1CCN(c3ncccn3)CC1)CCCC2,1.463370327
Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C,2.512695067
CCc1nc(N2CC(CO)C2)c2ccsc2n1,1.030963842
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1,2.555778619
CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O,1.654744316
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1,1.880424839
Cc1cc(NCC2(c3ccncc3)CC2)ncn1,0.675686709
CCN(CC)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,0.675686709
O=C(CCc1cn[nH]c1)NCCCn1cc(Cl)cn1,0.675686709
O=C(CCCCCCC(=O)Nc1ccccc1)NO,0.675686709
c1ccc(-c2ccc(CN3CCCCCCC3)cc2)cc1,1.596179092
Cc1ccc2nc3c(c(C(=O)NCc4nnc5n4CCC5)c2c1)CCCC3,0.675686709
COCC1(CNC(=O)c2cc(Cl)cnc2O)CCC1,1.212453961
Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1,1.226135722
OC1(Cc2nc(-c3ccsc3)no2)CCCCC1,1.312008008
Cc1cccc(NCCc2cn3c(n2)CCCC3)n1,0.675686709
Cc1cc(-c2cccc3ccnn23)nc(N2CCCC2)n1,2.087430008
Cc1cc(-c2nccs2)nc(CC2CCNCC2)n1,0.675686709
CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,1.329092647
CCOc1cccc(-c2cccc(N)n2)c1,2.374878432
Cc1ccc(=O)n(CCOc2cc(F)cc(Br)c2)n1,2.146531122
CN(C)c1ccc(-c2ccc(C(=O)NCCN3CCCC3=O)cc2)nn1,0.675686709
CCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1,1.281056105
Cc1cccn(Cc2cccc(F)c2)c1=O,0.675686709
COc1ccc(-c2ccc(CNc3ccc(CN4CCC(C)CC4)cc3)cc2)cc1,2.092731169
CSCC(=O)N1CCN(C(=O)CSC)C2(CCCCC2)C1,1.762205758
Cc1nc(CNC(=O)c2ccc(F)c(C)c2)no1,0.675686709
CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1,0.794069584
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,1.177074546
CC(=O)N(CC(N)=O)c1ccc(C)cc1,0.702516697
CC1CCC(O)(CSc2nnnn2C2CC2)CC1,1.105476121
COc1ccccc1-c1nn(-c2ccccc2)cc1CO,1.624261464
CCc1c(N)cnn1-c1ccccc1C,0.909235003
CC(=O)N1CCC(c2ccc(C(=O)O)cn2)CC1,0.675686709
Cc1nc(NCc2ccc(F)c(Cl)c2)n(C)n1,0.890253305
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2Cl)CC1,2.633232054
O=C(Cc1cccc2ccccc12)NCc1nnc2n1-c1ccccc1CC2,2.378554146
Cn1cc(CNc2ncccn2)c(C(C)(C)C)n1,0.675686709
O=C(CNc1cc(N2CCCC2=O)ccc1F)N1CCCCCC1,1.376704672
CCC1(O)CN(c2ncccc2C#N)C1,0.675686709
CC(C)(C)c1csc(NC(=O)C2CC2)n1,1.306167592
CN(c1ncc(Br)cn1)C1CCS(=O)CC1,0.675686709
CNC(=O)c1cc(C2CCN(C)CC2)ncn1,0.675686709
Brc1nnc(N2CCC(OC3CCCC3)CC2)s1,1.888409783
COc1cc(Nc2cc(-c3cccc(C#N)c3)ccn2)ccc1N1CCN(C)CC1,0.76930346
Cc1ccc2c(c1)cc(C(=O)N1CCOC(C(=O)N3CCc4ccccc4C3)C1)n2C,2.291806033
COc1cc(CCNC2CCC3(CC2)OCCO3)ccc1F,1.782716219
CC(C)(C(=O)NCc1ccccn1)c1ccccc1,0.675686709
N#CC1(C(=O)NCC2(C3CC3)CC2)CCCCC1,1.27567983
CN1C(=O)[C@H]2CN(CC3=CC[C@H]4C[C@@H]3C4(C)C)C[C@H]2C1=O,2.31529425
O=C(Nc1ccc2c3c(cccc13)CC2)c1ccnc(-n2cncn2)c1,2.092134408
CC(C)=CCOc1cccc(C(=O)NN2CCOCC2)c1,0.675686709
CCCc1nnc(NCc2cn3ccc(C)cc3n2)o1,0.675686709
Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1,0.675686709
CCc1nnc2n1CCN(C(=O)c1ccccc1Oc1cccnc1)C2,0.684037037
Cc1ccc2c(CC(=O)N(C)Cc3nnc4n3CCC4)coc2c1C,1.562138157
COCCc1nc(CCCn2cccn2)n(C2Cc3ccccc3C2)n1,1.399483352
O=C(O)c1ccccc1-n1cnc(CN2CCCC2)c1,0.675686709
N#Cc1ccc(-c2cccc(CN)c2)s1,2.550984956
Cc1cc(C)nc(N(C)CC(=O)NC2CC2)n1,0.675686709
Cn1cc(CN2CCCC(c3ccnc(Nc4cnccn4)c3)C2)cn1,0.888516461
COc1ccc(NC(=O)C(C)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,2.59262526
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)c2ccccc2-c2ccccc2)n1,1.488790358
CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1,0.675686709
COc1nc2c(cc1CNC(=O)N1CCC[C@@H]1CO)C(=O)N(C1CCCC1)C2,0.931762888
Cc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](O)[C@@H]1O,0.675686709
O=C(C(c1ccccc1)c1ccccc1)N1CCOCC(Cc2ccc3cnccc3c2)C1,2.60607381
CCc1cc(NCc2cccc(OCCOC)c2)ncn1,0.967641564
O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1,0.881384657
CSc1cnc(N2CCCN(c3ncc(SC)cn3)CC2)nc1,2.118813449
COCCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1,0.675686709
c1cc(-c2nnc(NCc3cncs3)o2)ccn1,0.675686709
CN(C)C1CN(c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)C1,1.966118257
O=C(Nc1cccc(-c2cnco2)c1)C1(c2cccc(F)c2)CCOCC1,1.818252294
CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1,1.630824356
CCN(CC)C(=O)CSCc1cncc(F)c1,1.493959675
Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccncc2)n1,1.826204424
Cc1ccc2oc([C@H]3CCN(Cc4cccs4)C3)nc2c1,2.102371953
CC(C)(C)n1ncc(C(=O)N2CCCn3ncnc32)c1C(F)(F)F,1.445012288
O=C(NCCc1csc(N2CCCC2)n1)N1CCSCC1,1.792013268
CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C(F)(F)F,1.02596091
CCc1c(C)nn(CCNC(=O)CCc2cnccn2)c1C,1.80988279
CSCC[C@@H](CO)n1ccnc1-c1oc2ccccc2c1C,2.22299984
COc1ccc(C)cc1S(=O)(=O)NCCC(=O)Nc1ccccc1C,1.96363202
c1ccc(NCc2ccc3c(c2)OCCCO3)nc1,1.823089323
CN(Cc1c(F)cccc1Cl)C(=O)C1(C#N)CCCC1,2.045835222
CCc1ccc(CC)c(C(=O)CSc2nncs2)c1,2.341284128
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1,2.43432774
O=C(Cn1cc(NCc2cccc(Cl)c2)cn1)N1CCOCC1,0.770999205
Cc1ccccc1S(=O)(=O)Nc1c(C)ccnc1Cl,0.675686709
Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1,1.163936209
CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1,0.675686709
Cc1nccc(-c2cccc(NCC(=O)NCc3ccccc3)c2)n1,1.79805645
O=c1c2cccnc2ncn1Cc1ccc2c(c1)CCCC2,1.411888952
CNc1nc(-c2cc(OC)cc(OC)c2)ncc1F,1.568975721
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,1.074597045
Cc1ccc(CN(C)Cc2c(C)noc2C)o1,1.441396603
CCOCCC(=O)N1CCC2(CCCN(C)CC2)CC1,0.675686709
c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5[nH]ncc5C4)c23)c1,2.747507358
COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1,0.675686709
O=C(Nc1ccn(CC(F)F)n1)NC1CCN(C2CCCC2)CC1,0.675686709
CN(C)C1(CNC(=O)N2CCCC(C)(C)CC2)CCOCC1,0.92556991
CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)COc2ccccc2)CC1,2.011138895
C#CCOc1ccc(C(=O)NN2CCCC2=O)cc1,0.675686709
CN(NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1,1.915637234
N#CCCn1ncnc1-c1cccc(C#N)c1,0.675686709
Cc1cccc(NC(=O)c2cccnc2N2CCCCC2)n1,2.077709392
CC1CC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,0.675686709
CCCN(C(=O)c1c(CC)noc1C)C1Cc2ccccc2C1,2.259849412
O=C(C1CCC(O)CC1)N1CCCN(c2ccc(F)cc2)CC1,1.076312688
CN(Cc1cccc(C#N)c1)c1cnc2ccccc2n1,1.876950671
CCN(Cc1nc(C)no1)C(=O)c1cc(C)c(C)n(C)c1=O,0.675686709
Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCCC1,0.675686709
CN(CC1(CO)CCC1)C(=O)CCN1CCCCC1=O,0.675686709
CCc1csc(NC(=O)c2ccc3c(c2)nc(C)n3C)n1,1.530212509
CCC(C)(C)c1ccc(Oc2ccc(NC3=NN(c4ccccc4)C(=O)C3)cc2)cc1,0.881384657
CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1,2.778966957
CN(C)[C@@H]1CN(C(=O)c2cc3ccc(F)cc3[nH]2)C[C@H]1O,0.675686709
O=S(=O)(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1,1.322880573
CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21,1.84221595
CN(C)C(=O)Cn1cc(C(=O)O)ccc1=O,0.675686709
O=C(c1ccccc1N1CCOCC1)N(Cc1ccccn1)C1CCCCC1,2.995822033
CNC(=O)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1,0.675686709
CCc1cnc(CCNc2cncc(Cl)n2)s1,2.263505879
COc1ccc2cc(-c3[nH]c(-c4ccc(S(C)=O)cc4)nc3-c3ccncc3)ccc2c1,0.695569227
