diff --git "a/example-data/stokes2020-eco.csv" "b/example-data/stokes2020-eco.csv"
new file mode 100755--- /dev/null
+++ "b/example-data/stokes2020-eco.csv"
@@ -0,0 +1,2336 @@
+Mean_Growth,SMILES,Name,Activity
+0.041572,Cc1cc(O)c(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)cn1,CEFPIRAMIDE,Active
+0.041876,CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O,GEMIFLOXACIN MESYLATE,Active
+0.041916,CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O.O=S(=O)(O)O,POLYMYXIN B SULFATE,Active
+0.041964,Cl.N=C(N)n1cccn1,PRAXADINE HYDROCHLORIDE,Active
+0.0422955,Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,CHLORHEXIDINE DIHYDROCHLORIDE,Active
+0.0424465,CCOC(=O)c1c(C)cc(O)c(C=O)c1O,"HAEMATOMMIC ACID, ETHYL ESTER",Active
+0.0428185,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CSC12)c1csc(N)n1.[Na+],CEFOTAXIME SODIUM,Active
+0.0428205,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,CHLORAMPHENICOL,Active
+0.0431175,COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,GATIFLOXACIN,Active
+0.043289,Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1.[Na+],CEFAZOLIN SODIUM,Active
+0.043393,O=C1C=C2C(=CCOC2O)O1,PATULIN,Active
+0.0434565,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.[Na+],CEPHALOTHIN SODIUM,Active
+0.0435055,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,AZITHROMYCIN,Active
+0.043565,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1,RUFLOXACIN HYDROCHLORIDE,Active
+0.0436985,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1.[Cl-],CEFEPIME HYDROCHLORIDE,Active
+0.0437805,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,PRULIFLOXACIN,Active
+0.043797,CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)O)C(O)C(O)C3N)C2O)OCC1(C)O,GENETICIN,Active
+0.0438055,Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,CLINAFOXACIN HYDROCHLORIDE,Active
+0.043984,Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O.Cl,TELENZEPINE HYDROCHLORIDE,Active
+0.043985,O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CSC2C(NC(=O)C(O)c3ccccc3)C(=O)N12.[Na+].[Na+],CEFONICID SODIUM,Active
+0.044023,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,TRIMETHOPRIM,Active
+0.044173,CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,OLOPATADINE HYDROCHLORIDE,Active
+0.044175,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,FLEROXACIN,Active
+0.0443235,CC1(C)SC2C(N3C(=O)C(c4ccccc4)NC3(C)C)C(=O)N2C1C(=O)[O-].[K+],HETACILLIN POTASSIUM,Active
+0.044455,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,TOBRAMYCIN,Active
+0.0446025,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,TRICLOSAN,Active
+0.04471,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1.Cl,CEFTIOFUR HYDROCHLORIDE,Active
+0.0447265,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,OFLOXACIN,Active
+0.0447805,COC1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21,CEFOTETAN,Active
+0.0448905,Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O,ZIDOVUDINE [AZT],Active
+0.044898,CC(N)O.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1,PIROCTONE OLAMINE,Active
+0.044921,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,ENROFLOXACIN,Active
+0.045326,NCc1ccccc1CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CSC12,CEFORANIDE,Active
+0.0455115,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23,FLUMEQUINE,Active
+0.045535,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O,PEFLOXACIN MESYLATE,Active
+0.0456015,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,NORFLOXACIN,Active
+0.04564,Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,SARAFLOXACIN HYDROCHLORIDE,Active
+0.0457185,O=C(Cn1cnnn1)NC1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CSC12,CEFTEZOLE,Active
+0.045735,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,FURAZOLIDONE,Active
+0.0458265,COC1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CSC21.[Na+],CEFMETAZOLE SODIUM,Active
+0.045905,COc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl,MOXIFLOXACIN HYDROCHLORIDE,Active
+0.0459905,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O,CEFOPERAZONE,Active
+0.0461185,Nc1c2ccccc2nc2ccccc12,AMINACRINE,Active
+0.046195,O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1,NITROFURANTOIN,Active
+0.046245,CC1CCC2(C)C(C=O)=CCCC2C1(C)CC1OC(O)C(=O)C12CO2,CLEROCIDIN,Active
+0.046256,CS(=O)(=O)c1ccc(C(O)C(CF)NC(=O)C(Cl)Cl)cc1,FLORFENICOL,Active
+0.0463205,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1.[Na+],CEFAMANDOLE SODIUM,Active
+0.046349,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-],METHYLBENZETHONIUM CHLORIDE,Active
+0.0464255,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC12)c1ccco1.[Na+],CEFUROXIME SODIUM,Active
+0.046508,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+],PIPERACILLIN SODIUM,Active
+0.046522,NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O.O,AMIKACIN HYDRATE,Active
+0.0466595,CC(NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl,CINACALCET HYDROCHLORIDE,Active
+0.0468785,CCC1OC(OC(c2c[nH]cn2)C(NC(=O)c2nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c2C)C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc2nc(-c3nc(C(=O)NCCCCNC(=N)N)cs3)cs2)C(C)O)C(OC2OC(CO)C(O)C(OC(N)=O)C2O)C(C)C1C.O=S(=O)(O)O.O=S(=O)(O)O,BLEOMYCIN (bleomycin B2 shown),Active
+0.046906,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-],BENZETHONIUM CHLORIDE,Active
+0.0474375,NC(=O)NN=Cc1ccc([N+](=O)[O-])o1,NITROFURAZONE,Active
+0.0474895,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1,MARBOFLOXACIN,Active
+0.0475045,CCC(C)C1NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C(C)CC)NC1=O.O=S(=O)(O)O.O=S(=O)(O)O,COLISTIN SULFATE,Active
+0.047519,O=[N+]([O-])C(Br)(CO)CO,BRONOPOL,Active
+0.04758,CC1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.CS(=O)(=O)O,PAZUFLOXACIN MESYLATE,Active
+0.0477045,CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1.Cl,DIFLOXACIN HYDROCHLORIDE,Active
+0.047809,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl,LOMEFLOXACIN HYDROCHLORIDE,Active
+0.047841,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,CIPROFLOXACIN,Active
+0.048002,CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O.Cl.Cl,SPECTINOMYCIN HYDROCHLORIDE,Active
+0.0481735,CCn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3.[K+],OXOLINIC ACID,Active
+0.048303,COC1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)COC21.[Na+].[Na+],MOXALACTAM DISODIUM,Active
+0.048321,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O.O=S(=O)(O)O,BEKANAMYCIN SULFATE,Active
+0.0483815,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,NADIFLOXACIN,Active
+0.048444,CC[Hg]Sc1ccccc1C(=O)[O-].[Na+],THIMEROSAL,Active
+0.0485235,Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1,CEFTIBUTEN,Active
+0.04856,CC1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1,ORBIFLOXACIN,Active
+0.0489455,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl,DONEPEZIL HYDROCHLORIDE,Active
+0.049038,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,ENOXACIN,Active
+0.049089,NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1,CEFACLOR,Active
+0.049107,CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O,DIMENHYDRINATE,Active
+0.049189,CON=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C=Cc3scnc3C)CSC12)c1csc(N)n1,CEFDITORIN PIVOXIL,Active
+0.0493065,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,BUSPIRONE HYDROCHLORIDE,Active
+0.0493745,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CSC12)c1csc(N)n1.O.O.O.[Na+].[Na+],CEFTRIAXONE SODIUM TRIHYDRATE,Active
+0.049478,CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1,SPARFLOXACIN,Active
+0.0495885,COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,RONNEL,Active
+0.0498545,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,AZTREONAM,Active
+0.0498545,CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C,TELITHROMYCIN,Active
+0.04991,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,RIFAXIMIN,Active
+0.0499545,Nc1ncn(C2OC(CO)C(O)C2O)c(=O)n1,AZACITIDINE,Active
+0.0500205,C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NO)c3csc(N)n3)C2SC1,CEFDINIR,Active
+0.0500505,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,PIPEMIDIC ACID,Active
+0.050236,COc1ccc(Cc2cnc(N)nc2N)cc1OC,DIAVERIDINE,Active
+0.0503405,COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12,MITOMYCIN,Active
+0.0505685,[O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-],PYRITHIONE ZINC,Active
+0.051062,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O,CEFTAZIDIME,Active
+0.051131,CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C.Cl,BACAMPICILLIN HYDROCHLORIDE,Active
+0.051263,COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C.Cl,NOSCAPINE HYDROCHLORIDE,Active
+0.051658,O=C([O-])CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1.[Na+],CHLORAMPHENICOL SODIUM SUCCINATE,Active
+0.051712,CC(O)C1C(=O)N2C(C(=O)O)=C(SC3CNC(C(=O)N(C)C)C3)C(C)C12,MEROPENEM,Active
+0.0522165,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.Cl,TETRACYCLINE HYDROCHLORIDE,Active
+0.052217,CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-],CETRIMONIUM BROMIDE,Active
+0.0526195,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1F,FLOXURIDINE,Active
+0.0528565,CCC(C)C1NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(C(C)CC)NC1=O.[Na+].[Na+].[Na+].[Na+].[Na+],COLISTIMETHATE SODIUM,Active
+0.053435,Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,CICLOPIROX OLAMINE,Active
+0.053733,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,CINOXACIN,Active
+0.0541995,O=[N+]([O-])c1ccc(O)c2ncccc12,NITROXOLINE,Active
+0.0543775,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],BENZALKONIUM CHLORIDE HYDRATE,Active
+0.0546065,C=C1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12.Cl,METHACYCLINE HYDROCHLORIDE,Active
+0.0546435,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,HEXACHLOROPHENE,Active
+0.0564305,CC(=O)O[Hg]c1ccccc1,PHENYLMERCURIC ACETATE,Active
+0.0564945,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(O)C3CC12.Cl,DEMECLOCYCLINE HYDROCHLORIDE,Active
+0.0572295,CC(=O)Oc1ccc(Cl)c2cccnc12,CHLOROACETOXYQUINOLINE,Active
+0.057815,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12.Cl,OXYTETRACYCLINE,Active
+0.059482,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12.Cl,CHLORTETRACYCLINE HYDROCHLORIDE,Active
+0.059537,CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21.Cl,DOXYCYCLINE HYDROCHLORIDE,Active
+0.0626285,CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O.Cl,MINOCYCLINE HYDROCHLORIDE,Active
+0.0643395,CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)CO)OC(CO)C(O)C1O.O=S(=O)(O)O,DIHYDROSTREPTOMYCIN SESQUISULFATE [5mM/10% aq DMSO],Active
+0.0688215,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC21.[Na+],CEFOXITIN SODIUM,Active
+0.071299,CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-],CETYLPYRIDINIUM CHLORIDE,Active
+0.0718695,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,RIFAPENTINE,Active
+0.0724155,CCC=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CSC12)c1csc(N)n1.Cl,CEFCAPENE PIVOXIL HYDROCHLORIDE,Active
+0.077718,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,RIFAMPIN,Active
+0.0925355,Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.O,TOSUFLOXACIN TOLUENESULFONATE HYDRATE,Active
+0.093284,CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-],CETALKONIUM CHLORIDE,Active
+0.0985545,O=S(=O)(O)O.Oc1cccc2cccnc12,OXYQUINOLINE HEMISULFATE,Active
+0.11102,Oc1c(Cl)cc(Cl)c2cccnc12,CHLOROXINE,Active
+0.20171,Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,BITHIONOL,Inactive
+0.206035,CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,CYCLOHEXIMIDE,Inactive
+0.261305,CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl,SERTRALINE HYDROCHLORIDE,Inactive
+0.263095,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],AZLOCILLIN SODIUM,Inactive
+0.2847,CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,ETHACRIDINE LACTATE,Inactive
+0.300125,O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,QUETIAPINE FUMARATE,Inactive
+0.302435,CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2,PRANOPROFEN,Inactive
+0.30302,Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,MEFLOQUINE HYDROCHLORIDE,Inactive
+0.30716,CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)C(C)C12,BIAPENEM,Inactive
+0.32751,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,PENTETIC ACID,Inactive
+0.358025,CC1(C)C(C(=O)O)N2C(=O)CC2S1(=O)=O,SULBACTAM,Inactive
+0.365255,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(OC=O)c3ccccc3)C2SC1.[Na+],CEFAMANDOLE NAFATE,Inactive
+0.37493,CS(=O)(=O)c1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1,THIAMPHENICOL,Inactive
+0.37936,Oc1c(Br)cc(Br)c2cccnc12,BROXYQUINOLINE,Inactive
+0.38201,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,HEXETIDINE,Inactive
+0.38518,COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O,KITASAMYCINS [A1 shown],Inactive
+0.387015,CN(C)N=Nc1[nH]cnc1C(N)=O,DACARBAZINE,Inactive
+0.394435,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,ERYTHROMYCIN,Inactive
+0.3982,Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,DICHLOROPHEN,Inactive
+0.41174,CCN(CC)C(=S)SSC(=S)N(CC)CC,DISULFIRAM,Inactive
+0.42104,Oc1ccc(Cl)c2cccnc12,CLOXYQUIN,Inactive
+0.433495,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O,DIRITHROMYCIN,Inactive
+0.433905,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,SULOCTIDIL,Inactive
+0.440705,COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,ARTEMETHER,Inactive
+0.46268,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,CARMOFUR,Inactive
+0.46333,Oc1c(I)cc(Cl)c2cccnc12,CLIOQUINOL,Inactive
+0.46338,Cc1cc(O)cc(C)c1Cl,CHLOROXYLENOL,Inactive
+0.47322,CCCCCCc1ccc(O)cc1O,HEXYLRESORCINOL,Inactive
+0.47461,O=c1[nH]cc(F)c(=O)[nH]1,FLUOROURACIL,Inactive
+0.476895,Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,PROFLAVINE HEMISULFATE,Inactive
+0.51846,CN(C)C(=S)SSC(=S)N(C)C,THIRAM,Inactive
+0.5204,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)C=CC(=O)O,PERHEXILINE MALEATE,Inactive
+0.525515,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,NITAZOXANIDE,Inactive
+0.5259,CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O,MUPIROCIN,Inactive
+0.528455,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,BROXALDINE,Inactive
+0.530845,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O,CARVEDILOL PHOSPHATE,Inactive
+0.5337,O=C(Nc1ccccc1)c1ccccc1O,SALICYLANILIDE,Inactive
+0.53576,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O,CLARITHROMYCIN,Inactive
+0.541395,Nc1nc(F)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,FLUDARABINE PHOSPHATE,Inactive
+0.54387,Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,CHLORMIDAZOLE,Inactive
+0.55068,COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)C2SC1,CEFPODOXIME PROXETIL,Inactive
+0.55934,CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1,CHLORAMPHENICOL PALMITATE,Inactive
+0.5648,O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl,OXYCLOZANIDE,Inactive
+0.565745,CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4,ARTEMISININ,Inactive
+0.57424,COC(=O)NN=Cc1c[n+]([O-])c2ccccc2[n+]1[O-],CARBADOX,Inactive
+0.5745,O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,FURALTADONE,Inactive
+0.575325,IC(I)I,IODOFORM,Inactive
+0.576135,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],PENICILLIN G POTASSIUM,Inactive
+0.579685,O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+],CHINIOFON,Inactive
+0.591485,CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12,ACRISORCIN,Inactive
+0.59763,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],PENICILLIN V POTASSIUM,Inactive
+0.60346,S=C=NCc1ccccc1,BENZYL ISOTHIOCYANATE,Inactive
+0.609115,O=c1[nH]cnc2c1ncn2C1CCC(CO)O1,DIDANOSINE,Inactive
+0.609345,Cl.N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1,ROBENIDINE HYDROCHLORIDE,Inactive
+0.613215,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O,ROXITHROMYCIN,Inactive
+0.627015,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],DEQUALINIUM CHLORIDE,Inactive
+0.63414,NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4cccs4)C3SC2)cc1,CEFALONIUM,Inactive
+0.637235,CC1CCC2C(C)C(O)OC3OC4(C)CCC1C32OO4,ARTENIMOL,Inactive
+0.639055,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-],SANGUINARIUM CHLORIDE,Inactive
+0.642465,CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,TAMOXIFEN CITRATE,Inactive
+0.64336,CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,METITEPINE MESYLATE,Inactive
+0.64365,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,CLOSANTEL,Inactive
+0.645315,NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1,RIBAVIRIN,Inactive
+0.646525,O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,TANNIC ACID,Inactive
+0.65067,O.O.O.O=C([O-])C1O[Sb]2OC(=O)C(O2)C(C(=O)[O-])O[Sb]2OC(=O)C1O2.[K+].[K+],ANTIMONY POTASSIUM TARTRATE TRIHYDRATE,Inactive
+0.658745,C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-],ACRIFLAVINIUM HYDROCHLORIDE,Inactive
+0.663605,O=C(O)C(S)C(S)C(=O)O,SUCCIMER,Inactive
+0.664805,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O.CCCCCCCCCCCCCCCCCC(=O)O,ERYTHROMYCIN STEARATE,Inactive
+0.665335,CCCCCCCCC=CCCCCCCCC(=O)[O-].[NH3+]CCO,ETHANOLAMINE OLEATE,Inactive
+0.6658,CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1,DIETHYLSTILBESTROL,Inactive
+0.67693,CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,STREPTOZOSIN,Inactive
+0.68552,CN(C)C(CCOc1cccc2ccccc12)c1ccccc1.Cl,DAPOXETINE HYDROCHLORIDE,Inactive
+0.696955,CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2,LOBARIC ACID,Inactive
+0.69733,COc1c2ccccc2nc2occc12,DICTAMNINE,Inactive
+0.699225,O=c1[nH]c2cc(Cl)ccc2o1,CHLORZOXAZONE,Inactive
+0.700995,CC(=O)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,LINEZOLID,Inactive
+0.70124,COC1C(OC(N)=O)C(O)C(Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+],NOVOBIOCIN SODIUM,Inactive
+0.708945,CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,ERYTHROMYCIN ETHYLSUCCINATE,Inactive
+0.70955,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl,TRIFLUPROMAZINE HYDROCHLORIDE,Inactive
+0.715915,CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,HEXESTROL,Inactive
+0.716155,Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2,HAEMATOXYLIN,Inactive
+0.71668,COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1.Cl.Cl,PUROMYCIN DIHYDROCHLORIDE,Inactive
+0.71961,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,DIFLUNISAL,Inactive
+0.719915,C=CC(C)(O)CCC1C(=C)CC(OC(C)=O)C2C(C)(C)CCCC12C,LARIXOL ACETATE,Inactive
+0.721755,CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,TOREMIFENE CITRATE,Inactive
+0.722265,CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C.O.O.O,DOCETAXEL,Inactive
+0.728045,CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21.Cl,CHLORPROTHIXENE HYDROCHLORIDE,Inactive
+0.729025,CCC(C(=O)[O-])C1CCC(C)C(C(C)C(O)C(C)C(=O)C(CC)C2OC3(C=CC(O)C4(CCC(C)(C5CCC(O)(CC)C(C)O5)O4)O3)C(C)CC2C)O1.[Na+],"SALINOMYCIN, SODIUM",Inactive
+0.73151,Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,LAMOTRIGINE,Inactive
+0.73676,CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1,HEDERAGENIN,Inactive
+0.73824,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,PENTACHLOROPHENOL,Inactive
+0.73928,Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1.O=[N+]([O-])O,ISOCONAZOLE NITRATE,Inactive
+0.73998,CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C,ESCIN,Inactive
+0.7415,CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)[O-])CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.[Na+],MONTELUKAST SODIUM,Inactive
+0.745215,CCC(C)C(=O)OC1CC2(C)C(c3ccoc3)OC(=O)CC23OC2(C)OC34C(OC(C)=O)C3(O)C(OC(=O)C5(C)OC5C)C5(C)CC3(O)C(C)(C5CC(=O)OC)C14O2,UTILIN,Inactive
+0.74555,COc1cc(O)cc(O)c1C(=O)c1ccccc1,ISOCOTOIN,Inactive
+0.745775,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],SODIUM TETRADECYL SULFATE,Inactive
+0.75269,Nc1nc2cc(Cl)ccc2o1,ZOXAZOLAMINE,Inactive
+0.75414,Cc1cc(O)ccc1Cl,CHLOROCRESOL,Inactive
+0.75751,CC1=CC(=O)C2=C(C)CCC3C(C)C(=O)OC3C12,LEUCODIN,Inactive