Nc1ccccc1OCCn1ccnc1,0.849235091
C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cccnc2)CC1,1.884631128
c1ccn2cc(CSc3ccc(-n4cccn4)nn3)nc2c1,1.269723036
Cc1cccc2cc(C(=O)NCCSc3nccn3C)n(C)c12,2.255783707
Cc1cccc(-n2c(S)nnc2CNc2ccc(F)cc2)c1,1.235149536
COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C,2.339254623
CNc1ncnc2c1ncn2[C@H]1CC[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)[C@H](O)[C@H]1O,0.705692697
Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1,2.115533963
Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,1.380428335
COc1ncccc1NC(=O)c1cccc(C)n1,2.175897231
COc1cccc(NC(=O)C2CNC2)c1,0.675686709
CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)C3CC3)CC2)n1,1.064532861
COC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1,0.675686709
CSc1nccc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1,2.149625496
CCCNC(=O)c1c(C)nn(-c2ccccc2)c1C,1.115876664
Cc1sc(NC(=O)CN2CCOC(C3CCCO3)C2)c(C)c1C,1.10561236
Cc1cc(C(=O)NCC2CC2)n2nccc2n1,1.409611931
Cc1cc(C(=O)N2CCOC(C)(C)C2)cc(C)c1OCc1cccnc1,2.430729553
CCn1nccc1-c1cc(C)nc(N2CCCC2)n1,2.059608852
Cc1nccc(N(C)Cc2nc(-c3cccnc3)no2)n1,0.935255282
CCCc1nnc2sc(-c3cc(C(C)C)nn3C)nn12,1.49497508
O=S(=O)(NC[C@H]1CCCN1)c1ccc(OC(F)F)cc1,0.675686709
c1cnc(NCc2cnc3ccsc3c2)nc1,1.096249383
COc1cccc(C(=O)NCC(=O)Nc2cccc3c2CCCC3)c1,1.762566038
Cc1nc(-c2ccc(C)c(O)c2)n(C(C)(C)C)n1,0.675686709
CC(C)c1noc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1,0.928703027
Cn1cnnc1NC(=O)c1cnn2c1CCCC2,0.675686709
CS(=O)(=O)NCc1cc2n(n1)CCN(C1Cc3ccccc3C1)C2,0.675686709
CCc1cccc(C)c1NC(=O)c1ccc(C)o1,0.675686709
Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)O,0.675686709
NC[C@H]1CC[C@@H](C(=O)Nc2ccc3[nH]ncc3c2)O1,1.247555947
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0.881384657
Cn1c(C(=O)N2CCN(CCc3ccccc3)C(=O)C2)cc(=O)n(C)c1=O,0.675686709
O=C(CN1CCCC(c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1,2.126232092
O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1,2.408387533
CS(=O)(=O)NC1CCCN(c2nc3ccccc3o2)C1,0.675686709
O=C(NCCc1ccc2c(c1)OCO2)N1CCc2sccc2C1,2.214290034
O=C1NCCCCC1NC(=O)N1CCc2sccc2C1,0.685204134
COc1ncc(-c2cccc(N(C)C)c2)c(OC)n1,2.284667557
Cc1ccc(-c2cnc3ccccc3n2)cc1N,2.408026158
O=C(CSC1CCCC1)N1CCC(Cn2cccn2)CC1,1.872517549
CC(=O)N[C@H]1CC2(CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)OC[C@]1(C)O,1.387425423
CN(C)c1cccc(C2CCN(c3ncccn3)CC2)n1,1.975017998
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1,1.235275877
CN(Cc1ccccn1)c1nc2ccccc2o1,1.176236
COCCOCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1,1.137512353
O=C(O)c1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1,0.675686709
COc1ncnc2c1CN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2,1.849271962
CCc1nnc(Sc2nc3cc(C)nn3c3ccccc23)[nH]1,1.136530324
O=C(NC1CCCCCC1)c1ccc(-c2cnco2)cc1,1.173739714
CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl,1.820700513
Cc1ccc(OCCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1,2.088741906
Cc1ccc2occ(CN3C[C@H]4CCCN4C[C@H]3C)c(=O)c2c1,1.379686152
Cc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)c(O)cn1,0.675686709
COc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1,1.52748812
CCCCOc1ccc(C(=O)NCc2cc(C)on2)cc1,1.071550639
CN1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1,0.932930143
Cc1ccccc1C(=O)Nc1nc(C)c(C)s1,1.954449956
CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1,1.394609259
CC1=CCN(C(=O)c2cc(C)nc3cc(C)cc(C)c23)CC1,1.990023455
O=C(CSC1CCCC1)NCCn1nc2c(cc1=O)CCCC2,1.851105401
Cc1cc2cc(C(=O)N(C)CCC(=O)O)oc2cc1C,0.675686709
CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)CC1,0.675686709
CC(C)N1CCN(CCCSc2ccccn2)CC1,2.10818942
c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3nc[nH]c3c2)n1,1.178026788
CCCn1cc(NC(=O)Nc2ccc(N3CCSCC3)cc2)cn1,1.647431874
O=C(O)CCn1c2ccccc2c2ccccc21,0.675686709
O=C(NC1CCNCC1)c1ccc2cn[nH]c2c1,1.206637011
c1ccc(Nc2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1,0.675686709
CCCC(=O)Nc1ccc(C(=O)N(C)C)cc1,1.346313847
O=C(CN1CCCC(c2ccc3cn[nH]c3n2)C1)N1CCCC1,0.960280464
CCN(Cc1ccccc1)C(=O)c1ccc(O)cc1O,0.675686709
COc1cc(OC)c(OC)cc1CNC(C)(C)C,0.675686709
CCc1ccccc1-c1cn(CCc2cnccn2)nn1,1.393329472
COc1ccccc1C(=O)CSc1nncn1C1CC1,1.390846827
Cc1cc(C)nc(CNC(=O)CC2CCNCC2)n1,0.675686709
COc1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC(C)C,1.825101412
N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F,2.089389301
CCS(=O)(=O)N(C)c1ccc(N(C)C)cc1,0.675686709
Cc1ncsc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,1.562506984
CNC(=O)CC1CCN(c2ncccn2)CC1,0.675686709
O=C(Cc1n[nH]c2ccccc12)N1CCCO1,0.675686709
CN(CC1CCCC1)C(=O)Nc1ccccc1N1CCOC1=O,1.652110905
Cc1cc(NC(=O)CN(C)CCOc2ccccc2)on1,2.220748592
Cc1cc(C)c(C#N)c(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1,2.096037073
O=C(NCc1ccc(F)cc1)c1ccccn1,0.675686709
COCc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1,2.006217803
CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1,0.675686709
CN(C)CC(C)(C)CNc1cn[nH]c(=O)c1Br,0.931254406
CCCc1ccc(C(=O)CSc2nncs2)cc1,2.441157629
CCNC(=O)c1ccc(-c2cc(C)cc(OC)c2OC)nc1,0.675686709
COc1ccc(CN2CCC(c3cc[nH]n3)CC2)cn1,0.675686709
O=c1c2ccccc2nnn1CCOc1ccc(F)cc1,1.416840137
Cc1n[nH]c(-c2c(C)c3cc(F)ccc3n2C)n1,1.945350394
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)/C=C/C=C/c3ccc(C(F)(F)F)cc3)ccc2N1C,2.696159732
COc1cccc(CN2CCc3nc(-c4cnc(C)cn4)nc(O)c3C2)c1,0.675686709
Cc1ccnc(C2CCN(C3CCCC3)CC2)n1,0.675686709
Cc1ccnc(Oc2cc(N)ccc2C)c1,0.675686709
O=C(NC1CC1)c1cccnc1Oc1ccccc1,0.675686709
Cc1ccc(C(=O)N(C)Cc2c(C)noc2C)cn1,0.675686709
CCN1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1,1.064570292
COc1ccc(C)cc1-n1ccc(C(=O)NC(C)C)n1,1.796192597
CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12,0.675686709
CCc1cnccc1C(=O)Nc1cnccn1,0.675686709
Cc1ccnc(NCc2cccnc2)n1,0.675686709
CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1,0.675686709
Cc1cnc(-c2nc(NCc3cccnc3)ncc2-c2cc(C)no2)cn1,1.232335277
O=C1N[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1,0.675686709
COc1ccc(F)c(CN2CCC(Cc3noc(C)n3)CC2)c1,1.304576689
O=C1CCCc2c1[nH]c1cc(-n3ccnc3-c3ccncc3)ccc21,1.426576319
c1ccc(-c2ncc(CNc3ncccn3)s2)nc1,1.607111741
Cc1ccccc1OCCn1c(N)nc2ccccc21,1.280305143
Cc1noc(C)c1CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1,2.220850463
CC1(C)COCCN1Cc1cnn(-c2ccccc2)n1,1.028652574
CCN(CC)C(=O)N1CCCN(C(=O)N(CC)CC)CC1,1.835956773
Nc1nc(N)c2c(Cl)c(Br)ccc2n1,0.866582677
Cn1cc(CN2CCc3nc4ccccc4c(=O)n3CC2)cn1,0.675686709
Cc1cc(C)nc(NCc2cnc(C)c(C)c2)n1,1.09805504
Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccccc2)CC1,0.786751422
Cc1nc(N(C)C)nc(C)c1NC(=O)C1CCCCC1,0.796088429
Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nnc(C)o2)cc1,2.174365132
CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1,1.298743943
O=C(NCC1CCC2(CC1)OCCO2)c1[nH]nc2c1CCCC2,0.837651558
Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@H](NS(=O)(=O)CC(C)C)[C@H]3c3ccc(Cl)cc3)ccc12,2.567713162
O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1,0.675686709
CN1CCN(C(=O)C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCC2)CC1,0.675686709
O=C(Cc1ccc(F)cc1)NCCn1cccnc1=O,0.675686709
NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)CC1,2.261786087
CCn1ncnc1-c1[nH]cnc1-c1ccccc1,0.675686709
CCN1C(=O)CC[C@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@H]1c1ccncc1,2.266933388
Fc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1,1.785557602
O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1,2.354724853
Cc1nc2ccccn2c1CC(=O)NCCCSc1ccccc1,1.891241881
Cc1cc(C)cc(OCCN(C)C(=O)NCCS(=O)(=O)N(C)C)c1,1.572464987
O=C(Cn1ncc2ccccc21)Nc1ccc2c(c1)CCO2,1.136815658
COc1ccc(-c2ccc(CN(CCN3CCOCC3)Cc3cccnc3)cc2)cc1,2.649960532
CCc1ncnc(N(C)Cc2ccc(N)nc2)c1F,0.675686709
O=C(NC1CCCC1)C(=O)c1ccc2c(c1)CCC2,2.212131649
CCN(CC)Cc1cnc(NC(=O)c2ccccc2)s1,0.675686709
Cc1cc(N(C)CC(C)(C)O)ncc1Br,1.556953454
Fc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1,1.008344629
COc1ccnc(N2CCCN(Cc3ccccc3C)CC2)n1,2.878485603
Cc1ncccc1CNc1nnc(C(C)(C)C)s1,0.675686709
Cc1cc(NC(=O)C2CCN(c3ccncc3Cl)CC2)no1,1.104657791
COc1ccnc(N2CC(O)(C3CC3)C2)n1,0.675686709
CCN1CCN(c2ccc(Nc3ncnc4sccc34)cc2)CC1,0.675686709
CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,2.004110625
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C,2.56071162
Cc1ccc(C(=O)N2CCC(Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)CC2)s1,2.885344821
Clc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cn1,1.611500263
CCc1cc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)on1,1.951230632
COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1,1.880035738
Cc1ccc(-c2ccnc(O)c2C#N)cc1,0.675686709
O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2ncsc2c1,1.182072104
C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1,0.675686709
CNCc1cc(N(C)C)nc(C2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1,1.704502273
CN(CCSc1ccc2nnnn2n1)Cc1ccccc1,1.810575247
OCc1cnnn1-c1cncc(Cl)n1,0.675686709
Cc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)cs2)o1,2.271330371
Cc1cccc(NC(=O)c2noc3c2CCCC3)n1,2.293786696
O=C(CCN1C(=O)CCC1=O)Nc1cccc2ncccc12,0.675686709
CC(C)(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21,0.675686709
CO[C@@H]1CC[C@@H](N(C)C(=O)COc2c(C)cccc2C)[C@H]1O,1.083395108
CN(CC(N)=O)Cc1cc2c(cc1Br)OCO2,1.016991578
COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2ncccc2Cl)CC1,2.088671093
Cc1csc(Nc2ccc(C#N)cc2)n1,2.303548104
Fc1cccc(CCNCc2cc(-c3ccccc3)cn3nnnc23)c1,2.27956657
CCc1nc(CC)n(Cc2nc(C)cs2)n1,0.675686709
CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1,2.032792967
Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1,1.206960729
O=C(Nc1ccccn1)c1cccc2ccccc12,2.118876211
c1ccc(-c2noc(Cn3ccnc3)n2)nc1,0.675686709
NC(=O)c1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,2.098650647
Cc1ccc2c(CC(=O)NCc3cccs3)coc2c1,2.086156875
Cc1nccc(-c2cccc(NCC(=O)NCC(=O)N3CCCC3)c2)n1,0.675686709
N#CCn1ncnc1-c1cccc(C#N)c1,0.675686709
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,0.927195258
Cc1nnc(NCc2cccnc2)c2ccccc12,0.717171027
CN(C)C(=O)OCCN1CCC(c2c[nH]c3ncccc23)CC1,1.471511737
COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1,1.580411726
O=C(NCCNc1ncccc1C(F)(F)F)c1cnc2ccccn2c1=O,1.444372736
CC(C)CC(=O)NCC(=O)N1CCCC1,0.675686709
COc1ccc(C)cc1-c1cccnc1O,0.729893404
CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.558852512
O=c1c2ccncc2ncn1[C@H]1CCN(Cc2ccccc2)C1,1.353800865
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CC(=O)N(C)C)cc1,3.021840253
O=C(Nc1cccc2cnccc12)c1cccc(F)c1,1.543235884
O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)CCC2,0.675686709
CO[C@H]1COCCN(C(=O)c2cccnc2)C1,0.675686709
COc1cccc(CN2CCc3nc(-c4cnccn4)nc(O)c3C2)c1,0.675686709
N#CC1(CN2CCc3cc(-c4ccccc4)oc3C2)CC1,1.861456745
CCN(CC)C(=O)c1ccc(NC(C)=O)cc1,0.675686709
N=C(N)N/N=C/c1c(Cl)cccc1Cl,0.675686709
N#CCN1CCCN(Cc2ccc(C#N)cc2)CC1,1.81624793
Cc1sc2ncn(Cc3c(F)cccc3Cl)c(=O)c2c1C,1.902948818
Cn1ncc2c(NOCc3ccccc3)ncnc21,1.181872159
COCC(=O)Nc1nc(C)c(C)s1,1.277288245
O=C(NCCc1ccccc1)c1cnccn1,1.129174103
Cc1ncc(CN2CCC(Nc3ccc4nnnn4n3)C(C)C2)s1,1.208387604
O=C(Nc1c(F)cccc1Oc1ccccc1)c1cnccn1,1.539402325
O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1ncc(Cl)cn1,0.675686709
Cc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1,1.43025248
CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,0.788168371
COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2cnc(C)o2)CC1,1.256332818
CN(C(=O)c1cc(N2CCNC2=O)ccc1F)C1CCC(N)CC1,0.675686709
C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1,2.018920918
O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCC1,1.545059585
Cc1noc(C2CCN(CCc3ccccc3)CC2)n1,1.255730685
COc1ccc(OC)c(C(=O)/C=C/c2ccccc2)c1,2.212595064
O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCO4,0.71432976
Cc1cnn(C2CN(CC3(O)CCCCC3)C2)c1,1.738312727
Cn1ccnc1CCNC(=O)c1cccc2cccnc12,1.058843415
N#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1,0.675686709
Cc1cc(CNC(=O)N(C)Cc2c(C)nn(C)c2C)cnc1C,0.675686709
Cc1nc(N2CCc3c(ncn3C)C2)c2c(C)c(C)sc2n1,1.974221452
N#Cc1c(Cl)nc(N)n1-c1ccccc1,1.069853021
COCc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccc1OC,1.847788519
Cc1nn(C)c2sc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc12,0.675686709
CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12,1.543596268
Cc1cc(OCC(=O)N(C)C2CCCCCCC2)no1,1.752923841
Cn1ccc(CN2C(=O)c3ccccc3C2=O)cc1=O,0.675686709
N#Cc1ccc(CCC(=O)Nc2ccncc2)cc1,0.675686709
O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1nccs1,1.867673685
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2,0.675686709
CC(C)n1cnnc1-c1cccc(N2Cc3ccc(Br)cc3C2=O)n1,0.778946728
Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1,0.675686709
CC(C)CC(=O)Nc1cccnc1N(C)C,0.675686709
Clc1cc2ncc(-n3ccnc3)nc2cc1Cl,1.226032503
Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCCc3ccc(F)c(C)c3)CC2)n1,2.983717827
CC(C)CCN1CCC(CNS(C)(=O)=O)CC1,0.675686709
CCC(CC)NC(=O)c1cc(C)nc2onc(C)c12,0.675686709
COCCc1nsc(Oc2ccc(C)cc2Br)n1,2.170475875
CONC(=O)c1cn(-c2ccc(Br)cc2)cn1,0.675686709
CCC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,1.122903649
O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,0.675686709
Cc1cc(-c2cnn(CCNC(=O)c3sc(C)nc3C)c2C2CC2)on1,1.376923524
N#Cc1ccc2nc(NCCn3ccnc3)ccc2c1,0.803457116
N#Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cc1F,0.675686709
CN1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1,0.675686709
N#CC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCCC1,1.030680664
CN(Cc1cnccn1)Cc1nc(N)c2ccccc2n1,1.1766121
CN(Cc1cccnc1)Cc1ccc(C#N)o1,0.990116766
O=C(NCC1CC1)c1cncn1-c1ccc(F)cc1,0.675686709
COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)C2,1.47424541
O=C1CN(C(=O)c2ccc(F)cc2)CCN1,0.675686709
Cc1ccc(OCC2(O)CCN(CC3(O)CCN(c4ccccc4C)CC3)CC2)cc1,2.602153355
CCN(C(=O)c1cccc(-n2cccn2)c1)c1ccc(C#N)c(Cl)c1,1.897385138
O=C(CCCc1cc(Cl)sc1Cl)N1CCC(O)CC1,1.718983049
Cc1cc(C)cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1,1.049992857
C[C@@H](C(=O)N1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,0.675686709
O=C(CSCCCn1c(=O)[nH]c2ccccc21)N1CCCCC1,1.834535144
COc1cccc(C)c1C(=O)N(C)Cc1ncc[nH]1,0.675686709
NC1CCCC(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1,0.675686709
CC(C)CNc1nnc(SCc2ccncc2)s1,1.490239485
c1ccc(OCCN2CCN(c3ncccn3)CC2)cc1,2.101265785
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O,2.208962412
COc1ccc(-c2ccc(Cn3nc(C)cc3C)cn2)cc1,1.374455052
Oc1ccc(-c2noc(-c3cccnc3)n2)cc1,1.399206301
CCC(=O)NCc1ccnc(N(C)C)c1,0.675686709
Cc1cc(C(=O)N(C)Cc2ccccc2C)[nH]n1,0.675686709
COCC(=O)Nc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1,1.563836919
C/C=C/CC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1,1.715736003
CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O,0.7930916
COc1ccc(Cc2ncnn2-c2ccc3c(c2)OCO3)c(OC)c1,2.118307723
COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n(C)c2N)c1,0.675686709
CC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1,1.332458659
CC(C)(C)c1cc(NS(=O)(=O)c2cccc(F)c2)cc(C(C)(C)C)c1,1.000859761
O=C(Nc1ccc(N2CCOCC2)nc1)N1CCc2sccc2C1,0.942603249
CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1,0.877428941
Cn1ncc2cc(-c3ccnc4[nH]ccc34)ccc21,2.068119042
CCONC(=O)c1sc(C)nc1C,0.675686709
Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1,1.243236538
CN(C)C1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1,1.542177858
Cc1nccc(-c2cccc(NCC(=O)N3CCCCCCC3)c2)n1,2.479295959
Cc1cccc(NC(=O)c2ccccc2-c2ccccc2)n1,1.807203431
O=C(NCc1ccc(CO)c(F)c1)Nc1ccccc1,0.675686709
CCc1nc2ccccc2n1CC(=O)Nc1ncc(C)s1,0.931152639
Clc1ccc(-c2ccc(CNCC3CCCO3)o2)c(Cl)c1,1.743149009
COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCN3CCOCC3)c2cc1OC,0.939443869
Cc1nccc(C2(C)CCN(CC(N)=O)CC2)n1,0.675686709
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C(=O)C3)c12,0.888235673
Cc1cc(C)c(-n2cccn2)c(-c2cn(C[C@@H]3CCCO3)nn2)c1,1.832221417
CC(=O)Nc1cnn(CC2CCN(C)CC2)c1,0.675686709
Cc1nc(C#N)c(C#N)n1Cc1csc(-c2cccs2)n1,1.94826622
CC(C)(C)N1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1,0.675686709
O=c1n(CCc2ccncc2)nnn1-c1ccccc1,0.763802224
CC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C,0.675686709
Cn1ccc2c(C(=O)Nc3ncn(Cc4cccnc4)n3)cccc21,0.675686709
Nc1ccnc2ccc(Oc3ccccc3)cc12,1.129722109
Nc1ccccc1-c1nc(C2CC2)no1,2.507337646
CN(CCOc1ccccc1)CC(=O)NCCc1ccccc1,2.426867334
O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccnc2[nH]cnc12,0.888010912
Cc1ccc(C(=O)Nc2ncccc2C)s1,0.827563111
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,1.532397627
CSCCc1nc(-c2cc(C)nc3cc(F)ccc23)n(CCO)n1,1.229015943
Cc1ccc(-c2ccccc2-c2nc3c(cnn3C3CCN(C)CC3)[nH]2)o1,0.675686709
C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,1.761739954
CNC(=O)CN1CCCN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)CC1,0.675686709
CC(C)(C)c1cc(NC(=O)c2cccc3cn[nH]c23)[nH]n1,0.993259831
COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C,1.7648722
CN(C)[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1O,0.675686709
Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)n1,1.4954472
COCC1(CNS(=O)(=O)c2ccccc2)CCC1,1.486472985
Cc1cccc2ncn(CCc3ncc[nH]3)c(=O)c12,0.675686709
COc1ccccc1-c1cc(NC(=O)c2cccc(N3CCNC3=O)c2)[nH]n1,0.876967967
Cc1n[nH]c(C)c1Cc1ccc(NCCC(C)C)cc1,0.675686709
COc1cc(-c2ccc(C)s2)cc2c1OCCN(c1noc(C)n1)C2,1.759176625
O=C(c1ccc(-c2ccncc2)cc1)N1CCC(O)(CN2CCCC2)CC1,0.675686709
CCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)ccc21,0.675686709
Cc1ccc(-c2noc(CCC(=O)N3CCCC3(C)C)n2)cc1F,2.357904369
CCN1CCN(C(=O)CNc2ncnc3onc(C)c23)CC1,0.675686709
Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2F)nc1,0.675686709
O=C(O)c1ccc(=O)n(CCc2c[nH]c3ccccc23)c1,0.675686709
CCN(C)S(=O)(=O)N(C)Cc1cnc2ccccc2c1,1.179925032
c1cc(CN2CCC(c3ccn[nH]3)CC2)ccn1,0.771587481
CCc1ccc(-c2nccn2Cc2c(C)nn(CC)c2C)o1,2.391108084
Cc1ccc(CCC(=O)Nc2nccc3sccc23)o1,1.821080984
O=C(NCc1ccc(O)c(O)c1)c1ccc2ccccc2n1,0.675686709
COc1cc(C)cc(OC)c1-c1ccc(-c2nn[nH]n2)cc1,0.675686709
CCCc1cc(-c2nn3c(C4CCCC4)nnc3s2)n(C)n1,1.997189728
Cc1cc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)on1,1.205312653
Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21,1.254403046
O=C(O)c1cc(Cl)cc2cccnc12,0.675686709
Cc1ccc(CN)c(-n2cc(Cl)cn2)n1,0.675686709
c1cc2cc[nH]c2c(CC2CN(C3CCCC3)C2)n1,0.675686709
C1CN(c2nc3c(c(N4CCSCC4)n2)SCC3)CCS1,2.099414736
Cc1cc2ccccc2n1CC(=O)N1CCc2ccc(O)cc2C1,1.403566603
O=C(c1ccc(F)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1,1.328032845
O=C(NCc1ccc(F)cc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1,2.892379028
COc1cc(F)ccc1-c1ncccc1NC(=O)C(C)C,0.675686709
Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1,2.48007884
CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO,1.430671559
Clc1cccc(-c2nnc(Cn3cnc4ccccc43)o2)c1,0.859198362
CN(C)c1ccnc(NCc2ccc(F)cc2)n1,1.73254654
O=C(COc1cccc(-n2cncn2)c1)N1CCc2ccccc21,1.577376892
CN(c1ncc(F)cn1)[C@H]1CCCNC1,0.675686709
Cc1noc(C)c1CSC(=N)N1CCOCC1,0.675686709
OC1(c2cccnc2F)CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1,1.275334393
Cc1nn(C)c(C)c1NC(=O)CN1CCC2(CCCCC2)CC1,1.091948191
Fc1ccc(-c2cc(C3CCNCC3)ccn2)cc1,0.675686709
O=C(CN1CCc2ccccc21)N1CCNC1=O,0.675686709
Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)no1,1.810326627
COCC(=O)Nc1cc(C#N)cn1C(C)(C)C,0.675686709
Cc1cccc(NC(=O)CN(C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1C,2.006448927
O=C(CN1CCCN(c2nccs2)CC1)Nc1cccc(Cl)c1,2.645352502
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@H]1O,2.548436101
CC(C)(C)c1csc(Cn2ccnc2-c2ccccn2)n1,2.084754963
Cn1cc(-c2nnc(NCc3ccc4ccccc4c3)o2)cn1,0.853637382
O=C(NCCCn1ccnc1)N1CCC12CCC2,0.675686709
O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1cnc2c(c1)CCC2,0.675686709
CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1c1ccc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)cc12,1.317394675
O=C(CSc1ccc(F)cc1)N1CCCC1,0.970579306
Cc1cn[nH]c1C1(C)CCN(Cc2cnn(C)c2)CC1,0.675686709
O=C(Nn1cnc2ccccc21)c1c2c(nc3ccccc13)CCC2,0.675686709
CCCCNC(=O)c1ccc2c(c1)nnn2C,0.675686709
COCCCNc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1,1.373573981
CS(=O)(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1,0.675686709
COc1ccccc1C(=O)NCc1nc(C)cc(N2CCCCC2)n1,1.983662364
O/N=C1/CCCc2c1cnc1ncnn21,0.675686709
COc1ccc2nc3c(cc2c1)CNCCO3,1.256765838
CON(C)C(=O)CCc1c(C)nn(C)c1C,0.675686709
COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1,1.035509785
Cc1cc(C)n2ncc(C(=O)Nc3cccc(C(=O)O)c3)c2n1,0.675686709
N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1,0.948706309
CCCn1c(=O)n(Cc2ccc(C#N)cc2F)c2ccccc21,1.730903345
O=C(NC12CCCC1NCC2)c1ccc(-c2cn[nH]c2)cc1,0.675686709
O=c1[nH]c2ccccc2n1C1CCN(CCc2ccncc2)CC1,1.482401889
CC(=O)Nc1cccc(CN2CCCN(C(C)=O)c3ccccc32)c1,2.143629875
CCN1CCC(N(C)c2ncnc3c2cnn3C)CC1,2.181949292
O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1,1.323478988
Cn1cc(-c2nc(C(=O)Nc3ccc4c(c3)OCCCO4)cs2)cn1,0.951386095
Cn1ccc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)n1,1.111464152
c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1,1.00548081
CN(CC(=O)N(C)C)Cc1cc(C#N)ccc1F,0.675686709
CC(C)N(C(=O)Cn1cccc2cc(C(F)F)nc1-2)C(C)C,2.45448356
Nc1ncnc2ccc(-c3ccnc(F)c3)nc12,0.675686709
CCOC(=O)c1cccnc1SCc1cccnc1,2.46652954
O=C(C1CC1c1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.673767142
CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)F)c1,0.675686709
COc1cc2cc(N)c(C3CCN(C(=O)C(C)(C)C)CC3)nc2cc1OC,0.847696021
Clc1snnc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,2.021615112
CO[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)CC1,2.011430872
CC(C)c1nnc(CNc2ncc(Br)cn2)n1C,0.675686709
O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1,0.678154038
O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1,2.288037986
COCCc1nc(-c2cnc(C3CC3)nc2)n(Cc2ccc(F)cc2)n1,0.906011625
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21,0.80140371
c1ccc(CCc2n[nH]c(-c3cccc4cnccc34)n2)cc1,2.027598287
CCCc1cc(CNC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)on1,1.219663101
CC(=O)N1CCc2cc(Nc3nccc(C(F)(F)F)n3)ccc21,2.115007739
Cc1c(C(=O)NC2CCN(CC3CCCCC3)CC2)cnn1C,0.675686709
Cc1cc(Cl)c(OCCCN2CCNCC2)c(Br)c1,0.675686709
NC(=O)COc1ncnc2ccccc12,0.675686709
COC(=O)CCCNC(=O)CN1CCC(C(=O)c2ccc(C)cc2C)CC1,2.809258634
Cc1cc(C)c2c(N(C)CCC(C)C)ncnc2n1,1.154180432
Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(C)(C)O)n1,0.675686709
O=C(Nc1cn(CCOCC(F)(F)F)nc1-c1ccccn1)c1coc(-c2cn[nH]c2)n1,1.713767664
c1ccc(-n2ncc3c(-n4ccnc4)ncnc32)cc1,1.204092838
Cc1cc(NC(=O)[C@H](C)N(C)C)c2ccccc2n1,0.983536082
O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,0.675686709
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N,1.321432717
O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1,2.399486814
OCCN1CCC(c2ccncn2)CC1,0.675686709
CCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C,1.334534169
COc1ccc(N)cc1N1CCOC1=O,0.675686709
O=C(OCc1cc(Cl)ccn1)c1ccc2[nH]c(C(F)F)nc2c1,2.711798796
CC(C)Nc1ccc(-c2cc3c(cc2CO)OCCO3)cn1,1.136815658
Cn1nccc1C(=O)C1CCN(C(=O)c2cccs2)CC1,1.087994255
Cc1ccn(-c2ccc(NCC3CC3)nn2)n1,1.043244354
CCc1noc(-c2ccc(C)c(N)c2)n1,2.319774171
COc1ccc(-c2cccc(C3CCCN(C(=O)C4CCCC4)C3)n2)cc1,2.243283666
Cc1nc2ncccn2c1C(=O)N(CC#Cc1ccccc1)C1CCCC1,1.804405246
O=c1ccc(C2CC2)nn1CC1CN(CC2(O)CCCC2)C1,0.675686709
COc1ccc(CCCNc2nnc(C)o2)cc1,0.675686709
O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(Cc3ccccc3)no2)CC1,1.843151769
Brc1cc2c(cc1Cn1cncn1)OCCCO2,0.886265059
CC(=O)N1CCCN(Cc2c(C)nn(C)c2Cl)CC1,1.063971007
Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cn[nH]c1,2.13205146
CS(=O)(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,0.675686709
Cc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc(C(C)C)n1,1.539176502
O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1,3.000683042
CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)C[C@@H]2C[C@@]1(C)O,1.813207241
Cc1ccnc(NC(=O)CN2CCCC2=O)c1,0.675686709
COc1cc2c(cc1OC)CN(CN1C(=O)c3cccc4cccc1c34)CC2,2.118400319
COc1ccc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)cc1,1.910981724
Cc1nccn1-c1cncc(N2CCN(CC3CCCC3)C(=O)C2)n1,1.293428854
Cc1cc(CN2CCN(c3ncccn3)CC2)on1,0.675686709
COc1cc(NC(=O)c2ccc(F)cc2C)ncn1,0.92251786
CCCc1nn(CCCN2CCCCC2)c(=O)o1,1.133858125
O=C(CCCc1nc2ccccc2[nH]1)N1CCCC1,0.675686709
CCC(C)(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1,2.845170003
O=C(CN1CCC(c2ccccc2)CC1)N1CCNC1=O,0.675686709
COCCNC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1,0.702344358
CC(C)NC(=O)Cn1nnnc1C(C)(C)C,0.675686709
O=C1CSc2ccc(C(=O)Nc3cc(C4CC4)n[nH]3)cc2N1,0.915241497
Cc1ccc(-c2nc(CC(=O)NCCC(C)C)cs2)cc1,2.666785588
Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)c(C)n1,0.913548958
c1ccc(-c2nc(CSc3ccc(-n4cccn4)nn3)cs2)cc1,1.875755579
Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1,1.752632239
Cc1ccccc1-c1nc(Cn2ccnc2C(C)C)c(C)o1,2.490768687
CONC(=O)c1c(C)nn(C)c1Cl,0.675686709
COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1,2.972102356
CCCn1ncc(CN2CCC(c3ncc[nH]3)CC2)c1C,0.865222456
CCOc1cccc(CNCCc2c[nH]c3ccccc23)c1,1.95800453
CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1,0.819280647
CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc4cc(C)ccc4o3)CC[C@@H]2O)CC1,0.861952375
COc1ccccc1-n1cc(CNC(=O)N(C)Cc2c(C)nn(C)c2C)cn1,1.878084984
O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[C@H](Oc2ccccc2F)[C@@H](O)CC1,1.685392372
Cc1cc(C)c2ccc(C(=O)N3CCN(c4nc[nH]n4)CC3)cc2n1,0.675686709
CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2,1.542161534
O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,0.675686709
O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccc2O)CC1,0.764026608
COc1cc2nc(CN3CCC(CO)CC3)[nH]c(=O)c2cc1OC,0.675686709
CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,1.013300787
NS(=O)(=O)C#Cc1ccccc1,1.023705043
CCCC(=O)Nc1ccc(C)c2ncccc12,0.941262909
Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CCn3ncc4ccccc43)C2)n1,2.538235566
COc1ccc(Cl)cc1-c1cccc(C(=O)NCCN2CCCC2=O)c1,2.024777015
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,1.507410559
CN1CCC[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1,0.854973674
CCOC(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1,1.575753445
Cc1nnc(-c2ccccc2-c2ccc(O)cc2)s1,1.165184952
COc1ccnc(N2CC(n3nc(C)cc3C)C2)n1,0.675686709
CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1,2.255940322
CC(C)CCN1CCc2nc3cc(C4CC4)nn3c(O)c2C1,0.882068944
C#CCN1CCN(C(=O)CCS(C)(=O)=O)CC1,0.675686709
CN(C)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O,0.739493231
Cn1cc(CCNc2cncc(Br)c2)cn1,1.079868335
O=C(NCc1cnn(-c2ccccc2)c1)C1CCC1,0.675686709
Oc1ccc2nc(/C=C/c3csnn3)ccc2c1Cl,1.997316472
Cc1cccc(C)c1NCc1noc(C2CC2)n1,2.308321055
CCN(CCOC)C(=O)Nc1ccc2occc(=O)c2c1,0.992420956
CCOc1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cn1,0.675686709
O=C(NCc1ccc(F)cc1)c1ccc(-n2ccnc2)nc1,0.675686709
Cc1nc2cc(NC(=O)CCc3c(C)noc3C)ccc2o1,0.675686709
Cc1nc(CNC2CCN(C(=O)C3CC3)CC2)cs1,0.675686709
Nc1ccc2[nH]c(CCc3ccccc3)nc2c1,0.675686709
CN1CCc2nc(C(=O)N[C@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1,0.675686709
C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C,0.675686709
Cc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1,1.964127577
O=C(NC1CCCC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,2.072062313
COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,1.564145072