+0.75754,CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NCCCCC2NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC2=O)C(C)CC)CS1,BACITRACIN,Inactive
+0.75794,Cc1c2oc3c(C)ccc(C(=O)OC(C)C4NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)c3nc-2c(C(=O)OC(C)C2NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(C(C)C)NC2=O)c(N)c1=O,DACTINOMYCIN,Inactive
+0.758215,CC1=CC2C(C(C)C)CCC(C)(O)C2CC1,CADIN-4-EN-10-OL,Inactive
+0.759105,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,BEXAROTENE,Inactive
+0.76077,CC1=CC(=O)c2c(O)cccc2C1=O,PLUMBAGIN,Inactive
+0.761115,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl,ETHAVERINE HYDROCHLORIDE,Inactive
+0.76286,CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O,TRIPELENNAMINE CITRATE,Inactive
+0.764145,Oc1ccc2ccccc2c1,beta-NAPHTHOL,Inactive
+0.765325,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,NITRENDIPINE,Inactive
+0.768655,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,CHLORPROMAZINE HYDROCHLORIDE,Inactive
+0.7697,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2,ABAMECTIN (avermectin B1a shown),Inactive
+0.772455,COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1,RETUSIN,Inactive
+0.772965,C=C(C)C1CC=C(C(=O)O)CC1,PERILLIC ACID (-),Inactive
+0.77363,CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1,ARTHONIOIC ACID,Inactive
+0.77385,COc1ccccc1-c1cc(=O)c2c(OC)cccc2o1,"5,2'-DIMETHOXYFLAVONE",Inactive
+0.774075,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,CLOFOCTOL,Inactive
+0.779385,CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CC(OC(=O)CC)C2OC(=O)CC,ESTRIOL TRIPROPIONATE,Inactive
+0.779595,NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O.O=S(=O)(O)O,RIBOSTAMYCIN SULFATE,Inactive
+0.78103,O=C(O)CC[N+](=O)[O-],BOVINOCIDIN,Inactive
+0.78418,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,PYRIMETHAMINE,Inactive
+0.786255,CC1=CC(=O)c2ccccc2C1=O,MENADIONE,Inactive
+0.78634,CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1.O=S(=O)(O)O,GENTAMICIN SULFATE,Inactive
+0.78665,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,DOXYLAMINE SUCCINATE,Inactive
+0.79133,O=C1C=CC(=O)c2c(O)cccc21,JUGLONE,Inactive
+0.792665,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,AMOXAPINE,Inactive
+0.794655,COc1cc2c(cc1OC)C1C(=O)c3ccc4oc(C(C)C)cc4c3OC1CO2,ISOROTENONE,Inactive
+0.795055,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,CANDESARTAN CILEXTIL,Inactive
+0.795585,COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1,PTEROSTILBENE,Inactive
+0.79581,CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,LAPACHOL,Inactive
+0.796725,COc1cc(C)c(C=CC=CC=CC=CC(=O)O)c(C)c1C,ACITRETIN,Inactive
+0.79686,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O,ENILCONAZOLE SULFATE,Inactive
+0.79701,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)CSc3ccncc3)C2SC1.[Na+],CEPHAPIRIN SODIUM,Inactive
+0.797315,CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,RITONAVIR,Inactive
+0.79732,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,AMISULPRIDE,Inactive
+0.797455,CC1(C)C(=O)C=CC2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,DEACETYLGEDUNIN,Inactive
+0.799835,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,NAFTOPIDIL,Inactive
+0.80021,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CARVEDILOL,Inactive
+0.800635,C#CCCCCCCCCCCCC(O)CC(O)CO,AVOCADYNE,Inactive
+0.801255,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,EPIGALLOCATECHIN-3-MONOGALLATE,Inactive
+0.80158,O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1,"2,4-DINITROPHENOL",Inactive
+0.8023,COc1ccc(C=CC(=O)c2ccc(O)cc2O)cc1,"2',4'-DIHYDROXY-4-METHOXYCHALCONE",Inactive
+0.802425,CNc1ccccc1C(=O)O,N-METHYLANTHRANILIC ACID,Inactive
+0.804,CC(C)C(=O)Oc1ccc(CO)cc1C(CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)C=CC(=O)O,FESOTERODINE FUMARATE,Inactive
+0.804295,CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl,ETHOPROPAZINE HYDROCHLORIDE,Inactive
+0.804465,COc1c2ccoc2c(OC)c2oc(=O)ccc12,ISOPIMPINELLIN,Inactive
+0.80537,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,TRIAMTERENE,Inactive
+0.806475,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C,alpha-MANGOSTIN,Inactive
+0.80708,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,CHLOROTHALONIL,Inactive
+0.80759,Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,STAVUDINE,Inactive
+0.80824,N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl,DICLAZURIL,Inactive
+0.80947,CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,CLINDAMYCIN HYDROCHLORIDE,Inactive
+0.81145,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CELECOXIB,Inactive
+0.8116,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,ALPINETIN METHYL ETHER,Inactive
+0.81374,O=C(OCc1ccccc1)c1cccnc1,BENZYL NICOTINATE,Inactive
+0.81548,CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1.Cl,BENFLUOREX HYDROCHLORIDE,Inactive
+0.81555,COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C,METHOPRENE (S),Inactive
+0.81568,C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21.O,ENTECAVIR MONOHYDRATE,Inactive
+0.81703,C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C,ETHINYL ESTRADIOL,Inactive
+0.819255,COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O,SPIRAMYCIN,Inactive
+0.81989,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,TRICLABENDAZOLE,Inactive
+0.820225,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl,CYCLOBENZAPRINE HYDROCHLORIDE,Inactive
+0.82088,O=C(O)Cc1ccc(-c2ccccc2)cc1,FELBINAC,Inactive
+0.8212,COc1c(-c2coc3cc4c(cc3c2=O)CC(O)C(C)(C)O4)ccc2c1C=CC(C)(C)O2,MUNDULONE,Inactive
+0.822145,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,LITHOCHOLIC ACID,Inactive
+0.82224,S=c1[nH]cnc2nc[nH]c12,MERCAPTOPURINE,Inactive
+0.82298,O=C(C=Cc1ccccc1)c1ccc(O)cc1,4'-HYDROXYCHALCONE,Inactive
+0.82304,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,TOLVAPTAN,Inactive
+0.82357,CNCC(O)c1ccc(O)cc1,OXEDRINE,Inactive
+0.824765,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,FISETIN,Inactive
+0.825695,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,SULFAMERAZINE,Inactive
+0.827585,CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,ORLISTAT,Inactive
+0.828735,C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12,LUPEOL ACETATE,Inactive
+0.83124,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,FEBUXOSTAT,Inactive
+0.83165,N=C(N)NOCCC(N)C(=O)O,CANAVANINE,Inactive
+0.83173,CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,IOPANIC ACID,Inactive
+0.832055,c1ccc2c(c1)[nH]c1cnccc12,NORHARMAN,Inactive
+0.83209,CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,"BETAMETHASONE 17,21-DIPROPIONATE",Inactive
+0.83218,N=C1NC(=O)N2CC12,IMEXON,Inactive
+0.83225,CC(=O)Oc1ccc(C=Cc2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,TRIACETYLRESVERATROL,Inactive
+0.83238,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,BROMHEXINE HYDROCHLORIDE,Inactive
+0.83375,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,NOBILETIN,Inactive
+0.83381,O=C(O)CCCCCCCCCCCCC1C=CCC1,CHAULMOOGRIC ACID,Inactive
+0.83559,O=C(O)CCc1nc2ccccc2[nH]1,PROCODAZOLE,Inactive
+0.835605,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,ZOLPIDEM,Inactive
+0.836055,COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O,PRIMAQUINE PHOSPHATE,Inactive
+0.83703,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,PROMETHAZINE HYDROCHLORIDE,Inactive
+0.83715,O=C([O-])CCCc1ccccc1.[Na+],SODIUM PHENYLBUTYRATE,Inactive
+0.83938,CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C.O=S(=O)(O)O,PHYSOSTIGMINE SULFATE,Inactive
+0.83942,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2=O,"DEOXYSAPPANONE B 7,4'-DIMETHYL ETHER",Inactive
+0.839945,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,ELLAGIC ACID,Inactive
+0.840415,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl,PROPARACAINE HYDROCHLORIDE,Inactive
+0.84095,CC(=O)C1C(=O)C=C(C)OC1=O,DEHYDROACETIC ACID,Inactive
+0.841655,CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,BAZEDOXIFENE ACETATE,Inactive
+0.842675,O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl,SYMCLOSENE,Inactive
+0.842975,COc1c(O)cccc1O,2-METHOXYRESORCINOL,Inactive
+0.843745,CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,REPAGLINIDE,Inactive
+0.84396,CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C,5alpha-CHOLESTAN-3beta-OL-6-ONE,Inactive
+0.844185,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O,PROCHLORPERAZINE EDISYLATE,Inactive
+0.844415,Cl.Fc1ccc(C2CCNCC2COc2ccc3c(c2)OCO3)cc1,PAROXETINE HYDROCHLORIDE,Inactive
+0.844485,COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5C2)OCO4)CCN1C,CEPHARANTHINE,Inactive
+0.84639,COC1CC(OC2C(C)=CCC3CC(CC4(CCC(C)C(C5CCCCC5)O4)O3)OC(=O)C3C=C(C)C(=NO)C4OCC(=CC=CC2C)C34O)OC(C)C1O,SELAMECTIN,Inactive
+0.84644,COc1cc(C=CC(=O)O)ccc1O,FERULIC ACID,Inactive
+0.847215,CCC(c1cccc(O)c1)C(C)CN(C)C.Cl,TAPENTADOL HYDROCHLORIDE,Inactive
+0.8474,CC(C)NCC(O)c1cc(O)cc(O)c1,METAPROTERENOL,Inactive
+0.8475,C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O,AVOCADYNE ACETATE,Inactive
+0.84858,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],NISOLDIPINE,Inactive
+0.84859,CCCCCC1C(=O)OC(C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)OC(C)C1OC(=O)CC(C)C,ANTIMYCIN A (A1 shown),Inactive
+0.84896,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,TEMAZEPAM,Inactive
+0.849005,COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2,DURMILLONE,Inactive
+0.849105,COc1cccc(C(=O)c2ccccc2)c1,CEAROIN 3-METHYL ETHER,Inactive
+0.84944,Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,MITOTANE,Inactive
+0.849795,O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,GLAFENINE,Inactive
+0.84986,Cl.NC(Cc1ccc(O)cc1)C(=O)O,TYROSINE HYDROCHLORIDE,Inactive
+0.850465,CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,TOPIRAMATE,Inactive
+0.85073,COc1ccc2c(=O)ccoc2c1,7-METHOXYCHROMONE,Inactive
+0.850795,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12,PUERARIN,Inactive
+0.850925,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O.Cl,MOEXIPRIL HYDROCHLORIDE,Inactive
+0.851105,CCCCC(CC)COC(=O)c1ccccc1O,OCTISALATE,Inactive
+0.851635,COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1,"5,7,4'-TRIMETHOXYISOFLAVONE",Inactive
+0.851995,CC1=CC2C(CC1=O)C2(C)C,2-CARENE-3-ONE,Inactive
+0.852385,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,LORATADINE,Inactive
+0.85251,O=C(O)c1ccc2c(c1)OCO2,PIPERONYLIC ACID,Inactive
+0.85312,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+],THIOPENTAL SODIUM,Inactive
+0.85529,CC(O)(CC(=O)O)CC(=O)O,MEGLUTOL,Inactive
+0.85563,Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1,SULFAPHENAZOLE,Inactive
+0.85613,COc1ccc(C(C)C(=O)c2ccc(O)cc2O)cc1,ANGOLENSIN (R),Inactive
+0.85675,CCCCOc1ccc(CC(=O)NO)cc1,BUFEXAMAC,Inactive
+0.85746,CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-],VALETHAMATE BROMIDE,Inactive
+0.857705,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,RETINYL PALMITATE,Inactive
+0.857875,Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1,XANTHOPTERIN,Inactive
+0.858705,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,DEOXYCHOLIC ACID,Inactive
+0.85876,CC(=O)NC(Cc1ccccc1)C(=O)O,AFALANINE,Inactive
+0.858835,CC(C)c1cccc(C(C)C)c1O,PROPOFOL,Inactive
+0.859345,CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,PIPERONYL BUTOXIDE,Inactive
+0.859985,CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CLOMIPHENE CITRATE,Inactive
+0.86075,COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1,TEPOXALIN,Inactive
+0.86076,Nc1nc(S)c2nc[nH]c2n1,TIOGUANINE,Inactive
+0.860815,COc1ccc(C(C)=O)c(O)c1,PAEONOL,Inactive
+0.86132,CC(C)c1cc2c(c(O)c1O)C1(C(=O)O)CCCC(C)(C)C1CC2,CARNOSIC ACID,Inactive
+0.86148,O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+],ERYTHROSINE SODIUM,Inactive
+0.861715,COC1C(C(=O)O)OC(C)C(O)C1O.COC1OC(C(=O)O)C(O)C(O)C1O,"ALGINIC ACID [Mol Wt ~200,000; monomers shown]",Inactive
+0.861725,C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-],HEXAMETHONIUM BROMIDE,Inactive
+0.86197,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,"5alpha-ANDROSTAN-3,17-DIONE",Inactive
+0.86272,CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,PENBUTOLOL SULFATE,Inactive
+0.863305,CC(=O)c1c(O)cc(O)cc1O,PHLORACETOPHENONE,Inactive
+0.86334,CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O.Cl,CLINDAMYCIN PALMITATE HYDROCHLORIDE,Inactive
+0.863565,CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl,ANABASAMINE HYDROCHLORIDE,Inactive
+0.86359,CC(C)NCC(O)c1ccc2ccccc2c1.Cl,PRONETALOL HYDROCHLORIDE,Inactive
+0.863945,CC(O)C(=O)[O-].[Na+],SODIUM LACTATE,Inactive
+0.86416,CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC,TILMICOSIN,Inactive
+0.864645,CC12CCC3C(CCC45OC4C(O)=C(C#N)CC35C)C1CCC2O,TRILOSTANE,Inactive
+0.865765,CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,CHOLESTERYL ACETATE,Inactive
+0.86589,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,OXYPHENBUTAZONE,Inactive
+0.86589,CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1,SULFISOXAZOLE ACETYL,Inactive
+0.86624,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,FLUTAMIDE,Inactive
+0.8666,N=C(N)NS(=O)(=O)c1ccc(N)cc1,SULFAGUANIDINE,Inactive
+0.86666,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O,ATRANORIN,Inactive
+0.86705,Cl.NCCCC(N)(C(=O)O)C(F)F.O,EFLORNITHINE HYDROCHLORIDE HYDRATE,Inactive
+0.867185,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,PRASTERONE,Inactive
+0.867375,Cl.N=C(N)NCCCC(N)C(=O)O,ARGININE HYDROCHLORIDE,Inactive
+0.86832,COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,OXFENDAZOLE,Inactive
+0.86946,CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41,ACTEIN,Inactive
+0.86994,Cc1cc(O)cc(O)c1C(=O)O,ORSELLINIC ACID,Inactive
+0.870195,CC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O,CITRININ,Inactive
+0.870365,NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O,SITAGLIPTIN PHOSPHATE,Inactive
+0.871335,COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC,PICROPODOPHYLLIN,Inactive
+0.871945,NCC1(CC(=O)O)CCCCC1,GABAPENTIN,Inactive
+0.872515,CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,ESTRADIOL VALERATE,Inactive
+0.87263,CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,LINCOMYCIN HYDROCHLORIDE,Inactive
+0.873315,CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12,SCLAREOLIDE,Inactive
+0.87361,CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl,MAPROTILINE HYDROCHLORIDE,Inactive
+0.87384,CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2,IVERMECTIN,Inactive
+0.87408,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,TRICHLORFON,Inactive
+0.87426,Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,PIRENPERONE,Inactive
+0.874365,COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,SULFAMONOMETHOXINE,Inactive
+0.874715,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F,FIPRONIL,Inactive
+0.87512,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,CLOMIPRAMINE HYDROCHLORIDE,Inactive
+0.875125,Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,VILAZODONE HYDROCHLORIDE,Inactive
+0.87533,COc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2,CYCLOVERATRYLENE,Inactive
+0.87616,COC(=O)CC1C2(C)CC34OC5(C)OC6(C7C(=C(O)C(C)C)C(=O)OC(c8ccoc8)C7(C)C(OC(C)=O)C(OC(C)=O)C6(O5)C13C)C(OC(C)=O)C4(O)C2OC(=O)C(C)C,BUSSEIN,Inactive
+0.87651,Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(O)c1C(=O)O,LECANORIC ACID,Inactive
+0.876785,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,PHTHALYLSULFACETAMIDE,Inactive
+0.877135,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)c1ccco1)C(=O)CCl,MOMETASONE FUROATE,Inactive
+0.877435,NNCCc1ccccc1.O=S(=O)(O)O,PHENELZINE SULFATE,Inactive
+0.877595,Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1.Cl,TRIPROLIDINE HYDROCHLORIDE,Inactive
+0.877655,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,OXETHAZAINE,Inactive
+0.877725,Nc1ccccc1C(=O)CC(N)C(=O)O,KYNURENINE,Inactive
+0.877765,COc1cccc(-c2cc(=O)c3cc(OC)ccc3o2)c1,"6,3'-DIMETHOXYFLAVONE",Inactive
+0.87809,O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21,ALOIN,Inactive
+0.878335,CCC=CCC1=C(C)CCC1=O,JASMONE,Inactive
+0.878445,CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C,MEDROXYPROGESTERONE ACETATE,Inactive
+0.87856,CCC(C=CC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C,"STIGMASTA-4,22-DIEN-3-ONE",Inactive
+0.878755,CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12.O=C(O)C=CC(=O)O,TEGASEROD MALEATE,Inactive
+0.87932,COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1,FENBENDAZOLE,Inactive
+0.879575,O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1,EZETIMIBE,Inactive
+0.879715,CCNC(=O)C=Cc1cccc(Br)c1,CINROMIDE,Inactive
+0.87983,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,NICLOSAMIDE,Inactive
+0.880305,Cl.NCCc1c[nH]c2ccc(O)cc12,SEROTONIN HYDROCHLORIDE,Inactive
+0.880595,CCCCCCCCC(=O)O,PELARGONIC ACID,Inactive
+0.88066,CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,CARBIDOPA,Inactive
+0.88079,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,ALVERINE CITRATE,Inactive
+0.88096,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl,DYCLONINE HYDROCHLORIDE,Inactive
+0.88119,CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CSC12)c1ccco1,CEFUROXIME AXETIL,Inactive
+0.88165,O=C1c2c(O)cccc2Cc2cccc(O)c21,ANTHRALIN,Inactive
+0.882035,OCC(O)C(O)CO,ERYTHRITOL,Inactive
+0.882085,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O,ASCORBYL PALMITATE,Inactive
+0.88257,CCC1(C2=NCCN2)Cc2ccccc2O1.Cl,EFAROXAN HYDROCHLORIDE,Inactive
+0.88283,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CYPERMETHRIN,Inactive
+0.882925,CC=Cc1ccc2c(c1)OCO2,ISOSAFROLE,Inactive
+0.883015,CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl,TETRACAINE HYDROCHLORIDE,Inactive
+0.883045,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,BUTOCONAZOLE,Inactive
+0.88325,CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl,DROFENINE HYDROCHLORIDE,Inactive
+0.883485,CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,OSAJIN,Inactive
+0.88417,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,AMODIAQUINE DIHYDROCHLORIDE,Inactive
+0.884815,CC(=O)O.N=C(N)NN=Cc1c(Cl)cccc1Cl,GUANABENZ ACETATE,Inactive
+0.884965,CC(C)=CCCC(C)=CCO,NEROL,Inactive
+0.88504,Cn1c(=O)c2c(ncn2C)n(C)c1=O,CAFFEINE,Inactive
+0.885225,COC1=CC(=O)c2ccccc2C1=O,LAWSONE METHYL ETHER,Inactive
+0.885375,C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2],ZINC UNDECYLENATE [4mM],Inactive
+0.88559,COc1cc2occc2c2oc(=O)ccc12,ISOBERGAPTEN,Inactive
+0.88583,CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl,PROMAZINE HYDROCHLORIDE,Inactive
+0.88606,CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1,AURAPTENE,Inactive
+0.88631,c1ccc2c(c1)Nc1ccccc1S2,PHENOTHIAZINE,Inactive
+0.88656,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-],PALMATINE CHLORIDE,Inactive
+0.886755,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,FLUFENAMIC ACID,Inactive
+0.88683,C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C,MESTRANOL,Inactive
+0.887475,CCC1(CC)C(=O)NC(=O)NC1=O,BARBITAL,Inactive
+0.888275,CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,TERFENADINE,Inactive
+0.88869,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-],NEOSTIGMINE METHYLSULFATE,Inactive
+0.888765,O=C([O-])C(O)C(O)C(O)C(O)CO.[Na+],SODIUM GLUCONATE,Inactive
+0.88893,CC(=O)Nc1ccc(OC(C)=O)cc1,DIACETAMATE,Inactive
+0.889305,O.O=C(O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,YOHIMBIC ACID HYDRATE,Inactive
+0.89003,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,LETROZOLE,Inactive
+0.89034,COc1cc2c(c3ccccc13)OC(C)(C)C=C2,LAPACHENOL,Inactive
+0.89072,O=C1C=C(O)C(=O)c2ccccc21,LAWSONE,Inactive
+0.89073,O=C(O)c1cccc(C(=O)O)n1,DIPICOLINIC ACID,Inactive
+0.890735,CON=C1CC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)OC(C(C)=CC(C)C)C1C,MOXIDECTIN,Inactive
+0.891325,N#CCCN.O=C(O)C=CC(=O)O,3-AMINOPROPIONITRILE FUMARATE,Inactive
+0.892115,COC1C(=O)C2(C)C(OC)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C,CABAZITAXEL,Inactive
+0.892175,O=C(CCCCCCCC(=O)NCCO)NCCO,ADELMIDROL,Inactive
+0.892335,CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O.Cl,KASUGAMYCIN HYDROCHLORIDE,Inactive