O=C(CCOc1ccccc1)N1CCCC1,0.675686709
CN(CCNC(=O)NC1CCOCC1)C1CCCC1,0.675686709
CCCN1CCn2nc(-c3nc4cc(OC)ccc4[nH]3)cc2C1,0.675686709
Cc1nc2cc(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)ccc2n1C,0.675686709
CN(C)c1ccnc2sc3c(=O)n(N4CCCCCC4)cnc3c12,0.933942603
Cc1ccc2nc(C)c(-c3nc(C)nn3CCO)cc2c1,0.675686709
O=C(C1CCCCC1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1,2.11231001
COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1,1.403926565
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,0.675686709
CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1,1.468332558
CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cc1,1.609647759
COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1,2.257044666
COCC(=O)Nc1ccc(C)c(NC(=O)[C@H](OC)c2ccccc2)c1,1.930623061
O=C(CC1CCN(c2ncc(Cl)cn2)CC1)N1CCOCC1,0.675686709
COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)c1,2.914450527
Cc1cc(NC(=O)c2ccc(NC3CC3)nc2)[nH]n1,0.807467376
CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21,2.273635458
Cc1ccc(C)c2c(O)cc(CN3CC(c4ccccn4)C3)nc12,1.562447517
Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cn1,0.675686709
Clc1ccccc1CNCc1ccc2c(c1)OCCO2,2.680778648
O=C1CCCN1CCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1,0.675686709
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.10503305
CCCc1cnc(C)nc1N(C)CCC(C)(C)O,0.910571048
O=C(C1CCCN(c2ccccn2)C1)N1CCc2ccccc2C1,2.236272674
Cc1cccc(NC(=O)N2CCC(N3CC=CC3)CC2)c1Cl,0.959613711
O=C(O)c1cnn(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1,0.675686709
COc1ccc(N)c(OCc2ccccc2)c1,2.01301428
CNC(=O)c1ccc(N2CCCC2)nc1,1.650200637
COc1cccc(Cc2cnc(N)s2)c1,1.250639534
CC(C)N1CCN(CCCSc2ncc[nH]2)CC1,0.675686709
CSc1nnc(CCCNc2cc(C)ccn2)n1C1CCCC1,2.141380783
Cc1nc(N(C)C)cc(C2(C)CCNCC2)n1,0.675686709
Cc1nn(C)c2ncnc(N(C)Cc3cccc(Cl)c3)c12,1.451939869
CN1CCC(CNc2nccc3cccnc23)CC1,0.675686709
CC(C)NC(=O)CN(C#N)c1ccccc1,0.675686709
O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2cc(F)c(F)cc21,2.032457583
Cc1nn(C)c(C)c1CCC(=O)N1CCN(C)Cc2ccccc21,1.870626263
Cc1cccc(NC(=O)C(=O)c2c(C)nn(C)c2C)n1,1.286748297
COc1ncc(C(=O)NCc2cnn3cccnc23)cn1,0.675686709
CN(c1nc2ccccc2o1)C1CCN(C2CCOCC2)CC1,2.641865592
O=C(NCc1ccc2c(c1)OCCO2)c1sccc1C1CC1,2.167981563
COc1cccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)c1,2.034692614
CCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,1.340741475
O=C1CCC(=O)N1Cc1nc(Cc2ccccc2)cs1,0.675686709
C[C@@H](CO)Nc1nc(C(F)(F)F)nc2[nH]cnc12,0.675686709
Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,0.754424789
CCCN(CCC1=CCCCC1)C(=O)Cc1n[nH]c(=O)[nH]1,0.675686709
Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCO4)cn2)n1,1.056981037
CCN(C(=O)CN1CCNC(=O)C1)c1ccc(F)cc1,0.675686709
O=C(c1cccs1)N1CCCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)C1,2.884894442
CCc1ccccc1NC(=O)Cn1nc(C)cc1C,1.401934464
O=C(c1cccc(CNc2ccc3nccnc3n2)c1)N1CCCCC1,1.14213908
O=C(NCC1=CCCN(Cc2cc(F)ccc2Cl)C1)c1ccco1,2.300049556
Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1,1.974212235
CC1CCC(NC(=O)c2oc3ccccc3c2CS(C)=O)CC1,1.181729285
NCc1cccc(C(=O)N2CCCC2)c1,0.675686709
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,1.124764984
COCCc1n[nH]c(-c2ccc(N3CCN(C)CC3)cc2)n1,0.675686709
COc1cccc(Oc2ccc(NC(=O)CN3CCOCC3)cn2)c1,0.675686709
CC1(CNC(=O)N2CCN(Cc3ccon3)CC2)CCCC1,0.870462432
O=C(O)CNc1nc(-c2ccccc2)nc2ccccc12,0.675686709
CC(C)(C)C(=O)N1CCC(CN(CC(N)=O)C2CCCC2)CC1,1.47444938
Cc1nc(NC(c2nccn2C)C2CC2)c2sccc2n1,1.64086885
O=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1,2.077872774
COc1ccc(-n2c(Cn3cnc(C#N)n3)nc3ccccc32)cc1,0.698535493
CCCn1cnnc1CN(C)Cc1cc(C(C)C)on1,0.675686709
CN(C)c1cc(CNc2ccc(C#N)cn2)ccn1,1.018034403
O=C(c1ccc2[nH]ccc2c1)N1CCCC(c2cccc(-c3ccc(F)cc3)n2)C1,1.861886721
CCC1(CC)NC(=O)N(CC(=O)N2CCOCC3(CCCC3)C2)C1=O,1.486246237
Cc1cc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1Cl,2.63502307
COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12,1.360233561
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1,1.268718346
Cc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O,0.802910489
C1CCC(OCc2noc(C3CC3)n2)CC1,1.532053339
OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1,0.964118143
COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1OC,1.805113286
Cc1cc(CN(C)Cc2cscn2)no1,0.675686709
CCC(CC)N1CC[C@H](O)[C@@](O)(COc2cc(C)ccc2Cl)C1,2.569262688
O=C(NCc1nc(-c2cnccn2)n[nH]1)C1Cc2ccccc2C1,0.675686709
O=C(Cc1cccc(I)c1)N1CC(CO)C1,0.675686709
COc1ccc(CN(C)c2ncncc2Br)cc1O,1.413718765
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1,2.352111095
CN1CCNc2nc3ccccc3nc21,1.869255194
c1ccc(OCc2cc(CC3(NCc4cnc5ccccc5c4)COC3)no2)cc1,2.184671561
CC(=O)Nc1cccc(OCC(=O)N2CCCCC2)c1,0.675686709
CC(C)N(C(=O)Cn1cccc2cc(-c3ccco3)nc1-2)C(C)C,2.57133026
COc1ccccc1C(=O)Nc1cccc(C#N)c1,1.93200167
CCOc1cc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)cc(OCC)c1OCC,0.881384657
CC(=O)Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1,0.675686709
O=C(C1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1,0.732071941
COCC(=O)Nc1cccc(-n2cccc2)c1,2.312775898
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1,1.459377408
CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(F)c2)C1,2.447729993
Cc1nsc(NCc2cncs2)n1,0.675686709
Cc1ccsc1-c1nc(CN(C)CCc2cn[nH]c2)c(C)o1,2.26828538
CCn1nccc1CNc1nnc(-c2ccc(OC)cc2)o1,0.821120324
Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12,1.203875623
O=c1oc2cccnc2n1Cc1ncc(-c2ccc(F)cc2)o1,0.675686709
CN(Cc1cscn1)c1nc2c(cc1C#N)CCC2,1.977385181
Cc1nn(C)c2nc(-c3ccncc3)cc(C(=O)O)c12,0.675686709
NC1(c2noc(-c3cccnc3)n2)CCCCCC1,0.675686709
Cc1cccnc1CNc1ccc(C#N)cc1F,1.517354274
Cc1cc(N(C)C)nc(N(C)Cc2csc(C)n2)n1,1.486047734
CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1,1.530250939
NC(=O)CN1CCC(CCc2ccccc2)CC1,0.675686709
Cc1ccc(-n2ccnc2-c2ccoc2)c2cccnc12,1.741009701
CCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1,0.675686709
COc1ccc(OC)c(S(=O)(=O)NCCC(=O)Nc2ccccc2C)c1,1.711630102
CC(C)N(C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1,2.163113648
COc1ccc(Cc2noc(-c3cccc4c3OCC(=O)N4)n2)cc1,1.269746373
CC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1,1.619166403
c1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1,1.935713784
c1ccc(-c2noc(NC3CC3)n2)cc1,1.920138986
Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C)CC1,1.955408712
O=C(C1CC1)N1CCC(CNS(=O)(=O)N2CCCCCC2)CC1,1.60686484
O=C(O)c1ccc(CCC(=O)N2CCc3c(F)cc(F)cc3C2)cc1,0.675686709
Cc1noc(C(C)C)c1C(=O)N1CC(C)OC(c2ccccc2)C1,1.852187112
CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1,1.332155571
Cc1cc(-n2ccnc2)ccc1C(=O)O,0.675686709
COc1cccc(C(=O)N(C)CC(F)(F)F)c1OCCCN,0.675686709
CN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)nc1,0.675686709
Fc1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1,1.504457269
OC1CCN(c2nccc(-c3cccs3)n2)CC1,1.720969231
c1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1,2.067625
Nc1ncc(C(=O)NC2CN(C(=O)C3CC3)C2)c2ccc(-c3cccc(F)c3)nc12,0.675686709
C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,0.675686709
CCn1ncc(-c2cc(C(F)F)nc(NCCCOC)n2)c1C,1.639685661
Cn1c(C2CC2)nc2c1CCN(c1ncnc3ccsc13)C2,1.503858749
Cc1ccc(Oc2ccc(N)cc2)nn1,0.675686709
CCn1nc(CNC(=O)c2nc(C)c[nH]2)c2ccccc21,1.049334336
CCn1c(=O)n(CC)c2cc(N)ccc21,0.675686709
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,1.621819973
C=CCNC1=C2C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,2.688916129
CNc1ncc(-c2nc(C3(c4ccccc4)CC3)nn2C(C)(C)C)cn1,1.788642017
O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccncc1,1.275495631
Cc1ccc(-c2ccc(-c3nccn3CCCn3cnnc3)o2)cc1,1.196037941
COc1ccc(NC(=O)CN2CCCC2)cc1,0.675686709
C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(Br)cc1,1.948222186
CCn1cc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c(C)n1,2.197947343
CCCN(CCC1=CCCCC1)C(=O)c1cc(C(F)F)n[nH]1,1.819023787
CO[C@H]1[C@H](C2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/c1ccc(OCCN(C)C)cc1)CO2,2.321213048
O=C(Nc1cc[nH]n1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1,1.257414559
Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)n1,0.675686709
CCNC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1,0.675686709
C[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,0.675686709
N#Cc1ccc(N2CCc3c(ncn3C3CC3)C2)nc1,1.126358727
C=CCn1cnc2c(Cl)cc(-c3ccc(C(=O)NC4CC4)o3)cc21,1.439837761
CCc1sc(N)nc1-c1ccc(OC)cc1,2.266417514
N#Cc1cccnc1NCCc1ccc(F)cc1,2.251881455
C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1,1.559798935
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,1.028327198
Cc1cc(C(=O)N(C)C2CCSCC2)c(=O)n(C)c1C,1.46386314
Cc1cc(C)c(CC(=O)N2CC(CO)C2)c(C)c1,0.698448538
COCc1ccccc1COC(=O)c1ccc(C)nc1,2.647509132
CC(=O)Nc1ccc2nc(C)cc(O)c2c1,0.675686709
O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(-c2cnco2)cc1,1.434185534
O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21,2.186163547
COc1cc(CNc2nc3ccccc3nc2C)ccn1,1.041984501
CN1C(=O)c2ccc(C(=O)N(CC3CCCCC3)C3CC3)cc2C1=O,2.089809768
C#CCNC(=O)c1cc(C(C)C)nn1CC,0.675686709
CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1,0.675686709
Cc1ccc(F)c(-c2noc(N)c2C)c1,1.292743271
N#Cc1cc(Oc2ccc3c(c2)CCC3)ncn1,1.824197451
Cc1ncc(C)n2nc([C@@H]3C[C@H]3c3nc4c5cccnc5ccn4c3C)nc12,1.207149453
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,2.174678956
COCCc1nc(-c2ccccc2-c2ccccc2)n(CCO)n1,1.388633969
N#Cc1cccc(NCc2ccc(-c3cccnc3)o2)c1,1.961340398
O=C(NCC1(c2ccccc2)CC1)c1cccnc1,0.675686709
Cc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1,1.507059385
Cc1cccc(NCC2CCN(C(=O)c3ccccc3)CC2)n1,1.120178938
CCOC(C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,0.675686709
CCOc1ccc(CC(=O)NCCn2cccnc2=O)cc1,0.675686709
Cc1ccc(NC(=O)OCC(F)(F)F)cn1,0.675686709
O=C(NC[C@]1(O)CCN(Cc2cscn2)C[C@H]1O)c1c[nH]cn1,0.675686709
COc1cc(OC)cc(N2CCC(NCC3(C)CCOCC3)CC2)c1,0.675686709
CN(C)c1cnn(CCC(C#N)(c2ccccc2)c2ccccc2)c(=O)c1,2.092874971
CCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,1.002856926
Cn1nc(N)c2ccc(Br)cc21,1.380826057
CN(C)Cc1csc(-c2nccn2-c2ccc3c(c2)n(C)c(=O)n3C)c1,0.675686709
N#CCCN(C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2,2.417627779
CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1,0.978819387
CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)COc2ccccc21,0.675686709
c1ccc2nc(N3CCCC4(CCNCC4)CC3)cnc2c1,0.675686709
CN(C)c1cncc(-c2ccc(C(=O)NC(C)(C)C)cc2)n1,1.272213037
COc1cccc([C@@H](C)n2cnc3cn(C)nc3c2=O)c1,0.675686709
C#CCN1CCC(c2nc(Cc3noc(C)n3)no2)CC1,0.675686709
N#CCCN(C(=O)c1sccc1C#N)C12CC3CC(CC(C3)C1)C2,2.505268036
CC(C)(C)c1nccc(NCc2ccncc2)n1,1.148787684
COc1nc(C)nc(N(C)Cc2nccs2)c1C,2.116677465
COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCC(N)=O,2.197440459
Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(N(C)C)n1,1.712683367
CCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1,0.847202364
N#Cc1cccc(CN2CCC=C(CNC(=O)c3cccs3)C2)c1,1.753621355
Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(NC2CCCC2)n1,0.998172122
Fc1cc(-c2ccncc2)ccc1CNc1ncccn1,1.386659455
Cc1nn(CCC#N)c(C)c1Oc1ccccc1O,0.675686709
Cc1cc(C)nc(SCC(=O)N2c3ccccc3C(C)(c3ccc(Cl)cc3)CC2(C)C)n1,3.015502667
CC(C)c1nnc(NCc2ccn(C)c2)o1,0.675686709
Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1,1.821827836
CC(C)Oc1ccc(C2(C(=O)NC3CCS(=O)(=O)CC3)CCCC2)cc1,1.195650622
O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1,0.675686709
CC(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1,0.675686709
CC1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1,1.578146195
CCC(C)(C)N1CCN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1,0.675686709
CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1,1.652874598
COc1cncc(-c2ccnc3[nH]ccc23)c1,1.826541257
O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccncc1,0.888684847
Cc1ccc(NC(=O)CN2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1F,2.698323293
Cc1nn(CCNS(=O)(=O)N2CCCCC2)c(C)c1C,2.210973615
C[C@@H](NC(=O)N1CCC2(CCN(C)CC2)C1)c1ccc(F)cc1,0.675686709
CSCc1c(C(=O)NC(C)C)oc2ccccc12,1.930103039
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C(C)C)cc2)CC1,2.128396037
Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21,1.606972206
COCC1(C(=O)N(C)Cc2ccc3ccccc3n2)CCC1,1.777738475
O=c1c2c(Cl)ccc(Cl)c2ncn1Cc1cc(O)ncn1,0.675686709
Cc1cc(C)nc(NC(=O)N(C)C2CCC2)c1,1.966592226
O=C(Cc1c(F)cccc1Cl)Nc1cccc2cnccc12,1.796761608
CC(c1ccccc1)N1CC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O,1.506816098
Cc1nc(-c2cccc(C(N)=O)c2)sc1-c1ccc(F)cc1,1.257846502
O=C(c1ccc(O)cc1)N1CCN(c2ncnc3c2CCC3)CC1,1.082928915
C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21,0.675686709
COc1ccc(CCn2c(C3CC3)n[nH]c2=O)cc1,0.745387121
O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1ccc(Cl)cc1,0.675686709
CN(Cc1cnc2ccccc2n1)S(=O)(=O)N1CCCC1,1.124112792
O=C(NC1(c2ccccc2)CCC1)c1cc(C2CC2)on1,0.911743378
CN(CCN(C)C1CCCC1)C(=O)c1ccc(-c2nc[nH]n2)cc1,0.675686709
Nc1nc2ccccc2n1C1CCCC1,1.569362203
CC(C)(C)CC(=O)N1CCC(OCCCN)CC1,0.675686709
Cc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@@H](C)C2)s1,1.878648159
Nc1ccc(CC(=O)Nc2ccccc2F)cc1,0.675686709
Cc1cc(C(=O)NCCc2ccccn2)c(C)s1,1.799850374
Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2,1.176236
O=c1[nH]c2cnccc2n1Cc1ccccc1,0.675686709
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,2.289894278
N#Cc1cccnc1NCCc1cn2c(n1)CCCC2,1.059714846
Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)O,0.675686709
O=C(c1cn(Cc2cncn2Cc2ccc(Br)cc2)cc1-c1cccc2ccccc12)N1CCOCC1,2.17634597
CCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1,1.854977534
Cc1ccccc1-n1nc(C(C)(C)C)cc1N,0.816042341
CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1,2.15518416