+0.89236,CS(=O)(=O)OCCCCOS(C)(=O)=O,BUSULFAN,Inactive
+0.892985,COc1ccc2c(c1)OC1c3ccc(OC)cc3OCC21,HOMOPTEROCARPIN,Inactive
+0.89322,[N-]=[N+]=CC(=O)OCC(N)C(=O)O,AZASERINE,Inactive
+0.89339,CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,AMCINONIDE,Inactive
+0.89343,CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21.[Na+],PRAVASTATIN SODIUM,Inactive
+0.893735,CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CHOLESTAN-3-ONE,Inactive
+0.89384,O=C(Oc1cccc2cccnc12)c1ccccc1,BENZOXIQUINE,Inactive
+0.893865,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,DIMETHICONE (1%/ DMSO),Inactive
+0.893925,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,SULFISOXAZOLE,Inactive
+0.89417,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,GOSSYPIN,Inactive
+0.894225,CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,ENOXOLONE,Inactive
+0.894285,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,GLYBURIDE,Inactive
+0.894475,O=C(O)C=CC=Cc1ccccc1,JUAREZIC ACID,Inactive
+0.89464,Nc1nc(N)nc(NC2CC2)n1,CYROMAZINE,Inactive
+0.895,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl,TERAZOSIN HYDROCHLORIDE,Inactive
+0.895105,CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C32OO4,ARTESUNATE,Inactive
+0.89544,CC(C)NCC(O)c1ccc(O)c(O)c1.Cl,ISOPROTERENOL HYDROCHLORIDE,Inactive
+0.895535,CN(C)CCS,CAPTAMINE,Inactive
+0.895725,CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C,GRAMICIDIN (gramicidin A shown),Inactive
+0.89596,COc1c(O)cc(O)cc1O,IRETOL,Inactive
+0.895965,Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O,CHRYSAROBIN,Inactive
+0.896155,Cc1cccc(C)c1OCC(C)N.Cl,MEXILETINE HYDROCHLORIDE,Inactive
+0.89621,CCC1(c2ccccc2)C(=O)NCNC1=O,PRIMIDONE,Inactive
+0.896395,CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)c6ccccc6)C(C)(C)C5CCC43C)C2C1,beta-AMYRIN BENZOATE,Inactive
+0.896595,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,PENTAMIDINE ISETHIONATE,Inactive
+0.896595,COc1ccc2c(c1)[nH]c1c(C)nccc12,HARMINE,Inactive
+0.896785,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,PHENOLPHTHALEIN,Inactive
+0.897105,COc1ccc(C=CC(=O)c2cc(O)ccc2O)cc1,"2',5'-DIHYDROXY-4-METHOXYCHALCONE",Inactive
+0.897245,CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,CLOFAZIMINE,Inactive
+0.897485,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,PHENOTHRIN,Inactive
+0.897515,CC(=O)CCc1ccc(OC(C)=O)cc1,CUELURE,Inactive
+0.898115,C=CC(C)(O)CCC=C(C)CCC=C(C)C,NEROLIDOL,Inactive
+0.899695,CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O,PENTAGASTRIN,Inactive
+0.89979,CN(CC=Cc1ccccc1)Cc1cccc2ccccc12.Cl,NAFTIFINE HYDROCHLORIDE,Inactive
+0.89981,O=C(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,LACTOBIONIC ACID,Inactive
+0.900245,Cc1cc(=O)oc2cc(O)ccc12,HYMECHROME,Inactive
+0.900265,Cc1nccc2c1[nH]c1cc(O)ccc12,HARMOL,Inactive
+0.90081,CC(=O)O[PbH2]OC(C)=O,LEAD ACETATE,Inactive
+0.901995,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,SULFAMETHIZOLE,Inactive
+0.902045,COc1ccc2c(=O)cc(-c3ccccc3)oc2c1OC,"7,8-DIMETHOXYFLAVONE",Inactive
+0.902335,CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC,OMEGA-3-ACID ESTERS (EPA shown),Inactive
+0.9027,C=CCc1ccc(OC)cc1,ESTRAGOLE,Inactive
+0.903155,O=c1c(O)cccc2cc(O)c(O)c(O)c12,PURPUROGALLIN,Inactive
+0.90321,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,AMLEXANOX,Inactive
+0.903255,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,ALBUTEROL,Inactive
+0.90347,Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1,CYTARABINE,Inactive
+0.903685,C=CCc1ccccc1OCC(O)CNC(C)C.Cl,ALPRENOLOL HYDROCHLORIDE,Inactive
+0.903785,COC(=O)c1c(C)cc(OC)cc1O,SPARASSOL,Inactive
+0.903915,CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C,FUCOSTANOL,Inactive
+0.90399,O=C(C=Cc1ccc(O)cc1)c1ccccc1O,"2',4-DIHYDROXYCHALCONE",Inactive
+0.904095,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,EBASTINE,Inactive
+0.904175,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,PROGESTERONE,Inactive
+0.90431,O=C(Nc1ccccc1)Nc1ccccc1,DIPHENYLUREA,Inactive
+0.90447,COc1ccc(-c2coc3cc(OC)ccc3c2=O)c(O)c1,"7,4'-DIMETHOXY-2'-HYDROXY-ISOFLAVONE",Inactive
+0.90483,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],ACESULFAME POTASSIUM,Inactive
+0.904985,O=P1(NCCCl)OCCCN1CCCl,IFOSFAMIDE,Inactive
+0.905025,COc1c2occc2cc2ccc(=O)oc12,METHOXSALEN,Inactive
+0.905345,CCC(CO)NC(=O)C1C=C2c3cccc4c3c(cn4C)CC2N(C)C1.O=C(O)C=CC(=O)O,METHYSERGIDE MALEATE,Inactive
+0.905435,Cl.NCCCC(=O)O,gamma-AMINOBUTYRIC ACID HYDROCHLORIDE,Inactive
+0.905885,CC(S)C(=O)NCC(=O)O,TIOPRONIN,Inactive
+0.905945,CCOc1ccc(Cc2cc(C3OC(CO)C(O)C(O)C3O)ccc2Cl)cc1,DAPAGLIFLOZIN,Inactive
+0.90645,COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C6CCCCC6)O5)O4)OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1O,DORAMECTIN,Inactive
+0.906565,COc1ccc(CC(=O)c2ccc(O)cc2O)cc1,ONONETIN,Inactive
+0.906695,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,TELMISARTAN,Inactive
+0.907025,CNCCC(Oc1cccc2ccccc12)c1cccs1.Cl,DULOXETINE HYDROCHLORIDE,Inactive
+0.9072,COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC,TRANILAST,Inactive
+0.907295,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,IMIPRAMINE HYDROCHLORIDE,Inactive
+0.907555,CC1(O)CCOC(=O)C1,MEVALONIC ACID LACTONE,Inactive
+0.908065,CC1(C)C2CCC1(C)C(O)C2,BORNEOL,Inactive
+0.90809,COC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O,LAPACHOL METHYL ETHER,Inactive
+0.909215,Cl.N=C(N)NN,PIMAGEDINE HYDROCHLORIDE,Inactive
+0.909395,COc1cc(C=CC(=O)N2CCCCCCC2)cc(OC)c1OC,CINOCTRAMIDE,Inactive
+0.910455,CC(C)=CC1C(C(=O)O)C1(C)C,CHRYSANTHEMIC ACID,Inactive
+0.910625,COc1cc2c(cc1OC)C(=O)OC2,METAMECONINE,Inactive
+0.910635,CCOc1cc(C=O)ccc1O,ETHYL VANILLIN,Inactive
+0.910695,Cl.Nc1c2c(nc3ccccc13)CCCC2,TACRINE HYDROCHLORIDE,Inactive
+0.910965,COc1cc(OC)c(OC)cc1C=O,ASARYLALDEHYDE,Inactive
+0.91193,O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg]O)c([O-])c(Br)cc12.[Na+].[Na+],MERBROMIN,Inactive
+0.911965,O=C(O)C1C(=CCO)OC2CC(=O)N21.[LiH],CLAVULANATE LITHIUM,Inactive
+0.91201,C=CC1CN2CCC1CC2C(OC(=O)OCC)c1ccnc2ccc(OC)cc12,QUININE ETHYL CARBONATE,Inactive
+0.91205,CC(=O)NC(CC(C)C)C(=O)O,ACETYL-L-LEUCINE,Inactive
+0.912425,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],NIFEDIPINE,Inactive
+0.91244,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,PREDNISOLONE HEMISUCCINATE,Inactive
+0.91247,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,DECOQUINATE [5mM],Inactive
+0.91267,CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C,HECOGENIN,Inactive
+0.91272,CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O,FENOFIBRIC ACID,Inactive
+0.912835,CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,BETAMETHASONE ACETATE,Inactive
+0.91288,CN(CCCl)CCCl,MECHLORETHAMINE,Inactive
+0.91296,OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,PENFLURIDOL,Inactive
+0.91331,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,PERPHENAZINE,Inactive
+0.914235,CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1,ASTRAGALOSIDE IV,Inactive
+0.914475,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,KETOROLAC TROMETHAMINE,Inactive
+0.91449,CN1C(=O)OC(C)(C)C1=O,TRIMETHADIONE,Inactive
+0.91453,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],HOMIDIUM BROMIDE,Inactive
+0.91458,C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,BETULIN,Inactive
+0.91506,CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O,INDINAVIR SULFATE,Inactive
+0.91518,CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl,AZELASTINE HYDROCHLORIDE,Inactive
+0.91528,OCCSCCO,THIODIGLYCOL,Inactive
+0.915355,NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O,PAROMOMYCIN SULFATE,Inactive
+0.91553,C#CC1(OC(C)=O)CCC2C3CCC4=CC(=NO)CCC4C3CCC21CC,NORGESTIMATE,Inactive
+0.915715,CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,GLYCOCHOLIC ACID,Inactive
+0.91606,O=C(O)c1ccc[n+]([O-])c1,OXINIACIC ACID,Inactive
+0.916075,COc1c(-c2ccccc2)oc2c(ccc3ccoc32)c1=O,KARANJIN,Inactive
+0.916335,COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,ATAZANAVIR SULFATE,Inactive
+0.916495,CC(C)=CCCC(C)=CCCC(C)=CCO,"trans,trans-FARNESOL",Inactive
+0.916695,O=C(c1cccnc1)N1CCOCC1,NICOPHOLINE,Inactive
+0.916725,O=C(C=Cc1ccccc1)c1ccc(O)cc1O,"2',4'-DIHYDROXYCHALCONE",Inactive
+0.917155,CCOC(=O)c1c(C)cc(OC)cc1O,ETHYL EVERNINATE,Inactive
+0.91724,CC(C)NCC(O)COc1cccc2[nH]ccc12,PINDOLOL,Inactive
+0.917325,CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-],AMPROLIUM,Inactive
+0.91738,NC(CSCSCC(N)C(=O)O)C(=O)O,DJENKOLIC ACID,Inactive
+0.917425,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,TIOCONAZOLE,Inactive
+0.91772,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,ANAGRELIDE HYDROCHLORIDE,Inactive
+0.91795,CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,EUPHOL,Inactive
+0.918475,COc1cc(O)c2c(=O)cc(C)oc2c1CC=C(C)C,HETEROPEUCENIN METHYL ETHER,Inactive
+0.918665,CCCCOC(=O)CCCCCCC(=O)OCCCC,DIBUTYL SUBERATE,Inactive
+0.919045,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,INDOMETHACIN,Inactive
+0.91915,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,BRIVUDINE,Inactive
+0.91921,OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O,CHLORALOSE,Inactive
+0.919235,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,AMIODARONE HYDROCHLORIDE,Inactive
+0.91971,Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,CLEMIZOLE HYDROCHLORIDE,Inactive
+0.92017,C=C1CCC(=O)C(C)CCC2C1CC2(C)C,DIHYDROCARYOPHYLLEN-5-ONE,Inactive
+0.921075,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)C=CC(=O)O,ROSIGLITAZONE MALEATE,Inactive
+0.92112,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,HARMALINE,Inactive
+0.92166,CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1.O=C(O)C(O)C(O)C(=O)O,RIVASTIGMINE TARTRATE,Inactive
+0.921945,CC#CCN1C(N2CCCC(N)C2)=NC2C1C(=O)N(Cc1nc(C)c3ccccc3n1)C(=O)N2C,LINAGLIPTIN,Inactive
+0.922095,CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C,ASIATICOSIDE,Inactive
+0.92251,CCC(C)C(N)C(=O)O,ISOLEUCINE (L),Inactive
+0.922725,CC(=O)Nc1ncc([N+](=O)[O-])s1,NITHIAMIDE,Inactive
+0.923205,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,EMODIN,Inactive
+0.923955,NS(=O)(=O)c1ccc(C(=O)O)cc1,CARZENIDE,Inactive
+0.92409,CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C,SARSASAPOGENIN,Inactive
+0.924155,C[N+]1(C)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2.[Br-],HOMATROPINE METHYLBROMIDE,Inactive
+0.92479,COc1cc(OC)c2c(c1Cl)OC1(C2=O)C(O)=CC(=O)CC1C,GRISEOFULVIC ACID,Inactive
+0.924855,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(O)C(O)C1C(C)(C)CCC(O)C12C,DESACETYLCOLFORSIN,Inactive
+0.92525,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,NIMESULIDE,Inactive
+0.92529,CC(=O)OC1CCC2(C)C(CCC3(C)C2C2OC2C24OC(=O)C5(CCC(C)C(C)C52)CCC34C)C1(C)C,11(12)-EPOXY-URSOLOLACTONE ACETATE,Inactive
+0.92555,NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,NITROMIDE,Inactive
+0.925955,CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C,PICROTIN,Inactive
+0.926235,COc1ccc(O)c(C(C)(C)C)c1,BUTYLATED HYDROXYANISOLE,Inactive
+0.926305,CCOc1ccccc1C(N)=O,ETHENZAMIDE,Inactive
+0.92667,CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CCC32)C1,3-beta-ACETOXYALLOPREG-16-EN-20-ONE,Inactive
+0.92669,CC(=O)Oc1ccc(O)cc1,4-ACETOXYPHENOL,Inactive
+0.92671,CNCc1ccccc1.Cl,N-METHYLBENZYLAMINE HYDROCHLORIDE,Inactive
+0.926725,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl,SOTALOL HYDROCHLORIDE,Inactive
+0.92755,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,KETANSERIN,Inactive
+0.928035,Cl.Cl.NCCSSCCN,CYSTAMINE DIHYDROCHLORIDE,Inactive
+0.92806,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,BROMPERIDOL,Inactive
+0.92816,O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,PHENOLSULFONPHTHALEIN,Inactive
+0.92835,COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,MYCOPHENOLATE MOFETIL,Inactive
+0.928455,CC12C(=O)OC(=O)C1(C)C1CCC2O1,CANTHARIDIN,Inactive
+0.92879,CC1=NN(c2ccccc2)C(=O)C1,EDARAVONE,Inactive
+0.928905,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl,PROPAFENONE HYDROCHLORIDE,Inactive
+0.929055,NC(Cc1cc(I)c(O)c(I)c1)C(=O)O.O.O,DIIODOTYROSINE DIHYDRATE,Inactive
+0.92909,CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,LIMONIN,Inactive
+0.929205,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,OLANZAPINE,Inactive
+0.929295,COc1ccccc1O,GUAIACOL,Inactive
+0.9293,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,MELIBIOSE,Inactive
+0.92938,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,AMLODIPINE BESYLATE,Inactive
+0.929655,C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,BETULINIC ACID,Inactive
+0.92967,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,BEPHENIUM HYDROXYNAPTHOATE,Inactive
+0.9298,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1OC,SINENSETIN,Inactive
+0.929845,CC1CCC(C(C)C)C(=O)C1,MENTHONE,Inactive
+0.930015,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,GEFITINIB,Inactive
+0.93006,COc1ccc(-c2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1,BIOCHANIN A DIACETATE,Inactive
+0.930105,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,DEHYDROVARIABILIN,Inactive
+0.930505,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,MEBHYDROLIN,Inactive
+0.93061,CCC1(c2ccccc2)NC(=O)N(C)C1=O,MEPHENYTOIN,Inactive
+0.93107,Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,PROCYCLIDINE HYDROCHLORIDE,Inactive
+0.93108,O=C(C=Cc1ccc(O)cc1)c1ccccc1,4-HYDROXYCHALCONE,Inactive
+0.931365,OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)C(O)C(O)C1O,PICEID,Inactive
+0.93138,O=C(OCc1ccccc1)c1ccccc1,BENZYL BENZOATE,Inactive
+0.93158,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,"QUERCETIN 5,7,3',4'-TETRAMETHYL ETHER",Inactive
+0.93168,NS(=O)(=O)Cc1noc2ccccc12,ZONISAMIDE,Inactive
+0.931725,COc1ccc(C(=O)c2ccccc2O)c(O)c1,DIOXYBENZONE,Inactive
+0.931825,Cl.Cl.Cl.NCCCCNCCCN,SPERMIDINE TRIHYDROCHLORIDE,Inactive
+0.93188,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,VINBLASTINE SULFATE,Inactive
+0.93197,C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)C,CHOLECALCIFEROL,Inactive
+0.93208,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl,URAPIDIL HYDROCHLORIDE,Inactive
+0.93218,C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC,TACROLIMUS,Inactive
+0.93258,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-],GLYCOPYRROLATE,Inactive
+0.932595,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,BETAMETHASONE,Inactive
+0.9327,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,TANGERITIN,Inactive
+0.93303,CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,DIOSGENIN,Inactive
+0.933215,NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O,CARNOSINE,Inactive
+0.93336,CC(C)Cc1ccc(C(C)C(=O)O)cc1,DEXIBUPROFEN,Inactive
+0.933365,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,CLOPERASTINE HYDROCHLORIDE,Inactive
+0.93345,CC1CCC(C(C)C)C(O)C1,LEVOMENTHOL,Inactive
+0.933535,C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1,EUPARIN,Inactive
+0.9336,CCCCCCCCCCCCCCCC(=O)OCC(O)CO,1-MONOPALMITIN,Inactive
+0.93375,COc1ccc(C(=O)c2ccccc2)c(O)c1,OXYBENZONE,Inactive
+0.93377,C[n+]1cccc(C(=O)[O-])c1,TRIGONELLINE,Inactive
+0.933895,O=C([O-])Cc1ccccc1.[Na+],SODIUM PHENYLACETATE,Inactive
+0.93415,CCNC(=O)CCC(N)C(=O)[O-].[K+],THEANINE POTASSIUM,Inactive
+0.934205,CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C,MIFEPRISTONE,Inactive
+0.934325,CCCNC1CCc2nc(N)sc2C1.Cl.Cl,PRAMIPEXOLE DIHYDROCHLORIDE,Inactive
+0.934465,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.O.[Cl-],METHYLENE BLUE,Inactive
+0.934475,Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1,DIPERODON HYDROCHLORIDE,Inactive
+0.934785,COC(=O)c1c(OC)cc2c(c1C)Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,GANGALEOIDIN,Inactive
+0.934815,CC(=O)C1CCC2C3CC(C)C4=CC(=O)CCC4(C)C3C(O)CC12C,MEDRYSONE,Inactive
+0.935235,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O.O=S(=O)(O)O,KANAMYCIN A SULFATE,Inactive
+0.935495,Nc1nc(=O)[nH]cc1F,FLUCYTOSINE,Inactive
+0.935695,COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2,GALANTAMINE,Inactive
+0.93618,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3O)c2c1)c1cc(O)c(O)c(O)c1,THEAFLAVIN MONOGALLATES,Inactive
+0.93645,Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2,IDAZOXAN HYDROCHLORIDE,Inactive
+0.93654,CC(=O)Oc1ccccc1C(=O)Nc1ccccc1,ACETYLSALICYLANILIDE,Inactive
+0.936735,C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,PROPARGITE,Inactive
+0.93696,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,LAPATINIB,Inactive
+0.93704,CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,TEPRENONE,Inactive
+0.93724,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,QUERCETIN,Inactive
+0.93728,CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O,SANTONIN,Inactive
+0.937585,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,MOLSIDOMINE,Inactive
+0.937835,Cl.Cl.N=C(N)N,GUANIDINE HYDROCHLORIDE,Inactive
+0.937985,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,PIROXICAM,Inactive
+0.93819,O=c1oc2cc(O)ccc2s1,TIOXOLONE,Inactive
+0.9382,CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.O=C(O)C(=O)O,NAFRONYL OXALATE,Inactive
+0.93822,O=C(OOC(=O)c1ccccc1)c1ccccc1,BENZOYL PEROXIDE,Inactive
+0.93835,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,EDITOL,Inactive
+0.9386,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,PIMOZIDE,Inactive
+0.93918,O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,DICUMAROL,Inactive
+0.93923,COc1ccccc1OCC(O)COC(N)=O,METHOCARBAMOL,Inactive
+0.939315,Cc1c[nH]c2ccccc12,SKATOLE,Inactive
+0.93939,Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1,FLUNARIZINE HYDROCHLORIDE,Inactive
+0.9396,O=C1c2ccccc2C(=O)C1c1ccccc1,PHENINDIONE,Inactive
+0.9397,COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,SILIBININ,Inactive
+0.939705,COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3,TETRANDRINE,Inactive
+0.940135,O=C(O)C1CSCN1,TIMONACIC,Inactive
+0.94033,CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl,MECLOFENOXATE HYDROCHLORIDE,Inactive
+0.94053,COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O,UBIDECARENONE [5mM],Inactive
+0.940535,COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13,NICERGOLINE,Inactive
+0.94056,COc1cc(OC)c(C(C)=O)c(O)c1C,METHYLXANTHOXYLIN,Inactive
+0.940835,Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,BENSERAZIDE HYDROCHLORIDE,Inactive
+0.941185,CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+],IBANDRONATE SODIUM,Inactive
+0.941255,COc1cc(OC)c2c(OC)c(-c3ccc4c(c3)OCO4)c(=O)oc2c1,DERRUSNIN,Inactive
+0.94145,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,SCOPOLAMINE HYDROBROMIDE,Inactive
+0.94167,O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,BAICALEIN,Inactive
+0.94184,CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O,AZADIRACHTIN,Inactive
+0.941975,CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,TRIAMCINOLONE DIACETATE,Inactive
+0.942055,CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,BETAMETHASONE VALERATE,Inactive
+0.942075,CC(C)C(N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Cl,VALACYCLOVIR HYDROCHLORIDE,Inactive
+0.94211,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,MINAPRINE HYDROCHLORIDE,Inactive
+0.94277,NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1,PASINIAZID,Inactive
+0.94315,Nc1nc2ccc(OC(F)(F)F)cc2s1,RILUZOLE,Inactive
+0.94322,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1.O,METHOTREXATE HYDRATE,Inactive
+0.943275,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1,GARDENIN B,Inactive
+0.943355,COC1C(O)C(C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O,EMICYMARIN,Inactive
+0.943395,CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl,PROADIFEN HYDROCHLORIDE,Inactive
+0.94357,COc1ccc(C(=O)CCC(=O)O)c2ccccc12,MENBUTONE,Inactive
+0.944435,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,PROGLUMIDE,Inactive
+0.944515,COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,NALED,Inactive
+0.944595,CCCCCCOc1ccccc1C(N)=O,EXALAMIDE,Inactive
+0.94476,CC(C(O)c1ccccc1)N(C)C,"N-METHYL (-)EPHEDRINE [1R,2S]",Inactive
+0.94498,O=C(O)c1cc(O)c2cccc(O)c2n1,XANTHURENIC ACID,Inactive