Cc1cccnc1NC(=O)Cc1coc2c(C)c(C)ccc12,2.09405865
Cn1c(=O)c2c(nc3n2CCN3Cc2c(F)cccc2Cl)n(C)c1=O,1.074926097
CC(C)CCN1CCC(CNC(=O)C2CC=CC2)CC1,1.098158983
Cc1nc(-c2cccc(-c3ccc(C(=O)NC[C@@H]4CCCN4)cc3)c2)no1,0.675686709
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCNC1,1.543708051
Cc1cccc(N2CCN(CCCCNC(=O)c3c(F)cccc3F)CC2)c1,1.882638362
Cn1c(=O)c2c(ncn2C)n(C)c1=O,0.675686709
Cc1ccc(C(=O)NCCc2csc(C)n2)cn1,0.871864702
CCc1nnc(N2CC(N(C)C)C2)c(C#N)c1CC,0.961468555
NC(=O)Cn1cc(-c2ccc(F)cc2)cn1,0.675686709
Cc1cc(C)c(NC(=O)CN(C)c2ccc(C#N)nc2)c(C)c1,1.158573556
Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,0.675686709
Cc1ccc(CCNC(=O)c2ccncc2)o1,0.675686709
CCc1cc2c(OCC(=O)N3CCCC3)ncnc2s1,1.411383978
Cc1nc(O)c2c(n1)CN(Cc1ccccc1)CC2,0.675686709
CCc1nc2ccccc2n1CC(=O)Nc1cnc2ccccc2c1,1.328909405
Cc1n[nH]c(C2CCN(C(=O)NC3CCN(c4ccc(F)cc4)CC3)CC2)n1,0.675686709
CN(CCOCCOc1ccccc1-c1ccccc1)Cc1ccccc1.O=C(O)C(=O)O,2.334294883
CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-],1.631960961
CC(C)CN1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1,0.825361196
Clc1ccc2c(NCCN3CCOCC3)ncnc2c1,1.066661302
Cc1nc(Cl)cc(Nc2cnn(C(C)(C)C)c2)n1,0.675686709
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,1.10561236
CN(C(=O)c1cccc(C(=O)O)c1)c1ccccc1,0.675686709
Cn1ccc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n1,0.945763923
CN(CC(=O)NC1(C#N)CCCCC1)c1cccc(C#N)c1,1.933284772
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1,2.087260827
CCCn1nccc1NC(=O)c1c(C)noc1C,0.675686709
Cc1cnc(C(C)(C)NCC(=O)N(C)C)s1,0.675686709
Cc1nonc1C(=O)Nc1cccnc1N(C)C,1.220918364
Cc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,2.058228573
Cc1noc2ncnc(N3CCCN(C(=O)C4CC4)CC3)c12,0.808210973
COc1ccc(OC)c(-c2cc(C(=O)N3CCCN(C(C)=O)CC3)no2)c1,1.109004508
N#Cc1cc(N2CC(CO)C2)nc2ccc(Cl)cc12,1.838364173
Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1,1.429461577
CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1,1.094051656
Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(-c2ccn[nH]2)c1,1.482273157
COc1ccc(N2CCCN(CC3CCN(C(=O)C4CC4)CC3)CC2)cc1,0.701654317
O=C(NCCN1CCc2ccccc2C1=O)c1ccon1,0.675686709
O=C1NC2(CCC2)C(=O)N1Cc1ccon1,0.675686709
CCCCN(C)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1,2.102776615
O=C(Nn1cnc2ccccc21)c1cc(Cl)ccc1F,0.675686709
O=C(Nc1ccc2ccccc2n1)c1ccc(N2CCOC2=O)cc1,0.713490543
CS(=O)(=O)NCCN1CCc2c(Cl)cc(Cl)cc2C1,1.155062619
O=C(NC[C@]1(O)CCN(Cc2ccsc2)C[C@H]1O)c1c[nH]cn1,0.675686709
COc1ccc(CCC(=O)N2CCCNCC2)cc1,0.675686709
Cc1cc(C)n(CCNC(=O)NC2CCOCC2)n1,0.675686709
Cc1nc(CC(=O)NCc2ccccc2)cs1,0.675686709
CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccncc3)C2)cc1,1.732482218
COc1cccc(Oc2ccc(NC(=O)CN3CCCCC3=O)cn2)c1,0.675686709
Cc1nnc2ncc(-c3cccc4ccnn34)cn12,0.969741977
O=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1,1.551815822
Cc1ccc2[nH]c(CNC(=O)c3cc(C(F)F)nn3C)nc2c1C,1.299834041
CNC(=O)Cn1ccc2cc(OC)ccc21,0.675686709
O=C(Cc1cn2ccccc2n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.529468854
Cc1nnsc1CN(C)c1ccc2cc[nH]c2n1,1.594094078
O=C1c2ccccc2C(=O)N1CCNc1ccc(F)cc1,1.942677591
Cc1cnc(NCC2(CO)CCCC2)nc1N(C)C,1.472258992
CCOc1ccc2[nH]c(C(=O)N3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c(C)c2c1,2.036780553
Cc1oc2ncnc(NCc3cc(F)cc4c3OCOC4)c2c1C,2.1041353
Cc1ccncc1NC(=O)Cc1ccc(F)cc1,0.675686709
Cc1nn(C)c(C)c1CCC(=O)N1CCCc2ncccc21,1.902481549
O=c1cc(CN2CCCCc3ccccc32)[nH]c2ccnn12,1.534609852
Cn1cc(C(=O)O)c(C2CCCCC2)n1,0.675686709
CCc1nnnn1Cc1noc2c1CCCC2,0.675686709
Cc1cc(C)nc(Nc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc2)n1,0.918082785
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,1.32516661
O=C(NCc1cccc(O)c1)Nc1ccccc1F,0.675686709
CN(CC#N)C(=O)c1cccc(CN2CCCC2)c1,0.675686709
CCN1CCOC(C(=O)N2CCC(c3cn[nH]c3)CC2)C1,0.675686709
c1cc(-c2noc(CN3CCOCC3)n2)ccn1,0.675686709
CCCNC(=O)CSc1nc2cc(C)ccc2[nH]1,2.027512692
O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F,1.222690465
CC(C)(C)CCCNC(=O)N1CCN(Cc2ccon2)CC1,1.233046902
O=C(O)Cc1ccc(Oc2ccncc2)cc1,0.675686709
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,0.962132469
COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC,1.693946678
Cc1cccnc1CNC(=O)c1ccc(Cl)s1,1.597881585
Cc1cc(-c2nc(N(C)C)no2)cc(O)n1,0.675686709
Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)sc1Br,1.559308011
CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)F)n1,0.675686709
CC(C)(C)c1csc(CCNC(=O)N2CCSCC2)n1,2.105251234
O=C1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1,0.720407401
COc1nn(C)cc1C(=O)Nc1cccc2cnccc12,1.998886781
Cc1cc(CO)nc(N2CCCCC2)n1,1.426625106
CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCOCC1,0.953276337
CCCn1cc(CN2CCC(c3nc(N(C)C)no3)CC2)cn1,1.321494867
CN1N=C(SCc2ccc(Cl)cc2Cl)Sc2c1cnn(C)c2=O,2.13664448
c1ccc(CCn2cnc3c2CCN(c2ncccn2)C3)cc1,2.314783332
CCCC(=O)N1CCC(c2cccc(C)n2)CC1,0.675686709
COCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1,1.006893708
O=C(Nc1ccc(F)cc1F)N1CCn2c1nc1ccccc12,1.894703653
CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cnn(C)c1,1.02094106
O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2,1.358296608
CSc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1,2.0743629
O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1ccc(OC(F)F)cc1,2.557246066
c1ccc(-c2n[nH]c(C3CCN(c4ccccn4)CC3)n2)cc1,1.197638876
COc1nn(C)cc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1,1.021644036
Cc1cccc(-c2ncc(CNCc3ccccc3-n3cccn3)cn2)c1,2.481132922
CC1(C)CN(C(=O)C2(C(=O)N3CC(C)(C)C3(C)C)CCC2)C1(C)C,2.48279929
CN(C)c1nc(N)nc(Sc2ccccc2)n1,2.03213908
CCn1c(CN2CCCCCC2)nc2ccccc2c1=O,1.409696478
COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(F)c4)[C@H]23)cc1,2.24496946
O=c1c2cccc(C(F)(F)F)c2ncn1C1CCCC1,2.059067122
CC(C)(C)c1cnc(CN2CCC(=O)Nc3cc(F)ccc32)o1,1.994031049
Cc1ccsc1-c1nsc(NC(=O)CN(C)C)n1,0.675686709
O=C1OCCN1CCN1CCC(c2cc3ccccc3[nH]2)CC1,1.045635871
CCc1nc(CN2CCC(=O)Nc3cc(F)ccc32)n[nH]1,0.675686709
CN1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)CC1,0.675686709
O=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1,1.784759895
CN(C)c1ccc(-c2ccc(COCc3cccs3)cc2)nn1,1.883553558
CCNc1cc2c(nn1)CCN(C(=O)Cn1ccc3ccccc31)C2,0.675686709
Cc1cnn(CCNC(=O)C2(Cn3cccn3)CC2)c1,1.008046306
O=C1N=C2C=CC=CN2C12Cc1ccccc1C2,0.675686709
O=C1CCC(=O)N1Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1,2.019872011
Cc1cccc2cnc(C3CCN(C(=O)CCc4ccno4)CC3)cc12,1.494224187
CN(Cc1nncn1C)C1CCN(c2ccccc2F)CC1,0.675686709
CCN1CCc2ncnc(N3CCNc4ccccc4C3)c2C1,0.675686709
Cc1cc(C(=O)N(C)C2CCC2)n2nccc2n1,0.675686709
NCCN1CCN(C/C=C/C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1,0.957559402
CCN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCCC2)CC1,1.500785173
Cn1c(=O)n(C)c2cc(CN3CCC(c4ccc(Cc5ccccc5F)cn4)CC3)ccc21,1.928616017
CN(C)c1ncncc1NC(=O)c1ccc(C(F)(F)F)nc1,0.675686709