+0.945025,O=c1cc(-c2ccccc2)oc2cc(O)ccc12,7-HYDROXYFLAVONE,Inactive
+0.945125,CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,PHYTONADIONE [5mM],Inactive
+0.945165,Nc1nc2nc[nH]c2c(=S)[nH]1,THIOGUANINE,Inactive
+0.945235,O=C(C=Cc1ccccc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O,"2',4'-DIHYDROXYCHALCONE 4'-GLUCOSIDE",Inactive
+0.94558,Oc1ccc(OCc2ccccc2)cc1,MONOBENZONE,Inactive
+0.94569,CC1(C)CC2C(=O)CCC3OC3(C)CCC21,KOBUSONE,Inactive
+0.946375,O=C(O)c1ccccc1,BENZOIC ACID,Inactive
+0.94648,CC(=O)c1cc2c(cc1O)OC(C)(C)C=C2,EUPATORIOCHROMENE,Inactive
+0.9466,CCC(C(C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O,POSACONAZOLE,Inactive
+0.94674,NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1,DIBEKACIN,Inactive
+0.94692,CC(C)C12OC1C1OC13C1(C)CCC4=C(COC4=O)C1CC1OC13C2O,TRIPTOLIDE,Inactive
+0.94697,C=CCNC(N)=S,ALLYLTHIOUREA,Inactive
+0.9478,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O,NORSTICTIC ACID,Inactive
+0.94781,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,DEFEROXAMINE MESYLATE,Inactive
+0.947825,Nc1ccn(C2CSC(CO)O2)c(=O)n1,LAMIVUDINE,Inactive
+0.94793,CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,OCTINOXATE,Inactive
+0.94825,CC(C)C(N)C(=O)O,VALINE (L),Inactive
+0.948285,CC(C)(C)N.CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)OCC,PERINDOPRIL ERBUMINE,Inactive
+0.94853,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2,AVERMECTIN A1a,Inactive
+0.948555,CC=C1C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2,HUPERZINE A,Inactive
+0.94903,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,ECONAZOLE NITRATE,Inactive
+0.94905,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.O=C(O)C(O)C(O)C(O)C(O)CO,QUINIDINE GLUCONATE,Inactive
+0.94917,CNC1CC(N)C(O)C(OC2OC(CO)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC3C2O)C1O,HYGROMYCIN B,Inactive
+0.94918,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,ETHYLENEDIAMINE TETRACETIC ACID,Inactive
+0.94925,COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1.O=C(O)C=CC(=O)O,FLUVOXAMINE MALEATE,Inactive
+0.94987,S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1,SULBENTINE,Inactive
+0.9499,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl,MEBEVERINE HYDROCHLORIDE,Inactive
+0.94992,CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,TESTOSTERONE PROPIONATE,Inactive
+0.949955,CCOC(=O)C1=CC(OC(CC)CC)C(NC(C)=O)C(N)C1.O=P(O)(O)O,OSELTAMIVIR PHOSPHATE,Inactive
+0.950155,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,ISOTRETINON,Inactive
+0.95042,CC(=O)Nc1ccccc1,ACETANILIDE,Inactive
+0.95057,CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl,MOXISYLYTE HYDROCHLORIDE,Inactive
+0.95063,COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1,VULPINIC ACID,Inactive
+0.950665,C[N+]1([O-])C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,ATROPINE OXIDE,Inactive
+0.95083,COC(=O)C1(C)CCCC2(C)c3ccc(O)c(C(C)C)c3CCC12,"TOTAROL-19-CARBOXYLIC ACID, METHYL ESTER",Inactive
+0.95115,CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12,ZOLMITRIPTAN,Inactive
+0.951165,CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,PROXYPHYLLINE,Inactive
+0.951225,C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12,CINCHONIDINE,Inactive
+0.95125,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],LIOTHYRONINE (L- isomer) SODIUM,Inactive
+0.95132,S=P(N1CC1)(N1CC1)N1CC1,THIOTEPA,Inactive
+0.95137,O=C1C(O)=C(O)C(=O)C(O)=C1O,TETROQUINONE,Inactive
+0.951675,Cl.Clc1ccc2nsnc2c1NC1=NCCN1,TIZANIDINE HYDROCHLORIDE,Inactive
+0.951995,O=C1CCO1,PROPIOLACTONE,Inactive
+0.952495,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(=O)[O-].[K+],"CANRENOIC ACID, POTASSIUM SALT",Inactive
+0.95254,O=C(O)C=Cc1ccc(Cn2ccnc2)cc1,OZAGREL HYDROCHLORIDE,Inactive
+0.952555,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,BIFONAZOLE,Inactive
+0.95268,COc1cc(C(C)=O)cc(OC)c1O,ACETOSYRINGONE,Inactive
+0.95287,CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1,DIENESTROL,Inactive
+0.95289,C=C(C)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C,PICROTOXININ,Inactive
+0.952925,CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O,ERYTHROMYCIN ESTOLATE,Inactive
+0.953145,COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,SULFAMETHOXYPYRIDAZINE,Inactive
+0.9532,C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C,SCLAREOL,Inactive
+0.953325,NC(=O)CCC(N)C(=O)O,GLUTAMINE (D),Inactive
+0.953395,CC(C)Nc1ncccn1,ISAXONINE,Inactive
+0.95351,CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O,RHETSININE,Inactive
+0.953595,CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC,NITENPYRAM,Inactive
+0.953645,C=CCCCCCCCCC(=O)O,UNDECYLENIC ACID,Inactive
+0.953855,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,ACEMETACIN,Inactive
+0.954095,CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,KETOCONAZOLE,Inactive
+0.95418,CCOC(=O)c1ccc(O)cc1,ETHYL PARABEN,Inactive
+0.954315,O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12,"7,8-DIHYDROXYFLAVONE",Inactive
+0.954475,Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.[Na+],MECLOFENAMATE SODIUM,Inactive
+0.9547,CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl,BENOXINATE HYDROCHLORIDE,Inactive
+0.95479,CCN(CC)C(=O)c1cccnc1,NIKETHAMIDE,Inactive
+0.95502,CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,COUMOPHOS,Inactive
+0.955055,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,DERACOXIB,Inactive
+0.955095,CC(=O)C12OC1(C)CC1C3CC=C4CC(O)CCC4(C)C3CCC12C,16beta-METHYL-16(17)-EPOXY-5-PREGNENOLONE,Inactive
+0.95515,Nc1ccc([As](=O)(O)O)cc1,ARSANILIC ACID,Inactive
+0.95521,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,LEFLUNOMIDE,Inactive
+0.95583,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F,TRIFLURIDINE,Inactive
+0.95594,CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3cccnc3)=CCC12,ABIRATERONE,Inactive
+0.956405,NC(=O)CC(N)C(=O)O.O,ASPARAGINE (L) HYDRATE,Inactive
+0.957265,CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,SOLASODINE,Inactive
+0.957275,CC(N)C(O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O,METARAMINOL BITARTRATE,Inactive
+0.95751,CC(=O)Oc1cccc(C)c1,meta-CRESYL ACETATE,Inactive
+0.957525,CC(C)=CCc1c(O)cc2oc(C)cc(=O)c2c1O,PEUCENIN,Inactive
+0.95754,CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,FENOLDOPAM MESYLATE,Inactive
+0.957625,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(CO)c2O)c(C)c1O,DIHYDROATRANORIN,Inactive
+0.95771,OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,SALIDROSIDE,Inactive
+0.95817,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,ANISINDIONE,Inactive
+0.95818,O=C1CCC(C(=O)O)N1,PIDOLIC ACID,Inactive
+0.958465,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,7-DEACETOXY-7-OXOKHIVORIN,Inactive
+0.958605,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl,PAPAVERINE HYDROCHLORIDE,Inactive
+0.958775,CC1(O)CCC(C(C)(C)O)CC1.O,TERPENE HYDRATE,Inactive
+0.95897,COC(=O)CCc1ccc(OC)cc1O,METHYL-2-HYDROXY-PHENYLPROPRIONATE,Inactive
+0.958985,O=C(O)c1cc(O)ccc1O,GENTISIC ACID,Inactive
+0.959825,CC(=O)Oc1c(C)cccc1C(=O)O,CRESOPIRINE,Inactive
+0.9599,COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,RHAMNETIN,Inactive
+0.96011,Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,FENSPIRIDE HYDROCHLORIDE,Inactive
+0.960325,CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC2C1OC(=O)CCC.[Na+],BUCLADESINE SODIUM,Inactive
+0.96035,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],PYRIDOSTIGMINE BROMIDE,Inactive
+0.96038,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(O)C1CC,GLAUCONIC ACID,Inactive
+0.960465,CC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O,MENAQUINONE-4,Inactive
+0.96083,CN1CCC2(C)c3cc(O)ccc3N(C)C12.O=C(O)C=CC(=O)O,ESEROLINE FUMARATE,Inactive
+0.96093,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,HYDROCORTISONE HEMISUCCINATE,Inactive
+0.96166,C#CC1(OC(C)=O)CCC2C3CCC4=CC(OC(C)=O)CCC4C3CCC21C,ETHYNODIOL DIACETATE,Inactive
+0.96168,COc1ccc(-c2coc3cc(O)cc(OC)c3c2=O)cc1,"5,4'-DIMETHOXY-7-HYDROXYISOFLAVONE",Inactive
+0.962195,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,DEHYDROROTENONE,Inactive
+0.962525,COc1cc2c(cc1OC)-c1c(oc3cc4c(cc3c1=O)CCO4)CO2,DIHYDRODEHYDROEROSONE,Inactive
+0.96255,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2ccccc2CC1C(=O)O,QUINAPRIL,Inactive
+0.96263,CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl,FLUOXETINE HYDROCHLORIDE,Inactive
+0.962755,Cn1cc[nH]c1=S,METHIMAZOLE,Inactive
+0.962795,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O,SILDENAFIL CITRATE,Inactive
+0.962925,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,AGARIC ACID,Inactive
+0.963005,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,TOLBUTAMIDE,Inactive
+0.96302,Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,VORTIOXETINE HYDROBROMIDE,Inactive
+0.963055,O=C(O)C=CC=Cc1ccc2c(c1)OCO2,PIPERIC ACID,Inactive
+0.96324,C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1C(=O)OCC1O,ANDROGRAPHOLIDE,Inactive
+0.96344,Cl.N=C(N)NC(=N)N1CCOCC1,MOROXYDINE HYDROCHLORIDE,Inactive
+0.96378,CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,NIZATIDINE,Inactive
+0.96381,CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cl,TOMATIDINE HYDROCHLORIDE,Inactive
+0.963815,COC(=O)c1c(C)cc(O)cc1O,METHYL ORSELLINATE,Inactive
+0.963835,NC(N)=O,UREA,Inactive
+0.96387,COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,BOLDINE,Inactive
+0.96447,CC(=O)OC1CC2C(C)(C)C(O)CCC2(C)C2CCC3(C)C(=CC(=O)OC3c3ccoc3)C12C,3beta-HYDROXYDEOXODIHYDRODEOXYGEDUNIN,Inactive
+0.964625,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,SULFAPYRIDINE,Inactive
+0.964745,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,TERBUTALINE HEMISULFATE,Inactive
+0.96518,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,CHLOROGUANIDE HYDROCHLORIDE,Inactive
+0.9652,C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,ESTROPIPATE,Inactive
+0.965255,O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1,REBAMIPIDE,Inactive
+0.965685,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,ARACHIDONIC ACID,Inactive
+0.966075,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)C=CC(=O)O,PHENIRAMINE MALEATE,Inactive
+0.966385,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)[O-].[Ca+2],ATORVASTATIN CALCIUM,Inactive
+0.966515,Cl.NCC(N)C(=O)O,BETA-AMINOALANINE HYDROCHLORIDE,Inactive
+0.966525,O=C(O)CCCCC(=O)O,ADIPIC ACID,Inactive
+0.966625,CC1(C)CC2C1CCC1(C)OC1CCC2(C)O,2-HYDROXY-5 (6)EPOXY-TETRAHYDROCARYOPHYLLENE,Inactive
+0.96668,CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)C=CC(=O)O,PIMETHIXENE MALEATE,Inactive
+0.966735,O=[N+]([O-])c1ccc([As](=O)(O)O)cc1,NITARSONE,Inactive
+0.966795,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)C=CC(=O)O,CHLORPHENIRAMINE MALEATE,Inactive
+0.96681,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,CITICOLINE,Inactive
+0.967005,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,DAIDZEIN,Inactive
+0.967015,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,DROXYDOPA,Inactive
+0.967225,COc1cc(C(=O)O)cc(OC)c1O,SYRINGIC ACID,Inactive
+0.96772,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,OXOLAMINE CITRATE,Inactive
+0.967725,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],CLIDINIUM BROMIDE,Inactive
+0.96778,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,NONIVAMIDE,Inactive
+0.96792,CCOC(=O)c1ccc(N)cc1,BENZOCAINE,Inactive
+0.96805,COc1ccc(C=CC(=O)O)cc1OC,DIMETHYLCAFFEIC ACID,Inactive
+0.96806,NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O,MIZORIBINE,Inactive
+0.9681,COc1ccc2c(C)cc(=O)oc2c1,HYMECROMONE METHYL ETHER,Inactive
+0.968585,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,TOLFENAMIC ACID,Inactive
+0.96876,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,beta-SITOSTEROL,Inactive
+0.968895,O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,NARINGENIN,Inactive
+0.969015,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,DESLORATIDINE,Inactive
+0.96903,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl,MECLIZINE HYDROCHLORIDE,Inactive
+0.969485,C=CCC1(O)CCC2C3CCC4=CCCCC4C3CCC21C,ALLYLESTRENOL,Inactive
+0.96985,COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,CAPSAICIN,Inactive
+0.969955,CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1,GLYCYRRHIZIN,Inactive
+0.970085,CC(=O)OCC(=O)C1(OC(C)=O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,DIFLORASONE DIACETATE,Inactive
+0.97023,C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl,CLORGILINE HYDROCHLORIDE,Inactive
+0.970255,CC1=CC(=O)C(C(C)C)=CC1=O,THYMOQUINONE,Inactive
+0.97035,COC1C(O)C(O)C(O)C(O)C1O,QUEBRACHITOL,Inactive
+0.970685,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O,TRIMEPRAZINE TARTRATE,Inactive
+0.97085,C=CCCCCCCCCCCCC(O)CC(O)CO,AVOCADENE,Inactive
+0.9709,COc1cc(C)c(C(=O)O)c(O)c1,EVERNINIC ACID,Inactive
+0.971025,CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1,FIROCOXIB,Inactive
+0.97106,CCC(=O)OC1(C(=O)SCF)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,FLUTICASONE PROPIONATE,Inactive
+0.971245,CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,METHYCLOTHIAZIDE,Inactive
+0.97145,NCCCS(=O)(=O)O,TRAMIPROSATE,Inactive
+0.97153,O=C(CO)C(O)C(O)C(O)CO,L(-)-SORBOSE,Inactive
+0.972115,CN1CCOC(c2ccccc2)c2ccccc2C1,NEFOPAM,Inactive
+0.97213,CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1,STROPHANTHIDIN,Inactive
+0.97223,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,PYRIPROXYFEN,Inactive
+0.97228,Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2,METICRANE,Inactive
+0.972465,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,SULFAMETHOXAZOLE,Inactive
+0.97249,CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,SULFLURAMID,Inactive
+0.972675,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,FLUPHENAZINE HYDROCHLORIDE,Inactive
+0.97272,CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CCC3(CC(O)C(C)C(C(C)C(OC)C(C)C(=O)[O-])O3)O2)O1.[Na+],MONENSIN SODIUM,Inactive
+0.972765,CCCCC(O)c1ccccc1,FENIPENTOL,Inactive
+0.973075,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,TROPICAMIDE,Inactive
+0.97315,CCCCCC(CC(=O)O)C(=O)O,NONIC ACID,Inactive
+0.973255,Cc1ccc(=O)n(-c2ccccc2)c1,PIRFENIDONE,Inactive
+0.97335,O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,NIFUROXAZIDE,Inactive
+0.973365,CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+],ETIDRONATE DISODIUM,Inactive
+0.973405,CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,LOVASTATIN,Inactive
+0.973915,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,CHRYSIN DIMETHYL ETHER,Inactive
+0.973945,CN1CC(=O)NC1=N,CREATININE,Inactive
+0.973945,C=C1CCC2C(CC2(C)C)C(=O)CCC1O,ISOKOBUSONE,Inactive
+0.974,CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1.O=C(O)C=CC(=O)O,TIMOLOL MALEATE,Inactive
+0.974075,CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C,ERGOSTEROL,Inactive
+0.97432,CC(=O)N=c1sc(S(N)(=O)=O)nn1C,METHAZOLAMIDE,Inactive
+0.974605,Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O,FTAXILIDE,Inactive
+0.97469,C=C(C)C1CC=C(C)CC1,d-LIMONENE,Inactive
+0.975275,Cl.NCC(=O)c1ccccc1,PHENACYLAMINE HYDROCHLORIDE,Inactive
+0.975375,CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CCC=C(C)C)C1(C)CC3,LANOSTEROL ACETATE,Inactive
+0.975605,CNC1(C)C2CCC(C2)C1(C)C.Cl,MECAMYLAMINE HYDROCHLORIDE,Inactive
+0.975625,O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12,"3,5-DIHYDROXYFLAVONE",Inactive
+0.975665,O=C(O)C1CC(C2CCCCN2)CN2CCCCC12,APHYLLIC ACID,Inactive
+0.975775,NCc1cccnc1,PICOLAMINE,Inactive
+0.975795,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,DIACERIN,Inactive
+0.975885,O=C(O)C1CCCN1,PROLINE (L),Inactive
+0.97598,CN(C)CCN(Cc1cccs1)c1ccccn1.Cl,METHAPYRILENE HYDROCHLORIDE,Inactive
+0.97604,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CHENODIOL,Inactive
+0.976055,CC(C)c1c(O)ccc2c1CCC1C(C)(C=O)CCCC21C,TOTARALOLAL,Inactive
+0.976205,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,CAMPTOTHECIN,Inactive
+0.976295,CN(C)Cc1c[nH]c2ccccc12,GRAMINE,Inactive
+0.97636,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,AMITRIPTYLINE HYDROCHLORIDE,Inactive
+0.976425,C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21,PARTHENOLIDE,Inactive
+0.97647,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,BUPROPION,Inactive
+0.97647,CCOc1ccc(NC(=O)CC(C)O)cc1,BUCETIN,Inactive
+0.976545,Cc1cccc(O)c1,METACRESOL,Inactive
+0.976795,CC(=O)OC1(C(C)=O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C,MEGESTROL ACETATE,Inactive
+0.976955,COc1cc2c(cc1-c1coc3c4c(ccc3c1=O)OC(C)(C)CC4)OCO2,JAMAICIN,Inactive
+0.97744,CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1O,PROSCILLARIDIN A,Inactive
+0.977515,CC(=O)OC1CC2CCC1(C)C2(C)C,BORNYL ACETATE,Inactive
+0.977765,COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)C=CC(=O)O,ALISKIREN HEMIFUMARATE,Inactive
+0.97782,FC(F)(F)C(Cl)Br,HALOTHANE,Inactive
+0.97792,CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35C(O)CC12C,CIMICIFUGOSIDE H1,Inactive
+0.977945,O=C1NS(=O)(=O)c2ccccc21,SACCHARIN,Inactive
+0.977995,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,NIFLUMIC ACID,Inactive
+0.978085,CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(C(=O)CCl)O1,HALCINONIDE,Inactive
+0.97816,CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C,FRIEDELIN,Inactive
+0.97833,CC1=CCc2c(cc3oc(C)cc(=O)c3c2O)OC1,PTAEROXYLIN,Inactive
+0.97835,CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C21,CARBAZOCHROME,Inactive
+0.97858,CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1,APIGENIN TRIACETATE,Inactive
+0.978675,CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,NORDIHYDROGUARETIC ACID,Inactive
+0.978685,CCCCCCCCCCCCCCCCCCCCCCO,DOCOSANOL,Inactive
+0.97879,C#CCCCCCCCCCCCC(O)CC(O)CO.C=CCCCCCCCCCCCC(O)CC(O)CO,AVOCATIN B,Inactive
+0.9788,CCCC(CCC)C(=O)[O-].[Na+],VALPROATE SODIUM,Inactive
+0.979095,Cl.NCCCC(N)C(=O)O,ORNITHINE HYDROCHLORIDE,Inactive
+0.979115,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,CHLORMEZANONE,Inactive
+0.97925,CC1(C)C(=O)C2CC3(O)C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C(C)(C2=O)C1CC(=O)O,8-HYDROXYCARAPINIC ACID,Inactive
+0.979375,COC(=O)CC1C(C)(C)C(OC(C)=O)C2CC3C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,DIHYDROFISSINOLIDE,Inactive
+0.979395,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,DANTHRON,Inactive
+0.97945,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,BUTOPYRONOXYL,Inactive
+0.979515,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],METHACHOLINE CHLORIDE,Inactive
+0.97954,CCN(CC)CCNC(=O)COc1ccc(OC)cc1.Cl,MEFEXAMIDE HYDROCHLORIDE,Inactive
+0.97957,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O,EPIANDROSTANEDIOL,Inactive
+0.97962,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl,ONDANSETRON HYDROCHLORIDE,Inactive
+0.979825,Cc1ccc(C2OC(CO)C(O)C(O)C2O)cc1Cc1ccc(-c2ccc(F)cc2)s1,CANAGLIFLOZIN,Inactive
+0.9799,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,MICONAZOLE NITRATE,Inactive
+0.97991,O=C(CNC(=O)c1ccc(Cl)cc1)NO,BENURESTAT,Inactive
+0.97992,CCc1cc(C(N)=S)ccn1,ETHIONAMIDE,Inactive
+0.98022,Cn1c([N+](=O)[O-])cnc1COC(N)=O,RONIDAZOLE,Inactive
+0.98026,O=C(O)C=Cc1ccc(O)c(O)c1,CAFFEIC ACID,Inactive
+0.98038,Cl.c1ccc(CC2=NCCN2)cc1,TOLAZOLINE HYDROCHLORIDE,Inactive
+0.980445,Cc1occc(=O)c1O,LARIXINIC ACID,Inactive
+0.980575,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl,PIPERIDOLATE HYDROCHLORIDE,Inactive
+0.980575,CCN(CC)C(=O)c1cccc(C)c1,DIETHYLTOLUAMIDE,Inactive
+0.98064,CC1CCC2C(C)(CO)C(O)CCC2(C)C12CCC(CO)(CCO)O2,LAGOCHILIN,Inactive
+0.98068,C=CCN=C=S,ALLYLISOTHIOCYANATE,Inactive
+0.98086,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,RIBOFLAVIN,Inactive
+0.98101,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,7-DEACETYLKHIVORIN,Inactive
+0.98103,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])O)c2cc1C.[Na+],RIBOFLAVIN 5-PHOSPHATE SODIUM,Inactive
+0.981165,O=c1c(O)c(-c2ccc(O)cc2)oc2ccccc12,"3,4'-DIHYDROXYFLAVONE",Inactive
+0.98141,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1,ISOPOMIFERIN,Inactive
+0.98146,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],DICLOXACILLIN SODIUM,Inactive
+0.98147,O=C(CCBr)N1CCN(C(=O)CCBr)CC1,PIPOBROMAN,Inactive
+0.98159,CCC(C)C(=O)OC1CC2(C)C(c3ccoc3)OC(=O)CC23OC2(C)OC34C(OC(=O)C(C)C)C3(O)C(OC(=O)C5(C)OC5C)C5(C)CC3(O)C(C)(C5CC(=O)OC)C14O2,ENTANDROPHRAGMIN,Inactive
+0.98162,CC(=O)NC1CCSC1=O,CITIOLONE,Inactive
+0.981635,Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CETIRIZINE HYDROCHLORIDE,Inactive
+0.981665,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)C(=O)C4OC423)C1(C)C,KHAYANTHONE,Inactive
+0.98169,O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12,"3',6-DIHYDROXYFLAVONE",Inactive
+0.981775,CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O,LORNOXICAM,Inactive
+0.981775,COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,PHYSCION,Inactive
+0.98207,CC(=O)NC(CCC(N)=O)C(=O)O,ACEGLUTAMIDE,Inactive
+0.982205,COc1cc(C=O)ccc1O,VANILLIN,Inactive
+0.98233,CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,HECOGENIN ACETATE,Inactive
+0.98244,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,TOLNAFTATE,Inactive
+0.98247,CNCCCN1c2ccccc2CCc2ccccc21.Cl,DESIPRAMINE HYDROCHLORIDE,Inactive
+0.98291,NC(Cn1ccc(=O)c(O)c1)C(=O)O,MIMOSINE,Inactive
+0.98297,Cl.NCc1ccc(S(N)(=O)=O)cc1,MAFENIDE HYDROCHLORIDE,Inactive
+0.983055,CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C(O)C=CC(=O)O,ACEPROMAZINE MALEATE,Inactive
+0.98319,Cl.Clc1ccccc1CN1CCc2sccc2C1,TICLOPIDINE HYDROCHLORIDE,Inactive
+0.98322,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O,GLIMEPIRIDE,Inactive
+0.983315,Cl.NCCc1ccccc1,PHENETHYLAMINE HYDROCHLORIDE,Inactive
+0.983545,COc1ccc(C=CC(=O)c2ccccc2)cc1,4-METHOXYCHALCONE,Inactive
+0.98372,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,BENZYDAMINE HYDROCHLORIDE,Inactive
+0.983895,CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,TENOFOVIR,Inactive
+0.983905,COc1cccc(O)c1O,3-METHOXYCATECHOL,Inactive
+0.9843,O=C(C=Cc1ccc(O)c(O)c1)C=C(O)C=Cc1ccc(O)c(O)c1,DI-O-DEMETHYLCURCUMIN,Inactive
+0.984315,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CITALOPRAM HYDROBROMIDE,Inactive
+0.98432,NC(=O)CN1CCCC1=O,PIRACETAM,Inactive
+0.984575,O=S(=O)([O-])CCS.[Na+],MESNA,Inactive
+0.98496,COc1ccc(OC)c(C(O)C(C)N)c1.Cl,METHOXAMINE HYDROCHLORIDE,Inactive
+0.985135,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,SULCONAZOLE NITRATE,Inactive
+0.98515,CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12.Cl,TERBINAFINE HYDROCHLORIDE,Inactive
+0.98516,Cc1c(O)c(=O)ccn1C,DEFERIPRONE,Inactive
+0.98533,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],MEPENZOLATE BROMIDE,Inactive
+0.98533,Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,KATACINE,Inactive
+0.98546,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)[O-].[Ca+2],ROSUVASTATIN CALCIUM,Inactive
+0.98549,CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O,TAZOBACTAM,Inactive
+0.98552,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,CEFADROXIL,Inactive
+0.98552,CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,beta-CAROTENE [2mM],Inactive
+0.985605,NC(CC(=O)O)C(=O)O,ASPARTIC ACID (L),Inactive
+0.98587,Cl.NC(Cc1ccc(Cl)cc1)C(=O)O,FENCLONINE (+/-),Inactive
+0.985875,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O,BUTACAINE SULFATE,Inactive
+0.98594,C=CCCCCCCCCCCCc1ccco1,AVOCADENOFURAN,Inactive
+0.98597,NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,CHLORTHALIDONE,Inactive
+0.986015,CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)C=CC(=O)O,CARBINOXAMINE MALEATE,Inactive
+0.9861,COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,TEMEFOS,Inactive
+0.986195,COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC,RESERPINE,Inactive
+0.986325,Cc1ccsc1C=CC1=NCCCN1C.O=C(O)CC(O)(CC(=O)O)C(=O)O,MORANTEL CITRATE,Inactive
+0.98636,NC(=O)NC1NC(=O)NC1=O,ALLANTOIN,Inactive
+0.987015,COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1,AMEZINIUM METILSULFATE,Inactive
+0.987015,OCC(O)C(O)C(O)CO,ADONITOL,Inactive
+0.987035,Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,CIANIDANOL [+-catechin],Inactive
+0.98705,COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)c(OC)c1,"5-HYDROXY-2',4',7,8-TETRAMETHOXYFLAVONE",Inactive
+0.987065,O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O,RAFOXANIDE,Inactive
+0.98728,COc1cc2c(cc1OC)C(C)NCC2,SALSOLIDINE,Inactive
+0.987425,CC(=O)NCCCCCC(=O)O,ACEXAMIC ACID,Inactive
+0.98783,CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O,DIGOXIGENIN,Inactive
+0.98787,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,TRIHEXYPHENIDYL HYDROCHLORIDE,Inactive
+0.98797,C=C1CC2C(CCC3(C)C(=O)CCC23)C2(C)C=CC(=O)C=C12,EXEMESTANE,Inactive
+0.988065,CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O,EQUILIN,Inactive
+0.988385,CN1CCN2c3ncccc3Cc3ccccc3C2C1,MIRTAZAPINE,Inactive
+0.98863,CCOC(=O)Nc1nc2ccccc2[nH]1,LOBENDAZOLE,Inactive
+0.988705,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)C=CC(=O)O,FLUPIRTINE MALEATE,Inactive
+0.98889,COc1cc2c(cc1C=O)OCO2,"2-METHOXY-4,5-METHYLENEDIOXYBENZALDEHYDE",Inactive
+0.98893,COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2,LEOIDIN [10mg],Inactive
+0.98897,CC(O)CC(C)(C)O,HEXYLENE GLYCOL,Inactive
+0.989425,C[N+](C)(C)CC(O)CC(=O)[O-],LEVOCARNITINE,Inactive
+0.989435,COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,TETRABENAZINE ,Inactive
+0.98974,C=CCc1cc(OC)c2c(c1OC)OCO2,APIOLE,Inactive
+0.989835,c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,PIRIBEDIL HYDROCHLORIDE,Inactive
+0.98984,O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,ALRESTATIN,Inactive
+0.989905,O=C1OC(C(O)CO)C(O)=C1O,ASCORBIC ACID,Inactive
+0.98993,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CC1Cc3cc(OC)c(OC)cc31)CC2.Cl,IVABRADINE HYDROCHLORIDE,Inactive
+0.989985,CCC(N)C(O)c1ccc(O)c(O)c1.Cl,ETHYLNOREPINEPHRINE HYDROCHLORIDE,Inactive
+0.989985,COc1ccc2c(c1)OC1COc3cc(OC)c(OC)cc3C1C2=O,MUNDOSERONE,Inactive
+0.99013,NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,MELPHALAN,Inactive
+0.990205,O=c1cc(-c2ccccc2O)oc2ccc(O)cc12,"6,2'-DIHYDROXYFLAVONE",Inactive
+0.99039,CCOc1ccc2nc(S(N)(=O)=O)sc2c1,ETHOXZOLAMIDE,Inactive
+0.99049,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl,TOLPERISONE HYDROCHLORIDE,Inactive
+0.990505,CN1CC(CNC(=O)OCc2ccccc2)CC2c3cccc4c3c(cn4C)CC21,METERGOLINE,Inactive
+0.990535,C#CC1(O)CCC2C3CCC4=CCCCC4C3C(=C)CC21CC,DESOGESTREL,Inactive
+0.990645,CS(=O)(=O)[O-].C[n+]1ccccc1C=NO,PRALIDOXIME MESYLATE,Inactive
+0.990665,OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,GLUCITOL-4-GLUCOPYANOSIDE,Inactive
+0.990685,COc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1,"ISOTECTORIGENIN, 7-METHYL ETHER",Inactive
+0.99071,CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1,OXIBENDAZOLE,Inactive
+0.99071,COc1ccc(C(=O)C=Cc2ccccc2)cc1,4'-METHOXYCHALCONE,Inactive
+0.990975,COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl,TRIMETAZIDINE DIHYDROCHLORIDE,Inactive
+0.99124,CCOC(=O)c1cncn1C(C)c1ccccc1,ETOMIDATE,Inactive
+0.991285,CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,RACECADOTRIL,Inactive
+0.991405,O=C(O)C=CC(=O)O.c1ccc2nc(N3CCNCC3)ccc2c1,QUIPAZINE MALEATE,Inactive
+0.99177,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,ATENOLOL,Inactive
+0.991855,Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,AMINOPTERIN,Inactive
+0.99186,Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CCC2C)c1,SUVOREXANT,Inactive
+0.99196,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],SURAMIN HEXASODIUM,Inactive
+0.99211,CC12CCC3c4ccc(OC(=O)N(CCCl)CCCl)cc4CCC3C1CCC2O,ESTRAMUSTINE,Inactive
+0.99213,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C4=CC(=O)OC(c5ccoc5)C4(C)CCC32)C1(C)C,DEOXYKHIVORIN,Inactive
+0.99223,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O,PENTOLINIUM TARTRATE,Inactive
+0.99233,CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O,DISOPYRAMIDE PHOSPHATE,Inactive
+0.992375,CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,PANTETHINE,Inactive
+0.992495,NCCCC(N)CC(=O)NC1CNC(=O)C(C2CC(O)NC(N)=N2)NC(=O)C(=CNC(N)=O)NC(=O)C(CO)NC(=O)C(CO)NC1=O.O=S(=O)(O)O,VIOMYCIN SULFATE,Inactive
+0.99262,OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,ARBUTIN,Inactive
+0.992635,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)C=CC(=O)O,TRIMEBUTINE MALEATE,Inactive
+0.99271,NC1CCCCC1N.O=C1O[Pt]OC1=O,OXALIPLATIN,Inactive
+0.99274,CC(C)c1c(O)ccc2c1CCC1C(C)(C)CCCC21C,TOTAROL,Inactive
+0.99276,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,SUMATRIPTAN,Inactive
+0.99282,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,CLOFIBRIC ACID,Inactive
+0.992885,CN1C(C)(C)CCCC1(C)C.O=C(O)C(O)C(O)C(=O)O,PEMPIDINE TARTRATE,Inactive
+0.99298,CC(C)c1c(O)ccc2c1CCC1C(C)(C)C(=O)CCC21C,TOTAROLONE,Inactive
+0.99326,O.OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,D-LACTITOL MONOHYDRATE,Inactive
+0.993395,COc1cc(C)c(C(=O)O)c(OC(C)=O)c1,ACETYL EVERNINIC ACID,Inactive
+0.99342,CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23,MONOCROTALINE,Inactive
+0.99346,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,RETINOL,Inactive
+0.993565,COC(=O)C(N)CS.Cl,MECYSTEINE HYDROCHLORIDE,Inactive
+0.993615,O=C(O)C1(O)CC(O)C(O)C(O)C1,QUINIC ACID,Inactive
+0.99383,Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+],SULFAQUINOXALINE SODIUM,Inactive
+0.99399,NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],LEVOTHYROXINE SODIUM,Inactive
+0.994085,O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,HIERACIN,Inactive
+0.99412,N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O.O.O.[Na+].[Na+],SODIUM NITROPRUSSIDE DIHYDRATE,Inactive
+0.99485,NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1,PROTIRELIN,Inactive
+0.99496,CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1,ACETAMINOSALOL,Inactive
+0.995235,COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1,ATRACURIUM BESYLATE,Inactive
+0.99527,O=c1cc(-c2ccccc2)oc2ccccc12,FLAVONE,Inactive
+0.995325,CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O,LANATOSIDE C,Inactive
+0.99536,COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O,ASPARTAME,Inactive
+0.99537,COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4ccc(cc4)CC3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-],TUBOCURARINE CHLORIDE PENTAHYDRATE,Inactive
+0.995465,CCC1(C)CC(=O)NC1=O,ETHOSUXIMIDE,Inactive
+0.995565,Cc1cnc(C(=O)O)c[n+]1[O-],ACIPIMOX,Inactive
+0.99576,Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,PYRVINIUM PAMOATE,Inactive
+0.99581,CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1,NONOXYNOL-9,Inactive
+0.9959,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)CCCC(N)C(=O)[O-])C2SC1.[Zn+2],CEPHALOSPORIN C Zn,Inactive
+0.995925,O=c1c2cc(O)c(O)cc2oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,MANGIFERIN,Inactive
+0.996045,O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,GALANGIN,Inactive
+0.996105,COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)C)O4,DIHYDROROTENONE,Inactive
+0.996235,CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.Cl,ACECAINIDE HYDROCHLORIDE,Inactive
+0.996315,Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,FOLIC ACID,Inactive
+0.996745,CCOC(=O)c1c(C)cc(O)cc1O,ETHYL ORSELLINATE,Inactive
+0.997045,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(NC(C)=O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2,EPRINOMECTIN,Inactive
+0.997045,C[N+](C)(C)CC(=O)[O-].Cl,BETAINE HYDROCHLORIDE,Inactive
+0.99769,CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O,FAMPROFAZONE,Inactive
+0.997715,COc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O,GALANGIN 3-O-METHYL ETHER,Inactive
+0.99785,CC(=O)OC1CC2C(C)(C)C(O)CCC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C,GEDUNOL,Inactive
+0.997875,NC(=O)c1cn(Cc2c(F)cccc2F)nn1,RUFINAMIDE,Inactive
+0.99794,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,FLUCONAZOLE,Inactive
+0.998065,Cl.c1cncc(C2CCCCN2)c1,ANABASINE HYDROCHLORIDE,Inactive
+0.998585,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,FENOFIBRATE,Inactive
+0.998775,CC(C)c1ccc2c(c1O)CCC1C3=C(CCC21C)C(=O)OC3,TRIPTOPHENOLIDE,Inactive
+0.9988,Clc1ccc(CON=C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,OXICONAZOLE NITRATE,Inactive
+0.99885,Cl.Cl.NCCCCN,PUTRESCINE DIHYDROCHLORIDE,Inactive
+0.99904,CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl,MEMANTINE HYDROCHLORIDE,Inactive
+0.999155,CCC1(C)OC(=O)N(C)C1=O,PARAMETHADIONE,Inactive
+0.99919,Cc1ncc([N+](=O)[O-])n1CC(C)O,SECNIDAZOLE,Inactive
+0.99921,O=C([O-])CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+],BALSALAZIDE DISODIUM,Inactive
+0.999255,CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl,VARDENAFIL HYDROCHLORIDE,Inactive
+0.999285,O=C(O)c1ccccc1O,SALICYLIC ACID,Inactive
+0.99967,Cl[Pt]Cl.N.N,CISPLATIN,Inactive
+0.999795,NC(C(=O)O)C(O)C(O)C(O)CO,GLUCOSAMINIC ACID,Inactive
+0.999975,c1ccc2[nH]c(-c3cscn3)nc2c1,THIABENDAZOLE,Inactive
+1.00002,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)cc5)coc24)OC(C)(C)CC3)O1,ISOOSAJIN,Inactive
+1.00006,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl,PROPOXYCAINE HYDROCHLORIDE,Inactive
+1.00008,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,INDAPAMIDE,Inactive
+1.00009,CC1=NCCc2c1[nH]c1cc(O)ccc21.Cl.O.O,HARMALOL HYDROCHLORIDE DIHYDRATE,Inactive
+1.000325,CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC21C,BECLOMETHASONE DIPROPIONATE,Inactive
+1.000325,Cl.NC(Cc1ccccc1)C(=O)O,D-PHENYLALANINE,Inactive
+1.000495,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,MILTEFOSINE [5mM],Inactive
+1.00056,COc1cc(C)c2c(=O)c(-c3ccccc3)coc2c1,METHOXYVONE,Inactive
+1.000635,C=CCSCC=C,DIALLYL SULFIDE,Inactive
+1.000685,CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,OXYPHENCYCLIMINE HYDROCHLORIDE,Inactive
+1.001195,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+],EDETATE DISODIUM,Inactive
+1.001455,Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,HYDROXYZINE HYDROCHLORIDE,Inactive
+1.002,Nc1cc(-c2ccncc2)c[nH]c1=O,INAMRINONE,Inactive
+1.00205,CC1(C)C(O)CC(O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,"1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN",Inactive
+1.00212,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1,10-HYDROXYCAMPTOTHECIN,Inactive
+1.0022,CC(CCC(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.[Na+],DEHYDROCHOLATE SODIUM,Inactive
+1.002335,CCNC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,BRINZOLAMIDE,Inactive
+1.002395,CC1OC(n2cc(F)c(=O)[nH]c2=O)C(O)C1O,DOXIFLURIDINE,Inactive
+1.002445,O=C1CCCC2C3CCC[N+]4([O-])CCCC(CN12)C34,OXYMATRINE,Inactive
+1.00255,O=C(O)CCCCC1SCC2NC(=O)NC21,BIOTIN,Inactive
+1.00267,O=c1cc(-c2ccccc2)oc2ccc(O)cc12,6-HYDROXYFLAVONE,Inactive
+1.002745,CC(=O)Nc1cc([As](=O)(O)O)ccc1O,ACETARSOL,Inactive
+1.00285,Oc1ccc(Cl)cc1,PARACHLOROPHENOL,Inactive
+1.00291,CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl,THIORIDAZINE HYDROCHLORIDE,Inactive
+1.00314,CCN(CC)C(=O)C1(c2ccccc2)CC1CN.Cl,LEVOMILNACIPRAN HYDROCHLORIDE,Inactive
+1.00314,CC(C)=CCCC(C)CC=O,CITRONELLAL (R+),Inactive
+1.003265,CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl,CHLOROPYRAMINE HYDROCHLORIDE,Inactive
+1.00365,NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1,FAMOTIDINE,Inactive
+1.0038,Cc1cccc(C)c1NC1=NCCCS1,XYLAZINE,Inactive
+1.00402,N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O,GUANETHIDINE MONOSULFATE,Inactive
+1.00425,CN1C(=O)CCC1c1cccnc1,COTININE,Inactive
+1.00435,COc1cc2c(cc1-c1cc3cc4ccoc4cc3oc1=O)OCO2,PACHYRRHIZIN,Inactive
+1.00463,CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)C1O.Cl,VANCOMYCIN HYDROCHLORIDE,Inactive
+1.00465,CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,HOMOSALATE,Inactive
+1.004675,COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC.Cl,LOMERIZINE HYDROCHLORIDE,Inactive
+1.004685,COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC,IRIGENIN,Inactive
+1.0049,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,CORYNANTHINE,Inactive
+1.004905,COc1ccc(O)cc1,MEQUINOL,Inactive
+1.00505,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,BEPRIDIL HYDROCHLORIDE,Inactive
+1.00506,CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)C=CC(=O)O,CLEMASTINE FUMARATE,Inactive
+1.005125,CC1OC(OC2C(Oc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1O,NARINGIN,Inactive
+1.005145,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)C=CC(=O)O,TRIMIPRAMINE MALEATE,Inactive
+1.00515,COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,METHYL DEOXYCHOLATE,Inactive
+1.00518,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,IOXILAN,Inactive
+1.005345,Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1,TOLTRAZURIL,Inactive
+1.00551,COc1cccc(C=O)c1OC,o-VERATRALDEHYDE,Inactive
+1.005545,COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)cc1O,HESPERIDIN,Inactive
+1.0056,CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1CC(C2CCCCC2)CC1C(=O)[O-])C(C)C.[Na+],FOSINOPRIL SODIUM,Inactive
+1.005645,COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C,SIROLIMUS,Inactive
+1.005685,CC(C)NCC(O)COc1cccc2ccccc12.Cl,DEXPROPRANOLOL HYDROCHLORIDE [R(+)],Inactive
+1.005715,COC(=O)c1ccc(O)cc1,METHYL PARABEN,Inactive
+1.005725,O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12,"6,4'-DIHYDROXYFLAVONE",Inactive
+1.00583,CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1,DILOXANIDE FUROATE,Inactive
+1.00589,NCCCN.O=C(O)C(O)C(O)C(=O)O,CADAVERINE TARTRATE,Inactive
+1.0059,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,ANASTROZOLE,Inactive
+1.006135,Cc1cccc(Nc2ccccc2C(=O)O)c1C,MEFENAMIC ACID,Inactive
+1.00648,CCCCOC(=O)c1ccc(N)cc1,BUTAMBEN,Inactive
+1.00655,Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,FENOTEROL HYDROBROMIDE,Inactive
+1.00666,Cl.NC(CS)C(=O)O,CYSTEINE HYDROCHLORIDE,Inactive
+1.006735,CCCCCCCCCCCCC(C(=O)O)C(C)C(=O)O,ROCCELLIC ACID,Inactive
+1.006825,CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,URSOLIC ACID,Inactive
+1.006835,CC12CCC(CC1=O)C2(C)C,CAMPHOR,Inactive
+1.006885,Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-],DINITOLMIDE,Inactive
+1.007,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,KETOPROFEN,Inactive
+1.00749,Cl.Nc1ccc(N=Nc2ccccc2)c(N)n1,PHENAZOPYRIDINE HYDROCHLORIDE,Inactive
+1.00751,COP(=O)(OC)OC=C(Cl)Cl,DICHLORVOS,Inactive
+1.007535,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,THIOPHANATE METHYL,Inactive
+1.00755,Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,CLONIXIN,Inactive
+1.007565,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,ARIPIPRAZOLE,Inactive
+1.00764,Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,DEXLANSOPRAZOLE,Inactive
+1.007645,Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,ORPHENADRINE CITRATE,Inactive
+1.007695,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O,GAMBOGIC ACID,Inactive
+1.0077,O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1,URIDINE,Inactive
+1.007815,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C,HYDROCORTISONE ACETATE,Inactive
+1.00784,O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,NIALAMIDE,Inactive
+1.007935,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,CHLORAMBUCIL,Inactive
+1.008055,NCCc1c[nH]c2ccccc12,TRYPTAMINE,Inactive
+1.0081,NC1C(OC2C(C(=O)[O-])OC(COC3C(CO)OC(O)C(O)C3O)C(OS(=O)(=O)[O-])C2O)OC(COS(=O)(=O)[O-])C(O)C1O,HEPARIN SODIUM,Inactive
+1.00834,Cc1cn[nH]c1.Cl,FOMEPIZOLE HYDROCHLORIDE,Inactive
+1.008575,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,COLCHICINE,Inactive
+1.00892,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,BENZOYLPAS,Inactive
+1.00904,CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C4=CC(=O)OC4)C(OC(C)=O)CC32O)C1,GITOXIGENIN DIACETATE,Inactive
+1.009085,NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,CHLOROTHIAZIDE,Inactive
+1.00914,O=C(NC1CCCCC1)NC1CCCCC1,DICYCLOHEXYLUREA,Inactive
+1.00925,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl,LOPERAMIDE HYDROCHLORIDE,Inactive
+1.00937,O=C(O)c1cccc(O)c1O,PYROCATECHUIC ACID,Inactive
+1.009445,NCC(=O)NCC(=O)O,GLYCYLGLYCINE,Inactive
+1.00966,CC(=O)CC1CCCCN1.Cl,PELLETIERINE HYDROCHLORIDE,Inactive
+1.009945,Nc1ccc(C(=O)[O-])cc1.[K+],POTASSIUM p-AMINOBENZOATE,Inactive
+1.0101,CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl,BENACTYZINE HYDROCHLORIDE,Inactive
+1.010235,C1N2CN3CN1CN(C2)C3,METHENAMINE,Inactive
+1.010235,[O-][n+]1cccc(CO)c1,MEPIROXOL,Inactive
+1.01026,CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1,DENATONIUM BENZOATE,Inactive
+1.01032,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C,BACCATIN III,Inactive
+1.010385,CC12C=CC(=O)C=C1CCC1C2CCC2(C)C(=O)CCC12,"ANDROSTA-1,4-DIEN-3,17-DIONE",Inactive
+1.010525,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CHLORPROPAMIDE,Inactive
+1.01086,Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)=N2,DIHYDROFOLIC ACID,Inactive
+1.01096,O=C1CCC(C(=O)N2CSCC2C(=O)O)N1,PIDOTIMOD,Inactive
+1.01105,COc1c2c(cc3c1OCO3)CC[N+](C)=C2.[Cl-],COTARNINE CHLORIDE,Inactive
+1.01132,Cl.NNCc1ccccc1,BENZYLHYDRAZINE HYDROCHLORIDE,Inactive
+1.0115,C=CCSSCC=C,GARLICIN,Inactive
+1.011515,O=C(OC1CN2CCC1CC2)c1ccccc1,BENZOCLIDINE,Inactive
+1.01153,Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN,AMINOPHYLLINE,Inactive
+1.0116,C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3csc(N)n3)C2SC1,CEFIXIME,Inactive
+1.0116,Cn1cnc2c1c(=O)[nH]c(=O)n2C,THEOBROMINE,Inactive
+1.01175,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,CILNIDIPINE,Inactive
+1.0118,OCc1ccccn1,PICONOL,Inactive
+1.01182,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,OROTIC ACID,Inactive
+1.01191,Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Na+],DIPYRONE,Inactive
+1.011915,O=C(O)c1cc(O)c2c(c1)C(C1c3cc(C(=O)O)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc31)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=O,SENNOSIDE A,Inactive
+1.01194,CC(=O)OCC(COC(C)=O)OC(C)=O,TRIACETIN,Inactive
+1.012,OCC(O)CO,GLYCERIN,Inactive
+1.012275,Cl.NNc1nncc2ccccc12,HYDRALAZINE HYDROCHLORIDE,Inactive
+1.01248,CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl,PROCAINAMIDE HYDROCHLORIDE,Inactive
+1.012485,COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,MEXENEONE,Inactive
+1.01255,COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4OC)c3o2)cc1,ISOGINKGETIN,Inactive
+1.012635,CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1.O,EDOXABAN TOSYLATE HYDRATE,Inactive
+1.012685,CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,DESOXYCORTICOSTERONE ACETATE,Inactive
+1.0127,CC1=C2C(O)C(=O)OC3CC4C(C)(C)C(=O)C=CC4(C)C(CC1)C23C,MEROGEDUNIN,Inactive
+1.012765,NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,TRICHLORMETHIAZIDE,Inactive
+1.012765,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,SULFANITRAN,Inactive
+1.012775,CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O,IPRONIAZID PHOSPHATE,Inactive
+1.01282,CCC12C=CCN3CCC4(c5ccc(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32,VINDOLINE,Inactive
+1.01302,CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O,alpha-LAPACHONE,Inactive
+1.013055,CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=NNc1cccc(-c2cccc(C(=O)O)c2)c1O,ELTROMBOPAG,Inactive
+1.01312,C#CCN(C)C(C)Cc1ccccc1.Cl,SELEGILINE HYDROCHLORIDE,Inactive
+1.01322,COc1cccc(OC)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],METHICILLIN SODIUM,Inactive
+1.01323,O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12,ISOSORBIDE DINITRATE,Inactive
+1.013545,CN1CCc2cc3c(cc2C1O)OCO3.Cl,HYDRASTININE HYDROCHLORIDE,Inactive
+1.01386,CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C=CC(C)(C)O2,POMIFERIN,Inactive
+1.0139,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O,ACARBOSE,Inactive
+1.01395,CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,LOSARTAN,Inactive
+1.014045,CC12CCC3c4ccc(O)cc4CCC3C1CCC2O,ESTRADIOL,Inactive
+1.014255,CCOC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O,ETHYL DICHLOROORSELLINATE,Inactive
+1.0144,OC1OC(c2ccc(Cl)c(Cc3ccc(OC4CCOC4)cc3)c2)C(O)C(O)C1O,EMPAGLIFLOZIN,Inactive
+1.0145,COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5ccccc54)C3CC12,MITRAPHYLLINE,Inactive
+1.014535,O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,LACTOSE MONOHYDRATE,Inactive
+1.01455,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,TESTOSTERONE,Inactive
+1.014635,Nc1ccc(O)c(C(=O)O)c1,MESALAMINE,Inactive
+1.0147,CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1,DIMINAZENE ACETURATE,Inactive
+1.01489,CCCCCCCCCCCCCCCCCCOCC(O)CO,BATYL ALCOHOL,Inactive
+1.01494,CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O.O.O.O.O.O.O.O.O,OUABAIN OCTAHYDRATE,Inactive
+1.01505,O=C(O)CCC(=O)O.O=C(OC1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1,SOLIFENACIN SUCCINATE,Inactive
+1.01515,O=CC(O)C(O)C(O)CO,XYLOSE,Inactive
+1.01517,CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl,DIPHENYLPYRALINE HYDROCHLORIDE,Inactive
+1.01528,Cc1cc(=O)n(-c2ccccc2)n1C,ANTIPYRINE,Inactive
+1.01535,C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1,ROTENONE,Inactive
+1.01535,Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,BUTYLATED HYDROXYTOLUENE,Inactive
+1.01535,NC(CSSCC(N)C(=O)O)C(=O)O,CYSTINE,Inactive
+1.015415,Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O,PAMABROM,Inactive
+1.0155,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,NYLIDRIN HYDROCHLORIDE,Inactive
+1.01565,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,QUININE,Inactive
+1.015725,OCC(Br)(Br)Br,TRIBROMOETHANOL,Inactive
+1.01575,O=C(O)CCCCCCC(=O)O,SUBERIC ACID,Inactive
+1.01605,CCCCCCCCCc1ccc(O)cc1,4-NONYLPHENOL,Inactive
+1.016075,COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1,IZALPININ,Inactive
+1.01615,S=C=Nc1ccc(N=C=S)cc1,BITOSCANATE,Inactive
+1.016225,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,DOXORUBICIN,Inactive
+1.01627,CCc1cn(C2OCC(O)C2CO)c(=O)nc1O,EDOXUDINE,Inactive
+1.0164,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CHOLESTEROL,Inactive
+1.01648,CC1(C)OC(=O)NC1=O,DIMETHADIONE,Inactive
+1.0166,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,ANDROSTERONE,Inactive
+1.01665,CC[N+](C)(C)Cc1ccc(Br)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,BRETYLIUM TOSYLATE,Inactive
+1.0167,NC(=O)Nc1ccc([As](=O)(O)O)cc1,CARBARSONE,Inactive
+1.01671,CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)O,PERINDOPRILAT,Inactive
+1.01681,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl,TRIFLUOPERAZINE HYDROCHLORIDE,Inactive
+1.016995,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1.Cl,EPIRUBICIN HYDROCHLORIDE,Inactive
+1.017,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,GALANGIN TRIMETHYL ETHER,Inactive
+1.017015,CNC1CCC2Nc3ccc(C(N)=O)cc3C2C1.O=C(O)CCC(=O)O,FROVATRIPTAN SUCCINATE,Inactive
+1.01712,COc1ccc(-c2c(O)c3c(OC)c4c(cc3oc2=O)OC(C)(C)C=C4)cc1,ROBUSTIC ACID,Inactive
+1.01728,COc1cc2ccc(=O)oc2c(OC)c1OC,DIMETHYLFRAXETIN,Inactive
+1.01765,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,PREDNISOLONE ACETATE,Inactive
+1.0177,O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1,PIPERINE,Inactive
+1.0178,COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O,ETOPOSIDE,Inactive
+1.01785,COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(c3ccoc3)CC12C,SALVINORIN A,Inactive
+1.017885,COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2,ADAPALENE,Inactive
+1.01789,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,SULFISOMIDINE,Inactive
+1.018085,Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C,NIFENAZONE,Inactive
+1.0183,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3,ARISTOLOCHIC ACID,Inactive
+1.01835,N=C(N)NCCCCN.O=S(=O)(O)O,AGMATINE SULFATE,Inactive
+1.01848,COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl,PRAZOSIN HYDROCHLORIDE [10mg],Inactive
+1.0185,CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl,PHENOXYBENZAMINE HYDROCHLORIDE,Inactive
+1.0186,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+],DOCUSATE SODIUM,Inactive
+1.0186,COC(=O)CC1C(C)(C)C(=O)C2CC3=C(CCC4(C)C3=CC(=O)OC4c3ccoc3)C1(C)C2=O,CARAPIN-8(9)-ENE,Inactive
+1.018745,COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12,EVOXINE,Inactive
+1.019,CC(=O)OC1CCC2(C)C(CC(OC(C)=O)C3(C)C4=CC(=O)OC(c5ccoc5)C4(C)CCC23)C1(C)C,3alpha-ACETOXYDIHYDRODEOXYGEDUNIN,Inactive
+1.01905,Cl.NCCc1ccc(O)c(O)c1,DOPAMINE HYDROCHLORIDE,Inactive
+1.01911,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl,TRIMETHOBENZAMIDE HYDROCHLORIDE,Inactive
+1.01915,C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O,GIBBERELLIC ACID,Inactive
+1.01915,CC(C)=CCCC(C)(O)C1CC=C(C)CC1,BISABOLOL,Inactive
+1.019375,O=C(O)c1cc(=O)c2ccccc2o1,CHROMOCARB,Inactive
+1.019435,Cc1cccc(C)c1NC(=O)CN1CCCC1=O,NEFIRACETAM,Inactive
+1.01944,Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,GOSSYPOL,Inactive
+1.0195,CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,EFLOXATE,Inactive
+1.01955,CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1,CETILISAT,Inactive
+1.0196,N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O,DEBRISOQUIN SULFATE,Inactive
+1.019605,O=C(O)CC(O)(CC(=O)O)C(=O)O,CITRIC ACID,Inactive
+1.01973,O=c1ccc2ccc(O)cc2o1,UMBELLIFERONE,Inactive
+1.01975,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,ETHION,Inactive
+1.02013,O=C(OC1CC2CCC(C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-],TROSPIUM CHLORIDE,Inactive
+1.020595,C1CNCCN1,PIPERAZINE,Inactive
+1.02071,CC(Oc1c(Cl)cccc1Cl)C1=NCCN1.Cl,LOFEXIDINE  HYDROCHLORIDE,Inactive
+1.02075,COc1c2ccoc2cc2oc(C)cc(=O)c12,VISNAGIN,Inactive
+1.0208,O=C1CCC23C=CC(=O)NCCCCNCCCNC(=O)C=Cc4ccc(c2c4)OC3C1,LUNARINE,Inactive
+1.020935,CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O,AMPHOTERICIN B,Inactive
+1.02105,CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,NALIDIXIC ACID,Inactive
+1.02105,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,BEZAFIBRATE,Inactive
+1.02105,CC(=O)O.Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,GOSSYPOL-ACETIC ACID COMPLEX,Inactive
+1.02117,CC12C=CC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,PREDNISONE,Inactive
+1.021375,CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1,XANTHYLETIN,Inactive
+1.02145,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,HALOPERIDOL,Inactive
+1.02155,CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C,OLEANOLIC ACID ACETATE,Inactive
+1.0218,CC(=O)Nc1ccc(C(=O)O)cc1,ACEDOBEN,Inactive
+1.02241,CCC(=O)c1ccc(O)cc1,PAROXYPROPIONE,Inactive
+1.0227,O=c1cc(CO)occ1O,KOJIC ACID,Inactive
+1.0228,O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46.O=S(=O)(O)O,STRYCHNINE SULFATE,Inactive
+1.02302,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,AMSACRINE,Inactive
+1.02325,Cl.NC(N)=NC(=O)Cc1c(Cl)cccc1Cl,GUANFACINE HYDROCHLORIDE,Inactive
+1.0233,CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)O)CCC3(C)CCC12C,CELASTROL,Inactive
+1.02345,O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,AZAPERONE,Inactive
+1.02345,Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)NC(=O)C(C(C)C)N1CCCNC1=O,LOPINAVIR,Inactive
+1.0235,NC(=O)CN1CC(O)CC1=O,OXIRACETAM,Inactive
+1.023625,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,PHENYL AMINOSALICYLATE,Inactive
+1.02374,NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O,CYCLOTHIAZIDE,Inactive
+1.02379,COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C.[Na+],RABEPRAZOLE SODIUM,Inactive
+1.02385,COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)C=CC(C)(C)O4,DEGUELIN(-),Inactive
+1.0239,OCc1ccccc1OC1OC(CO)C(O)C(O)C1O,SALICIN,Inactive
+1.0239,COC(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O,BIXIN,Inactive
+1.02395,C#CC1(O)CCC2C3CCc4cc(OC5CCCC5)ccc4C3CCC21C,QUINESTROL,Inactive
+1.024115,COc1cc(C=CC(=O)O)cc(OC)c1O,SINAPIC ACID,Inactive
+1.02413,Br.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,ELETRIPTAN HYDROBROMIDE,Inactive
+1.024145,C=CC(C1=CC(=O)C=CC1=O)c1ccccc1,DALBERGIONE,Inactive
+1.02432,CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC24OC(=O)C5(CCC(C)C(C)C52)CCC34C)C1(C)C,URSOLOLACTONE ACETATE,Inactive
+1.02446,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,ISOXSUPRINE HYDROCHLORIDE,Inactive
+1.02455,Cl.O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,FIPEXIDE HYDROCHLORIDE,Inactive
+1.0246,CCC(=O)OC1(C(=O)CCl)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CLOBETASOL PROPIONATE,Inactive
+1.024655,O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1O,ISOLIQUIRITIGENIN,Inactive
+1.02475,NC1CC1c1ccccc1.O=S(=O)(O)O,TRANYLCYPROMINE SULFATE,Inactive
+1.024765,CCCCCC(C)N.O=S(=O)(O)O,TUAMINOHEPTANE SULFATE,Inactive
+1.0248,C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O,PYRETHRINS,Inactive
+1.024845,Cl.NCCCCC(N)C(=O)O,LYSINE (L) HYDROCHLORIDE,Inactive
+1.024895,Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,AMILORIDE HYDROCHLORIDE,Inactive
+1.025325,Cl.N=C(N)NC(=N)NCCc1ccccc1,PHENFORMIN HYDROCHLORIDE,Inactive
+1.0255,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1.Cl,DAUNORUBICIN HYDROCHLORIDE,Inactive
+1.025545,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,TRAMADOL HYDROCHLORIDE,Inactive
+1.02569,NC1CONC1=O,CYCLOSERINE (D),Inactive
+1.0257,CC(C)(CO)C(O)C(=O)NCCC(=O)[O-].[Na+],PANTOTHENIC ACID(d) Na salt,Inactive
+1.02575,Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,LUMIRACOXIB,Inactive
+1.025835,Cl.NC(=O)CCC(N)C(=O)O,GLUTAMINE (L) HYDROCHLORIDE,Inactive
+1.0259,CC(C)CCCC(C)N,OCTODRINE,Inactive
+1.0261,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,HYDROCORTISONE,Inactive
+1.0261,CCOC(=O)c1cccc(N)c1.CS(=O)(=O)O,TRICAINE MESYLATE,Inactive
+1.02614,CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O,BENZTROPINE MESYLATE,Inactive
+1.0263,CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,ACETOHEXAMIDE,Inactive
+1.02635,O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+],FOSCARNET SODIUM,Inactive
+1.0264,O=P([O-])([O-])F.[Na+].[Na+],SODIUM MONOFLUOROPHOSPHATE,Inactive
+1.0264,CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C,ASTAXANTHIN,Inactive
+1.0265,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1,CEPHALEXIN,Inactive
+1.0266,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,OXIGLUTATIONE,Inactive
+1.02665,CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2,WILFORLIDE A,Inactive
+1.02666,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,LINDANE,Inactive
+1.02667,CCCNC(C)(C)COC(=O)c1ccccc1.Cl,MEPRYLCAINE HYDROCHLORIDE,Inactive
+1.0268,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,PHENOBARBITAL,Inactive
+1.0269,CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl,TAMSULOSIN HYDROCHLORIDE,Inactive
+1.026915,Cc1nccnc1N1CCCCC1.O=S(=O)(O)O,MODALINE SULFATE,Inactive
+1.026915,CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21,AMPIROXICAM,Inactive
+1.02694,Nc1ccc(S(N)(=O)=O)cc1,SULFANILAMIDE,Inactive
+1.027,CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl,LIDOCAINE HYDROCHLORIDE,Inactive
+1.027025,O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1,HALAZONE,Inactive
+1.02705,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,CORTISONE,Inactive
+1.02719,CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,TILORONE,Inactive
+1.027275,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,3alpha-HYDROXY-3-DEOXYANGOLENSIC ACID METHYL ESTER,Inactive
+1.0273,CC(=O)Oc1cccc(O)c1,RESORCINOL MONOACETATE,Inactive
+1.02741,Cc1nccc2c1[nH]c1ccccc12,HARMANE,Inactive
+1.02745,Nc1ccc(S(=O)(=O)[O-])cc1.Nc1ccc(S(=O)(=O)[O-])cc1.[Zn+2],SULFANILATE ZINC,Inactive
+1.02759,CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,HYCANTHONE,Inactive
+1.027825,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,BENZTHIAZIDE,Inactive
+1.02789,Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,EPIGALLOCATECHIN,Inactive
+1.0279,Brc1c(NC2=NCCN2)ccc2nccnc12,BRIMONIDINE,Inactive
+1.0281,OCc1ccccc1,BENZYL ALCOHOL,Inactive
+1.02817,COc1ccc(C=O)cc1,4-ANISALDEHYDE,Inactive
+1.0283,CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1,FLURBIPROFEN,Inactive
+1.0284,NC(Cc1ccc(O)c(O)c1)C(=O)O,LEVODOPA,Inactive
+1.0284,COC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,METHYL CHOLATE,Inactive
+1.02841,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,BENZBROMARONE,Inactive
+1.0286,CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl,MIANSERIN HYDROCHLORIDE,Inactive
+1.02876,CN(C)c1cnccn1.O=S(=O)(O)O,AMPYZINE SULFATE,Inactive
+1.0288,CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,OLEANOLIC ACID,Inactive
+1.02889,O=C1C=C2C=CC3CC2(O1)C1CCCCN31,SECURININE,Inactive
+1.0289,CC(=O)Oc1ccccc1C(=O)O,ASPIRIN,Inactive
+1.0289,O=c1[nH]c(=O)c2ccccc2o1,CARSALAM,Inactive
+1.028995,COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1C(NC(C)=O)CC2,COLCHICEINE,Inactive
+1.029,Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1,SULFACHLORPYRIDAZINE,Inactive
+1.029,COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O,PERUVOSIDE,Inactive
+1.02905,O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1,FENBUFEN,Inactive
+1.0291,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,GENISTEIN,Inactive
+1.02912,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,KAEMPFEROL,Inactive
+1.0293,CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O,MEPHENTERMINE SULFATE,Inactive
+1.02953,C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-],METHYLATROPINE NITRATE,Inactive
+1.02965,COc1cc(O)ccc1C(C)=O,ISOPEONOL,Inactive
+1.029945,OCCN1CC(O)C(O)C(O)C1CO,MIGLITOL,Inactive
+1.02995,CCC(C)(C)O,AMYLENE HYDRATE,Inactive
+1.02995,Cc1cccc(C(=O)O)c1O,HYDROXYTOLUIC ACID,Inactive
+1.03,O=C(O)CCNC(=O)c1ccccc1,BETAMIPRON,Inactive
+1.03007,CC1NC(=O)C2CCCN2C(=O)C(CC(N)=O)NC(=O)C2CSSCC(N)C(=O)NC3CSSCC(NC1=O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)O)CSSCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC3=O)C(=O)N2,LINACLOTIDE (1 mg/ml),Inactive
+1.0301,C=CC[N+]1(C2CC3C4CCC5CC(O)C(N6CCOCC6)CC5(C)C4CCC3(C)C2OC(C)=O)CCCC1.[Br-],ROCURONIUM BROMIDE,Inactive
+1.03011,CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,OCTOCRYLENE,Inactive
+1.03015,CN(C)CCC=C1c2ccccc2COc2ccccc21.Cl,DOXEPIN HYDROCHLORIDE,Inactive
+1.03022,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-],GENTIAN VIOLET,Inactive
+1.0305,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,TENOXICAM,Inactive
+1.03065,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-],PROPANTHELINE BROMIDE,Inactive
+1.03065,N=C(N)NCCCCNC(=N)N.O=S(=O)(O)O,ARCAINE SULFATE,Inactive
+1.03075,N.N.O=C1O[Pt]OC(=O)C12CCC2,CARBOPLATIN,Inactive
+1.03085,OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,SUCRALOSE,Inactive
+1.0309,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,FENOPROFEN,Inactive
+1.031,COc1cc(C(=S)N2CCOCC2)ccc1O,VANITIOLIDE,Inactive
+1.031075,Cl.NCC(CC(=O)O)c1ccc(Cl)cc1,BACLOFEN HYDROCHLORIDE (+/-),Inactive
+1.0312,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21,RAMIPRIL,Inactive
+1.03135,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl,DELAPRIL HYDROCHLORIDE,Inactive
+1.03138,O=c1c2ccccc2oc2ccccc12,XANTHONE,Inactive
+1.0314,C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O.C=CCCCCCCCCCCCC(O)CC(O)COC(C)=O,AVOCATIN A,Inactive
+1.0315,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,BUMETANIDE,Inactive
+1.031585,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,SULFADOXINE,Inactive
+1.031615,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,FlUMAZENIL,Inactive
+1.03175,CCNC1(c2cccs2)CCCCC1=O.Cl,TILETAMINE HYDROCHLORIDE,Inactive
+1.0319,CC(=O)OC1CC2CCC3C(CCC4(C)C3CC([N+]3(C)CCCCC3)C4OC(C)=O)C2(C)CC1N1CCCCC1.[Br-],VECURONIUM BROMIDE,Inactive
+1.03199,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,HYDROCHLOROTHIAZIDE,Inactive
+1.03205,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl,PHENTOLAMINE HYDROCHLORIDE,Inactive
+1.03225,CCC1C(=O)OCC1Cc1cncn1C.O=[N+]([O-])O,PILOCARPINE NITRATE,Inactive
+1.03235,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,TETRAHYDROZOLINE HYDROCHLORIDE,Inactive
+1.03235,Cl.O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5,NALTREXONE HYDROCHLORIDE,Inactive
+1.032475,C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,LUPEOL,Inactive
+1.03255,Cc1cn[nH]c1,FOMEPIZOLE,Inactive
+1.032745,CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,BICALUTAMIDE,Inactive
+1.03285,CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,DIAZOXIDE,Inactive
+1.03285,O=C(O)C1=CC(O)C(O)C(O)C1,SHIKIMIC ACID,Inactive
+1.032985,CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)C=CC(=O)O,KETOTIFEN FUMARATE,Inactive
+1.0332,CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,CANDESARTAN,Inactive
+1.0332,CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,HYDROXYPROGESTERONE,Inactive
+1.0332,COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O,HESPERETIN,Inactive
+1.0332,CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CCc1ccoc1,SOLIDAGENONE,Inactive
+1.033375,CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,TERCONAZOLE,Inactive
+1.0334,C=CCSCC(N)C(=O)O,L-DEOXYALLIIN,Inactive
+1.033415,CN(C)C(=N)NC(=N)N.Cl,METFORMIN HYDROCHLORIDE,Inactive
+1.0337,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+],THIAMYLAL SODIUM,Inactive
+1.033775,Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1,AMITRAZ,Inactive
+1.0338,NC(=O)N1c2ccccc2C=Cc2ccccc21,CARBAMAZEPINE,Inactive
+1.03381,OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O,LACTULOSE,Inactive
+1.0339,O=c1cccc2n1CC1CNCC2C1,CYTISINE,Inactive
+1.03395,Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1,CHLORAZANIL HYDROCHLORIDE,Inactive
+1.033965,Cl.c1ccc(C2CN3CCSC3=N2)cc1,LEVAMISOLE HYDROCHLORIDE,Inactive
+1.03405,Cn1cnc([N+](=O)[O-])c1Sc1[nH]cnc2ncnc1-2,AZATHIOPRINE,Inactive
+1.03405,COc1ccc(-c2cc(=O)c3ccccc3o2)cc1,4'-METHOXYFLAVONE,Inactive
+1.03435,COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1cccc(c1)Oc1ccc(c(O)c1)CC3N(C)CC2)N(C)CC4.Cl.Cl,BERBAMINE HYDROCHLORIDE,Inactive
+1.0344,Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O,CAFFEINE HYDROBROMIDE,Inactive
+1.03455,COc1ccc(C(=O)O)c(O)c1OC,"2-HYDROXY-3,4-DIMETHOXYBENZOIC ACID",Inactive
+1.03477,O=c1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c12,THEAFLAVIN,Inactive
+1.034845,Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O,SKYRIN,Inactive
+1.035,C(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1,CINNARAZINE,Inactive
+1.0351,CC1C(=O)OC2C1CCC1(C)CCC(=O)C(C)C21,ARTEPAULIN,Inactive
+1.03525,Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl,XYLOMETAZOLINE HYDROCHLORIDE,Inactive
+1.03535,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,IRBESARTAN,Inactive
+1.035415,CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,RETINYL ACETATE,Inactive
+1.0356,CC=C1CC(C)C(O)(CO)C(=O)OCC2=CCN3CCC(OC1=O)C23,RETRORSINE,Inactive
+1.035695,N=C1NCCC(C2NC(=O)C(=CNC(N)=O)NC(=O)C(CNC(=O)CC(N)CCCN)NC(=O)C(CO)NC(=O)C(N)CNC2=O)N1.O=S(=O)(O)O,CAPREOMYCIN SULFATE [4mM],Inactive
+1.03575,CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F,TRIAMCINOLONE,Inactive
+1.035835,C#CC1(O)C=CC2C3CCC4=CC(=O)CCC4C3CCC21CC,GESTODENE,Inactive
+1.03605,COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,AVANAFIL,Inactive
+1.03605,CC(=CCO)CCC(C)CCCC(C)CCCC(C)C,PHYTOL,Inactive
+1.036255,COC(=O)CC1C(C)(C)C(OC(C)=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,FISSINOLIDE,Inactive
+1.0363,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O,ISOETHARINE MESYLATE,Inactive
+1.03638,CC(N)C12CC3CC(CC(C3)C1)C2.Cl,RIMANTADINE HYDROCHLORIDE,Inactive
+1.0365,CC(C)CCCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C,"CHOLESTAN-3beta,5alpha,6beta-TRIOL",Inactive
+1.03658,COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,PANTOPRAZOLE,Inactive
+1.0366,COCC12CN(C=O)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1,OXONITINE,Inactive
+1.0367,Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)C=CC(=O)O,IRSOGLADINE MALEATE,Inactive
+1.03675,COc1c(OC)c2occc2c2oc(=O)ccc12,PIMPINELLIN,Inactive
+1.03725,O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,CHLOROGENIC ACID,Inactive
+1.03735,Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,RESVERATROL,Inactive
+1.03755,O=S(=O)([O-])NC1CCCCC1.[Na+],SODIUM CYCLAMATE,Inactive
+1.03757,COC1=CC(=O)OC(C=Cc2ccccc2)C1,KAWAIN,Inactive
+1.037655,OCC1CCCN2CCCCC12,LUPININE,Inactive
+1.038,CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2O,ESTRADIOL BENZOATE,Inactive
+1.038005,CC1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C,CRYPTOTANSHINONE,Inactive
+1.0381,O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,DEFERASIROX ,Inactive
+1.03813,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,ANTAZOLINE,Inactive
+1.0382,O=C(Oc1ccccc1C(=O)O)c1ccccc1O,SALSALATE,Inactive
+1.038265,CNCC(O)c1cccc(O)c1.Cl,L-PHENYLEPHRINE HYDROCHLORIDE,Inactive
+1.03846,CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)O)C1=O.Cl,BENAZEPRIL HYDROCHLORIDE,Inactive
+1.0386,NCCO.NCCO.O[AsH]O[AsH]O,ARSENIC TRIOXIDE DIETHANOLAMINE SALT,Inactive
+1.0386,COc1ccc2[nH]cc(CCNC(C)=O)c2c1,MELATONIN,Inactive
+1.03865,Cc1ccccc1OCC(O)CO,MEPHENESIN,Inactive
+1.03875,NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N,ACADESINE,Inactive
+1.038935,Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1,ISOXICAM,Inactive
+1.03925,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl,NICARDIPINE HYDROCHLORIDE,Inactive
+1.0393,CNCCC(Oc1ccccc1C)c1ccccc1.Cl,ATOMOXETINE HYDROCHLORIDE,Inactive
+1.039365,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1,PECTOLINARIN,Inactive
+1.03937,Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],CLOXACILLIN SODIUM,Inactive
+1.03945,Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,DYPHYLLINE,Inactive
+1.03945,Oc1c(I)cc(I)c2cccnc12,IODOQUINOL,Inactive
+1.03981,Cc1cc(=O)oc2cc(O)c(O)cc12,4-METHYLESCULETIN,Inactive
+1.04025,CC(N)CCCC(C)(C)O.Cl,HEPTAMINOL HYDROCHLORIDE,Inactive
+1.04042,CC(C)(O)C(Cl)(Cl)Cl,CHLOROBUTANOL,Inactive
+1.04075,Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,DOXOFYLLINE,Inactive
+1.04101,CCC(=O)OC1C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C(C)(C2=O)C(CC(=O)OC)C1(C)C,KHAYASIN C,Inactive
+1.041115,COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,NILVADIPINE,Inactive
+1.04125,COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.Cl.Cl,RANOLAZINE DIHYDROCHLORIDE,Inactive
+1.04135,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,BEXAROTENE,Inactive
+1.0414,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)C=CC(=O)O,BROMPHENIRAMINE MALEATE,Inactive
+1.04165,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)C=CC(=O)O,BISOPROLOL FUMARATE,Inactive
+1.04188,NNC(=O)c1ccncc1,ISONIAZID,Inactive
+1.04195,COc1cc(C=O)cc(OC)c1OC,"3,4,5-TRIMETHOXYBENZALDEHYDE",Inactive
+1.04205,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)C(O)C1O.[Na+].[Na+],ADENOSINE TRIPHOSPHATE DISODIUM,Inactive
+1.04215,CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2,NADOLOL,Inactive
+1.04227,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,CELLOBIOSE (D[+]),Inactive
+1.0423,COc1ccc2c(=O)cc(-c3ccccc3OC)oc2c1,"7,2'-DIMETHOXYFLAVONE",Inactive
+1.0424,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,TRIOXSALEN,Inactive
+1.0424,CNCC(O)C(O)C(O)C(O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F,FLUNIXIN MEGLUMINE,Inactive
+1.0425,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,PROBENECID,Inactive
+1.0425,O=c1c(O)c(-c2ccccc2)oc2ccccc12,3-HYDROXYFLAVONE,Inactive
+1.04255,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,PHTHALYLSULFATHIAZOLE,Inactive
+1.0426,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl,VERAPAMIL HYDROCHLORIDE,Inactive
+1.04275,COc1ccc2c(=O)c(OC)c(-c3ccccc3)oc2c1,"3,7-DIMETHOXYFLAVONE",Inactive
+1.0429,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,CARISOPRODOL,Inactive
+1.043,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,BUFLOMEDIL HYDROCHLORIDE,Inactive
+1.0432,CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,LEVOSULPIRIDE,Inactive
+1.0436,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,CLIMBAZOLE,Inactive
+1.04365,CC1=C2N=C(C=C3N=C(C(C)=C4N=C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)(O)OC4C(CO)OC(n5c[n+]([Co]C#N)c6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O,CYANOCOBALAMIN,Inactive
+1.04382,O=C([O-])C=CC(=O)[O-].[Fe+2],FERROUS FUMARATE,Inactive
+1.04395,Cl.NCCc1cc(O)c(O)cc1O,OXIDOPAMINE HYDROCHLORIDE,Inactive
+1.0441,CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],PIPENZOLATE BROMIDE,Inactive
+1.04425,NCCc1ccc(O)cc1,TYRAMINE,Inactive
+1.04445,COc1ccc(C(=O)O)cc1,p-ANISIC ACID,Inactive
+1.04475,COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(O)C1OC2=O,BERGENIN,Inactive
+1.04475,CCCCC(=O)C1CCCC=C1C(=O)O,SEDANOIC ACID,Inactive
+1.0448,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,CLOFIBRATE,Inactive
+1.04485,Oc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1,"EPIAFZELECHIN (2R,3R)(-)",Inactive
+1.0449,Nc1ncnc2[nH]cnc12,ADENINE,Inactive
+1.04495,CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C,CHLORMADINONE ACETATE,Inactive
+1.044985,Cl.NCCS,CYSTEAMINE HYDROCHLORIDE,Inactive
+1.04505,CCCCCCCCCCC(C(=O)O)C1(C(=O)O)CCC(=O)O1,SPICULISPORIC ACID,Inactive
+1.0452,COc1cc(O)c(C(C)=O)c(OC)c1,XANTHOXYLIN,Inactive
+1.045525,C#CC1(O)CCC2C3CCC4=CCCCC4C3CCC21C,LYNESTRENOL,Inactive
+1.0456,CC(C)C(O)=C1C(=O)OC(c2ccoc2)C2(C)C(O)C(O)C34OC5(C)OC3(C12)C(O)C1(O)C(O)C2(C)CC1(O5)C4(C)C2CC(=O)O,HYDROLYSIS PRODUCT OF BUSSEIN,Inactive
+1.04565,CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1,ETEBENECID,Inactive
+1.0457,Cc1c[nH]cn1,4-METHYLIMIDAZOLE,Inactive
+1.04573,CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,CYCLOPAMINE,Inactive
+1.0458,CC=NN(C)C=O,GYROMITRIN,Inactive
+1.04584,CCOC(=O)NNc1nncc2ccccc12.Cl,TODRALAZINE HYDROCHLORIDE,Inactive
+1.04622,Cc1ccc(O)cc1,CRESOL,Inactive
+1.04625,CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3.Cl,APOMORPHINE HYDROCHLORIDE,Inactive
+1.04632,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21,TRANDOLAPRIL,Inactive
+1.04635,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O,DOXAZOSIN MESYLATE,Inactive
+1.0464,COc1ccc2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O,"DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER",Inactive
+1.04652,Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1.O,GANCICLOVIR HYDRATE,Inactive
+1.04655,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,MYRICETIN,Inactive
+1.04675,COc1cc2ccc(=O)oc2c2ccoc12,SPHONDIN,Inactive
+1.04695,CC(CS)C(=O)N1CCCC1C(=O)O,CAPTOPRIL,Inactive
+1.04698,CC1OC(OCC2OC(Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,TROXERUTIN,Inactive
+1.04723,CN1C(=O)CC(c2ccccc2)C1=O,PHENSUCCIMIDE,Inactive
+1.0474,FC(F)(Cl)C(F)(F)Cl,CRYOFLURANE,Inactive
+1.04755,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,SULFATHIAZOLE,Inactive
+1.04765,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,MALATHION,Inactive
+1.0478,CCCCOC(=O)c1ccc(O)cc1,BUTYL PARABEN,Inactive
+1.04785,CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)COC(=O)CCC(=O)[O-])C2(C)C=CC(=O)C=C12.[Na+],METHYLPREDNISOLONE SODIUM SUCCINATE,Inactive
+1.0479,CCC(CO)NCCNC(CC)CO.Cl.Cl,ETHAMBUTOL HYDROCHLORIDE,Inactive
+1.048025,COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O,IDEBENONE,Inactive
+1.04815,COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,APIXABAN,Inactive
+1.04825,CCCc1cc(=O)[nH]c(=S)[nH]1,PROPYLTHIOURACIL,Inactive
+1.04825,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,TEBUCONAZOLE,Inactive
+1.04825,CS(C)(=O)=O,DIMETHYLSULFONE,Inactive
+1.0483,O=S(=O)([O-])CCCS(=O)(=O)[O-].[Na+].[Na+],EPRODISATE DISODIUM,Inactive
+1.0483,CCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-],LEVOCARNITINE PROPIONATE HYDROCHLORIDE,Inactive
+1.0483,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1-c1c(C2Oc3cc(O)cc(O)c3CC2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1,"2',2'-BISEPIGALLOCATECHIN DIGALLATE",Inactive
+1.04836,CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)O,"ABSCISIC ACID (cis,trans; +/-)",Inactive
+1.0484,CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,RUTIN,Inactive
+1.04885,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+],PEMIROLAST POTASSIUM,Inactive
+1.04913,CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,PRASUGREL,Inactive
+1.04915,COc1ccc2c(c1)OCC(=Cc1ccc(OC)c(O)c1)C2=O,SAPPANONE A DIMETHYL ETHER,Inactive
+1.0492,CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-],ISOPROPAMIDE IODIDE,Inactive
+1.0493,CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,ETODOLAC,Inactive
+1.0495,Br.COC(=O)C1=CCCN(C)C1,ARECOLINE HYDROBROMIDE,Inactive
+1.0495,Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+],CHLORAMINE-T,Inactive
+1.04955,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,PREDNISOLONE,Inactive
+1.0496,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,PHENYLBUTAZONE,Inactive
+1.04975,COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,MEBENDAZOLE,Inactive
+1.0499,CC(O)C(N)C(=O)O,THREONINE (L),Inactive
+1.050005,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,NIMODIPINE,Inactive
+1.0501,COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1,PIMOBENDAN,Inactive
+1.0503,COc1cc(C=CC(N)=O)cc(OC)c1OC,CINTRIAMIDE,Inactive
+1.050305,CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1,LACCAIC ACID A,Inactive
+1.050335,CC=CC(=O)N(CC)c1ccccc1C,CROTAMITON,Inactive
+1.05055,O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,EPICATECHIN MONOGALLATE,Inactive
+1.050565,Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2],LEUCOVORIN CALCIUM,Inactive
+1.0506,O=C1O[Bi](O)Oc2ccccc21,BISMUTH SUBSALICYLATE,Inactive
+1.050785,COC1=CC2C3Cc4ccc(OC)c(O)c4C2(CCN3C)CC1=O,SINOMENINE,Inactive
+1.0508,CNC(=O)Oc1cccc2ccccc12,CARBARIL,Inactive
+1.05097,OCC(CO)NC1CC(O)(CO)C(O)C(O)C1O,VOGLIBOSE,Inactive
+1.05103,Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1,ALOGLIPTIN BENZOATE,Inactive
+1.0511,CCC(C(N)=O)N1CCCC1=O,LEVETIRACETAM,Inactive
+1.05115,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,ADENOSINE 5-MONOPHOSPHATE,Inactive
+1.05125,CCCCCC=CCCC(=O)NC1C(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C2NC(=O)C(NC(=O)C4NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)O3)NC(=O)C(N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3C(C(=O)O)NC2=O)OC(CO)C(O)C1O,TEICOPLANIN [A(2-1) shown],Inactive
+1.05125,C=C(C)C1CC=C(CO)CC1,PERILLYL ALCOHOL,Inactive
+1.05125,O=C(O)C1OC(Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C(O)C(O)C1O,BAICALIN,Inactive
+1.0516,O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21,PURPURIN,Inactive
+1.05185,CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O,ADRENOSTERONE,Inactive
+1.05205,CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1,SULINDAC,Inactive
+1.05205,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,AMYGDALIN,Inactive
+1.0521,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1,BUDESONIDE,Inactive
+1.0522,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,OXYBUTYNIN CHLORIDE,Inactive
+1.0523,CC1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1,LEVOSIMENDAN,Inactive
+1.05275,COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43,BRUCINE,Inactive
+1.053,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,FORMONONETIN,Inactive
+1.05335,C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12.[Br-],METHSCOPOLAMINE BROMIDE,Inactive
+1.053355,CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,RUTILANTINONE,Inactive
+1.0534,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-],DECAMETHONIUM BROMIDE,Inactive
+1.0534,C#CC(C)(O)CC,MEPARFYLON,Inactive
+1.0535,CC1CCC2C(C)(C)C3CC12CCC3(C)O,CEDROL,Inactive
+1.053535,CC(C=CC=C(C)C=CC(=O)C1(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C,CAPSANTHIN,Inactive
+1.0536,COc1cc(O)c2c(=O)c3cc(OC)c(OC)cc3oc2c1,"MAGNIFERITIN 3,6,7-TRIMETHYL ETHER",Inactive
+1.05385,CC(C)=CCOc1cc2oc(=O)ccc2cc1O,PRENYLETIN,Inactive
+1.0539,CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C,CYCLOSPORINE,Inactive
+1.0539,COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl,ALFUZOSIN HYDROCHLORIDE,Inactive
+1.05395,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,PERMETHRIN,Inactive
+1.0541,CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,WARFARIN,Inactive
+1.05415,O=c1[nH]cnc2nc[nH]c12,HYPOXANTHINE,Inactive
+1.05425,CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1.Cl,LOBELINE HYDROCHLORIDE,Inactive
+1.05425,CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O,DOCONEXENT,Inactive
+1.05435,CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1,DESONIDE,Inactive
+1.05445,O=C1CCCC2C3CCCN4CCCC(CN12)C34,MATRINE,Inactive
+1.0545,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,PACLITAXEL,Inactive
+1.0545,COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C,GLIQUIDONE,Inactive
+1.05455,CC(N)C(O)c1ccc(O)c(O)c1,LEVONORDEFRIN,Inactive
+1.0547,Cc1ncc(CO)c(CO)c1O.Cl,PYRIDOXINE HYDROCHLORIDE,Inactive
+1.05475,CC(C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C,CANTHAXANTHIN (euglenanone),Inactive
+1.0549,C[Se]CCC(N)C(=O)O,SELENOMETHIONINE,Inactive
+1.05495,COc1cc(OC)c2ccc(=O)oc2c1,CITROPTEN,Inactive
+1.05525,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O,TIGECYCLINE,Inactive
+1.055345,Cc1cc(=O)oc2c(O)c(O)ccc12,4-METHYLDAPHNETIN,Inactive
+1.05545,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,CIPROFIBRATE,Inactive
+1.0558,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,ALBENDAZOLE,Inactive
+1.05615,C[N+](C)(C)CCO.[Cl-],CHOLINE CHLORIDE,Inactive
+1.0562,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,ESZOPICLONE,Inactive
+1.05665,O=C1C(=Cc2cccs2)CCCC1=Cc1cccs1,TENYLIDONE,Inactive
+1.0567,CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1.[Na+],LORGLUMIDE SODIUM,Inactive
+1.057,COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C,DIFFRACTAIC ACID,Inactive
+1.0572,OCC(O)C(O)C(O)C(O)C(O)CO,PERSEITOL,Inactive
+1.05735,COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1,NOCODAZOLE,Inactive
+1.057535,NC(=O)NC(CCC(=O)O)C(=O)O,CARGLUMIC ACID,Inactive
+1.05765,NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O,LISINOPRIL,Inactive
+1.05771,CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],AMPICILLIN SODIUM,Inactive
+1.05775,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,CAPRYILIDENE,Inactive
+1.0578,C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C,NORETHINDRONE,Inactive
+1.05785,C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccc(O)cc1, 4-METHOXY-4'-HYDROXY-DALBERGIONE,Inactive
+1.05805,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,GLUTATHIONE,Inactive
+1.05815,O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],DANTROLENE SODIUM,Inactive
+1.0582,COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1,OMEPRAZOLE,Inactive
+1.05825,Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,TOLAZAMIDE,Inactive
+1.0583,COC1=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C2(C)C1=O)C34C,QUASSIN,Inactive
+1.0584,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,CHLORPYRIFOS,Inactive
+1.05843,CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,DIGITOXIN,Inactive
+1.0588,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I,IDOXURIDINE,Inactive
+1.05885,CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl,PRAMOXINE HYDROCHLORIDE,Inactive
+1.05885,CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)O)C1=O,EPALRESTAT,Inactive
+1.05895,CC1(C(=O)[O-])CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)CCC(=O)[O-])C(C)(C)C5CCC43C)C2C1.[Na+].[Na+],CARBENOXOLONE SODIUM,Inactive
+1.05895,CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CCC2C(C)(C)CCCC32C)cc2c1CCC1C(C)(C)CCCC21C,PODOTOTARIN,Inactive
+1.0591,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],BERBERINE CHLORIDE,Inactive
+1.05915,Nc1nc2c(ncn2COCCO)c(=O)[nH]1,ACYCLOVIR,Inactive
+1.05925,CC1(C(=O)[O-])CCC2(C)CCC3C(=CC(=O)C4C3(C)CCC3C(C)(C)C(OC5OC(C(=O)[O-])C(OC6OC(C(=O)[O-])C(O)C(O)C6O)C(O)C5O)CCC34C)C2C1.[NH4+].[NH4+].[NH4+],"GLYCYRRHIZIC ACID, AMMONIUM SALT",Inactive
+1.0593,CC(=O)OC1CC2(C)C(c3ccoc3)CC3OC32C2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=CC3(C)C12,ANTHOTHECOL,Inactive
+1.05935,CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl,CYCLOPENTOLATE HYDROCHLORIDE,Inactive
+1.0594,NC(Cc1c[nH]c2ccccc12)C(=O)O,TRYPTOPHAN (L),Inactive
+1.05955,CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,BISOCTRIZOLE,Inactive
+1.05975,C=C1CCC=C(C)CCC2C1CC2(C)C.O,(-)E-CARYOPHYLLENE hydrate,Inactive
+1.05985,CCCCCCCCCCCCCCCC(=O)NCCO,PALMIDROL [5mM],Inactive
+1.05995,CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O,NYSTATIN,Inactive
+1.06005,CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl,RITODRINE HYDROCHLORIDE,Inactive
+1.06025,Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,NEBIVOLOL HYDROCHLORIDE,Inactive
+1.0603,O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,IODIPAMIDE,Inactive
+1.0604,CC12CCC(CC1)C(C)(C)O2,EUCALYPTOL,Inactive
+1.0605,C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O,OXTRIPHYLLINE,Inactive
+1.0606,CC(=O)OC(CC(=O)O)[N+](C)(C)C.[Cl-],ACETYLCARNITINE,Inactive
+1.0606,CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(c5ccoc5)OC(=O)C5OC543)C12C,3-DEACETYLKHIVORIN,Inactive
+1.06102,NC(=O)NS(=O)(=O)c1ccc(N)cc1,SULFACARBAMIDE,Inactive
+1.061125,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,ZALEPLON,Inactive
+1.06145,COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1,ROLIPRAM,Inactive
+1.0615,CC(CCC(=O)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,3beta-HYDROXYCHOL-5-ENIC ACID,Inactive
+1.06155,CC(N)C(O)c1ccccc1.Cl,"1S,2R-PHENYLPROPANOLAMINE HYDROCHLORIDE",Inactive
+1.06165,O=C(O)C(O)C(O)C(=O)O.OCc1cccnc1,NICOTINYL ALCOHOL TARTRATE,Inactive
+1.0621,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(OC(C)=O)C1CC,GLAUCONIC ACID ACETATE,Inactive
+1.0622,CC(C)(C)NCC(O)c1ccccc1Cl.Cl,TULOBUTEROL HYDROCHLORIDE,Inactive
+1.06244,O=c1cccc(C=Cc2ccc3c(c2)OCO3)o1,"6-(3,4-METHYLENEDIOXYSTYRYL)-alpha-PYRONE",Inactive
+1.062525,O=C(O)C=C(CC(=O)O)C(=O)O,ACONITIC ACID,Inactive
+1.0626,N#CC1CC2CC2N1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2,SAXAGLIPTIN,Inactive
+1.0627,C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,ETHISTERONE,Inactive
+1.0627,CCC(=O)c1c(O)cc(O)cc1O,FLOPROPIONE,Inactive
+1.0628,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,APIGENIN,Inactive
+1.06285,Cc1c(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)O)c(C)c3CCC(=O)O,HEMATOPORPHYRIN,Inactive
+1.06305,O=C1c2c(O)cc(CO)cc2C(OC2OC(CO)C(O)C(O)C2O)c2cccc(OC3OC(CO)C(O)C(O)C3O)c21,CASANTHRANOL [cascaroside A shown],Inactive
+1.0631,CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,5alpha-CHOLESTANOL,Inactive
+1.06315,CC(C)CCCC(C)NC(C)C.Cl,IPROHEPTINE HYDROCHLORIDE,Inactive
+1.0632,COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O,SULISOBENZONE,Inactive
+1.06345,Br.COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,DEXTROMETHORPHAN HYDROBROMIDE,Inactive
+1.0635,Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,TRAZODONE HYDROCHLORIDE,Inactive
+1.06365,Nc1nc(=O)n(C2CSC(CO)O2)cc1F,EMTRICITABINE,Inactive
+1.06395,Cn1nnc2c(C(N)=O)ncn2c1=O,TEMOZOLOMIDE,Inactive
+1.06436,C=C1CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC2(C)C1(OC(C)=O)C(C)=O,MELENGESTROL ACETATE,Inactive
+1.064445,CC(=O)OC1CCC2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,3beta-ACETOXYDEOXODIHYDROGEDUNIN,Inactive
+1.06465,CC(C)(C(=O)c1cccnc1)c1cccnc1,METYRAPONE,Inactive
+1.0648,O=C([O-])c1ccccc1O.[Na+],SODIUM SALICYLATE,Inactive
+1.06485,CNCC(O)c1ccc(O)cc1.CNCC(O)c1ccc(O)cc1.O=C(O)C(O)C(O)C(=O)O,SYNEPHRINE TARTRATE,Inactive
+1.0649,C[n+]1ccccc1C=NO.[Cl-],PRALIDOXIME CHLORIDE,Inactive
+1.0649,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,EPROBEMIDE,Inactive
+1.0649,COc1ccc(C2COc3c(ccc(O)c3OC)C2)c(OC)c1O,DUARTIN (-),Inactive
+1.0651,O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O,HELICIN,Inactive
+1.065195,CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl,GRANISETRON HYDROCHLORIDE,Inactive
+1.065325,O=NN(CCCl)C(=O)NC1CCCCC1,LOMUSTINE,Inactive
+1.06535,CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O,EPIESTRIOL,Inactive
+1.0655,C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12,HELENINE,Inactive
+1.0657,CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,BROMOCRIPTINE MESYLATE,Inactive
+1.06585,CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,CYPROTERONE ACETATE,Inactive
+1.06585,CC(C)(S)C(N)C(=O)O.NCCO,PENICILLAMINE ETHANOLAMINE SALT,Inactive
+1.065875,O=C(O)C(O)C(O)C(O)C(O)C(=O)O,MUCIC ACID,Inactive
+1.06615,COC1=C(O)C(=O)c2c(cc3oc(C(C)=O)c(O)c3c2O)C1=O,RHODOCLADONIC ACID,Inactive
+1.06625,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.Cl,QUININE HDROCHLORIDE,Inactive
+1.0663,CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1,FLUNISOLIDE,Inactive
+1.06635,O=C(O)c1c2ccccc2cc2ccccc12,ANTHRACENE-9-CARBOXYLIC ACID,Inactive
+1.06675,CC(C)CC(CN)CC(=O)O,PREGABALIN,Inactive
+1.06695,CC(=O)OC1CC2C(C)(C)C(=O)C3OC3C2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C,EPOXYGEDUNIN,Inactive
+1.0672,O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+],DIMESNA,Inactive
+1.0672,CC1=NCCC2c3ccc(O)cc3NC12,HARMALOL,Inactive
+1.06725,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CLOZAPINE,Inactive
+1.0678,CC(CCC(=O)O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C,URSOCHOLANIC ACID,Inactive
+1.0679,CCCCCC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,HYDROXYPROGESTERONE CAPROATE,Inactive
+1.06795,Cl.Oc1noc2c1CCNC2,GABOXADOL HYDROCHLORIDE,Inactive
+1.0682,O=C(O)COc1nn(Cc2ccccc2)c2ccccc12,BENDAZAC,Inactive
+1.06835,COc1ccc(-c2coc3c(O)c(O)c(OC)cc3c2=O)cc1,DIPTERYXIN,Inactive
+1.0684,NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1,NADIDE,Inactive
+1.06845,CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O,FAMCICLOVIR,Inactive
+1.06845,CCOC(=O)C1C(C=C(C)C)C1(C)C,"CHRYSANTHEMIC ACID, ETHYL ESTER",Inactive
+1.0688,CC(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1,PRASTERONE ACETATE,Inactive
+1.0689,COC(=O)C(c1ccccc1)C1CCCCN1.Cl,METHYLPHENIDATE HYDROCHLORIDE,Inactive
+1.0689,COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1,APIGENIN DIMETHYL ETHER,Inactive
+1.06895,NC(=O)NC(=O)Cc1ccccc1,PHENACEMIDE,Inactive
+1.06915,C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132,ANDIROBIN,Inactive
+1.06935,OCC(O)C(O)C(O)C(O)CO,MANNITOL,Inactive
+1.06935,COc1ccc(-c2coc3cc(OC)ccc3c2=O)cc1,"7,4'-DIMETHOXYISOFLAVONE",Inactive
+1.06955,Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],MINOXIDIL,Inactive
+1.06955,Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,CHRYSOPHANOL,Inactive
+1.0698,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl,PIOGLITAZONE HYDROCHLORIDE,Inactive
+1.06985,O=C(NCCO[N+](=O)[O-])c1cccnc1,NICORANDIL,Inactive
+1.0699,COc1cc(C=CC(=O)O)cc(OC)c1OC,SINAPIC ACID METHYL ETHER,Inactive
+1.06995,Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,RITANSERIN,Inactive
+1.07,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C,DEHYDROCHOLIC ACID,Inactive
+1.07005,CNC(Cc1c[nH]c2ccccc12)C(=O)O,ABRINE (L),Inactive
+1.07017,CC(=CCn1c[n+](C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C)C(C)=CCCC21.[Cl-],AGELASINE,Inactive
+1.0702,O=C(CCCl)NCCc1ccccc1,FENACLON,Inactive
+1.07035,NC(=O)NCCCC(N)C(=O)O,CITRULLINE,Inactive
+1.0707,CC(OC1OCCN(C(C)c2nc(=O)[nH][nH]2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,APREPITANT,Inactive
+1.0714,Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+],TOLMETIN SODIUM,Inactive
+1.0714,Cc1cc(O)c(C=O)c(O)c1C(=O)O,HAEMATOMMIC ACID,Inactive
+1.0715,CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C,PHYSOSTIGMINE,Inactive
+1.07155,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O.O=C(O)C=CC(=O)O,ENALAPRIL MALEATE,Inactive
+1.07155,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1,CHLORINDIONE,Inactive
+1.07165,COC(=O)C(c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O,CLOPIDOGREL SULFATE,Inactive
+1.07185,c1ccc2c(c1)sc1ccccc12,DIBENZOTHIOPHENE,Inactive
+1.07185,CNC(=O)CSP(=S)(OC)OC,DIMETHOATE,Inactive
+1.07188,CN1CCC(=C2c3ccccc3CCc3sccc32)CC1.O=C(O)CC(O)C(=O)O,PIZOTYLINE MALATE,Inactive
+1.0721,O=C(O)C(O)C(O)(Cc1ccc(O)cc1)C(=O)O,PISCIDIC ACID,Inactive
+1.0722,C=CC(C)(O)CCC=C(C)C,LINALOOL (+),Inactive
+1.0725,CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl,RACTOPAMINE HYDROCHLORIDE,Inactive
+1.0726,Cn1c(=O)c2[nH]cnc2n(C)c1=O,THEOPHYLLINE,Inactive
+1.0727,CCCCC(=O)OC1(C(=O)CO)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C,HYDROCORTISONE VALERATE,Inactive
+1.0727,O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O,ZOLEDRONIC ACID,Inactive
+1.07285,O=C1OC(CO)C(O)C(O)C1O,GLUCONOLACTONE,Inactive
+1.0729,CC(c1cc2ccccc2s1)N(O)C(N)=O,ZILEUTON,Inactive
+1.073075,O.O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,ESCULIN MONOHYDRATE,Inactive
+1.0731,CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,alpha-TOCHOPHERYL ACETATE [4mM],Inactive
+1.0733,NC(=O)NO,HYDROXYUREA,Inactive
+1.07342,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,BROMINDIONE,Inactive
+1.07345,CNCCC=C1c2ccccc2CCc2ccccc21.Cl,NORTRIPTYLINE HYDROCHLORIDE,Inactive
+1.0735,CNCC(=O)c1ccc(O)c(O)c1.Cl,ADRENALONE HYDROCHLORIDE,Inactive
+1.07355,O=S(=O)(O)NC1CCCCC1,CYCLAMIC ACID,Inactive
+1.07365,CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O,AJMALINE,Inactive
+1.07365,CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O.Cl,VERATRINE HYDROCHLORIDE,Inactive
+1.0737,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4O)C3=O,DIHYDROGAMBOGIC ACID,Inactive
+1.07375,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1,MESOTRIONE,Inactive
+1.07395,CC1(C)C(=O)C=CC2(C)C1=C(O)C(=O)C1(C)C2CCC2(C)C(c3ccoc3)CC3OC321,CEDRELONE,Inactive
+1.07405,CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1,ABIETIC ACID,Inactive
+1.0741,O=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)N1.[Na+],PHENYTOIN SODIUM,Inactive
+1.0742,CNCC(O)C(O)C(O)C(O)CO,MEGLUMINE,Inactive
+1.0744,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl,ACEBUTOLOL HYDROCHLORIDE,Inactive
+1.07455,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],PREDNISOLONE SODIUM PHOSPHATE,Inactive
+1.0746,Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1,NEVIRAPINE,Inactive
+1.07475,COC(=O)CC1C(C)(C)C(=O)C2CC3C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,CARAPIN,Inactive
+1.074795,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C,CORTISONE ACETATE,Inactive
+1.0748,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1,CEPHRADINE,Inactive
+1.07485,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1,METHYL PARATHIONE,Inactive
+1.0749,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,FELODIPINE,Inactive
+1.07495,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,LIOTHYRONINE,Inactive
+1.075,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,IMATINIB,Inactive
+1.07515,CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CC(=O)OC3c3ccoc3)C12C,DEOXYGEDUNIN,Inactive
+1.075155,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,AMINOPYRINE,Inactive
+1.07535,CC12CCC(=O)C=C1C1CC1C1C2CCC2(C)C1C1CC1C21CCC(=O)O1,DROSPIRENONE,Inactive
+1.0757,COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O,GRISEOFULVIN,Inactive
+1.07575,CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,PROBUCOL,Inactive
+1.07585,Cl.NCC(O)c1ccc(O)cc1,OCTOPAMINE HYDROCHLORIDE,Inactive
+1.076,COc1cccc(OC)c1O,SYRINGOL,Inactive
+1.0761,CC(C)CC(N)=O,ISOVALERAMIDE,Inactive
+1.0761,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,CHOLIC ACID,Inactive
+1.07655,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O,LOXAPINE SUCCINATE,Inactive
+1.07655,CC=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,CEFPROZIL,Inactive
+1.07675,CCCC(=O)OC1(C(=O)CO)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C,HYDROCORTISONE BUTYRATE,Inactive
+1.0768,O=C(NCc1ccccc1)OCCO,BURAMATE,Inactive
+1.07685,NC(C(=O)O)C(O)C(=O)O,"d,l-threo-3-HYDROXYASPARTIC ACID",Inactive
+1.0769,COc1ccc2cccc(CCNC(C)=O)c2c1,AGOMELATINE,Inactive
+1.0769,COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1,EVERNIC ACID,Inactive
+1.0773,CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl,PROCAINE HYDROCHLORIDE,Inactive
+1.07765,CNC(=NC#N)NCCSCc1nc[nH]c1C,CIMETIDINE,Inactive
+1.0777,COC(=O)C=CC(=O)OC,DIMETHYL FUMARATE,Inactive
+1.07775,N#CCC(=O)NN,CYACETACIDE,Inactive
+1.07795,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,ETHACRYNIC ACID,Inactive
+1.0787,CC(=O)OC1CCC2(C)C(=CC=C3C2CCC2(C)C3CCC2C(C)C=CC(C)C(C)C)C1(C)C,ERGOSTEROL ACETATE,Inactive
+1.0791,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,VINCRISTINE SULFATE,Inactive
+1.07925,Oc1ccnc(S)n1,2-THIOURACIL,Inactive
+1.07945,Cl.NC(COP(=O)(O)O)C(=O)O,DEXFOSFOSERINE HYDROCHLORIDE,Inactive
+1.0798,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,OLMESARTAN,Inactive
+1.0798,CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1,ZAPRINAST,Inactive
+1.07985,COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,alpha-TOXICAROL (dl),Inactive
+1.0801,CC(C)CCCC(C)C1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C,CHOLEST-5-EN-3-ONE,Inactive
+1.0802,OCC1OC(OC2C(O)C(CO)OC2(CO)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,MELEZITOSE,Inactive
+1.0804,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,BISACODYL,Inactive
+1.0804,O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+],RISEDRONATE SODIUM,Inactive
+1.080425,CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,FLUOROMETHOLONE,Inactive
+1.08075,COC1=CC(=O)C(O)=CC1=CC=Cc1ccccc1,OBTUSAQUINONE,Inactive
+1.08095,NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)C(NC(=O)C(c4ccccc4)S(=O)(=O)[O-])C3SC2)cc1.[Na+],CEFSULODIN SODIUM,Inactive
+1.08095,NC(CO)C(=O)O,SERINE (L),Inactive
+1.08095,COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC,TROXIPIDE,Inactive
+1.081,NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,NEPAFENAC,Inactive
+1.08155,C=CCc1ccc2c(c1)OCO2,SAFROLE,Inactive
+1.0816,CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,RHOIFOLIN,Inactive
+1.0818,CC(=O)Nc1cccc(O)c1,METACETAMOL,Inactive
+1.08185,COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1,"5,7,4'-TRIMETHOXYFLAVONE",Inactive
+1.0819,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl,CLENBUTEROL HYDROCHLORIDE,Inactive
+1.08205,OCC(S)CS,DIMERCAPROL,Inactive
+1.0821,O=c1c(O)c(-c2ccccc2)oc2cc(O)ccc12,"3,7-DIHYDROXYFLAVONE",Inactive
+1.08215,COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O,PYRONARIDINE TETRAPHOSPHATE,Inactive
+1.0823,C=CCC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=CC21C,ALTRENOGEST,Inactive
+1.0824,COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1,ICARIIN,Inactive
+1.0826,O=c1cc(-c2ccccc2O)oc2cc(O)ccc12,"7,2'-DIHYDROXYFLAVONE",Inactive
+1.0829,CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O,ESCITALOPRAM OXALATE,Inactive
+1.0831,CNNCc1ccc(C(=O)NC(C)C)cc1,PROCARBAZINE HYDROCHLORIDE,Inactive
+1.0832,CCOC(N)=O,URETHANE,Inactive
+1.08335,CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.Cl.Cl,PIRENZEPINE HYDROCHLORIDE,Inactive
+1.08365,COc1cc(C(=O)O)cc(OC)c1OC,EUDESMIC ACID,Inactive
+1.0837,CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,DEXRAZOXANE,Inactive
+1.0839,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,INOSINE,Inactive
+1.08395,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,ALTHIAZIDE,Inactive
+1.08395,CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2CC1C(=O)O,QUINAPRILAT,Inactive
+1.0842,CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CARBETAPENTANE CITRATE,Inactive
+1.0843,CC1OC1P(=O)([O-])[O-].[Ca+2],FOSFOMYCIN CALCIUM,Inactive
+1.08435,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO,DESOXYMETASONE,Inactive
+1.08445,COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl,THONZYLAMINE HYDROCHLORIDE,Inactive
+1.0845,CCOC(=O)C1=CC2(CC)CCCN3CCc4c(n1c1ccccc41)C32,VINPOCETINE,Inactive
+1.0846,CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O,DIPYROCETYL,Inactive
+1.08485,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,DROPERIDOL,Inactive
+1.085,COC(=O)CC1C(C)(C)C(=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,MEXICANOLIDE,Inactive
+1.08505,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,DIATRIZOIC ACID,Inactive
+1.08535,CCCc1cc(C(N)=S)ccn1,PROTIONAMIDE,Inactive
+1.0854,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,SULFADIAZINE,Inactive
+1.08565,COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC,PIPLARTINE,Inactive
+1.08575,COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3,"HYDRASTINE (1R, 9S)",Inactive
+1.08635,Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,RALOXIFENE HYDROCHLORIDE,Inactive
+1.0865,C1CCN2CC3CC(CN4CCCCC34)C2C1.O=S(=O)(O)O,SPARTEINE SULFATE,Inactive
+1.08655,Oc1cccc(O)c1,RESORCINOL,Inactive
+1.0866,O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12,"7,4'-DIHYDROXYFLAVONE",Inactive
+1.0867,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3,RAMELTEON,Inactive
+1.0867,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,ROFLUMILAST,Inactive
+1.0868,COc1cc2c(cc1-c1coc3c4c(c(OC)cc3c1=O)OC(C)(C)CC4)OCO2,DIHYDROICTHYONE,Inactive
+1.087,O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,SULFINPYRAZONE,Inactive
+1.087,CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,SUPLATAST TOSYLATE,Inactive
+1.08705,CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC.O=C(O)C(O)C(O)C(=O)O,TYLOSIN TARTRATE,Inactive
+1.08705,CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1,CYCLANDELATE,Inactive
+1.08715,O=c1ccc2ccccc2o1,COUMARIN,Inactive
+1.08725,CCOC(=O)n1ccn(C)c1=S,CARBIMAZOLE,Inactive
+1.08735,CC(O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3],GADOTERIDOL,Inactive
+1.08745,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)C=CC(=O)O,PYRILAMINE MALEATE,Inactive
+1.0876,Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O,ACEFYLLINE,Inactive
+1.08765,O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,ACECLOFENAC,Inactive
+1.08765,CCOC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,ARTEMOTIL,Inactive
+1.08795,COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1,AVOBENZONE,Inactive
+1.088,CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O,DABIGATRAN ETEXILATE MESYLATE,Inactive
+1.088395,COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,TRIMETOZINE,Inactive
+1.08865,NC(=O)c1cnccn1,PYRAZINAMIDE,Inactive
+1.08865,Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1,GLICLAZIDE,Inactive
+1.0888,Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21,BENDAMUSTINE HYDROCHLORIDE,Inactive
+1.0889,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1,ACETYL HYMETOCHROME,Inactive
+1.08895,CC(=O)NO,ACETOHYDROXAMIC ACID,Inactive
+1.089,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,BUTENAFINE HYDROCHLORIDE,Inactive
+1.089,C=C1CC=C(C)CCC2C1CC2(C)C,CARYOPHYLLENE [t(-)],Inactive
+1.0894,CC(=O)OC1CC2CC(OC(C)=O)C3(C)C(CCC4(C)C(c5ccoc5)OC(OC(C)=O)C5OC543)C2(C)C(OC(C)=O)C1,ACETYL-DIHYDRO-7-EPIKHIVORIN,Inactive
+1.0902,C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccccc1,4-METHOXYDALBERGIONE,Inactive
+1.0903,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,THALIDOMIDE,Inactive
+1.0903,CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,CRUSTECDYSONE,Inactive
+1.09035,CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl,LABETALOL HYDROCHLORIDE,Inactive
+1.0904,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl,DOXAPRAM HYDROCHLORIDE,Inactive
+1.09055,Cl.Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,DESLORATADINE HYDROCHLORIDE,Inactive
+1.09065,O.O=P1(N(CCCl)CCCl)NCCCO1,CYCLOPHOSPHAMIDE,Inactive
+1.0907,Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,AMBROXOL HYDROCHLORIDE,Inactive
+1.0911,O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21,FLUORESCEIN,Inactive
+1.0915,COc1ccc(C(=O)O)cc1OC,VERATRIC ACID,Inactive
+1.09155,O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+],CROMOLYN SODIUM,Inactive
+1.0916,COc1cc(C(C)=O)ccc1O,APOCYNIN,Inactive
+1.0917,Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1.Cl,NIMUSTINE HYDROCHLORIDE,Inactive
+1.0918,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,FLUMETHASONE,Inactive
+1.0918,COc1c2occc2c(OC)c2c(=O)cc(C)oc12,KHELLIN,Inactive
+1.092,Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,MILRINONE,Inactive
+1.09215,COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,S-ISOCORYDINE (+),Inactive
+1.0922,CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl,RANITIDINE HYDROCHLORIDE,Inactive
+1.0922,CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,CARAZOLOL,Inactive
+1.0924,Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,MITOXANTRONE HYDROCHLORIDE,Inactive
+1.09255,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21,PIROMIDIC ACID,Inactive
+1.093,COc1cc(-c2coc3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)c(O)c3c2=O)cc(O)c1OC,IRIDIN,Inactive
+1.09305,NCCCC(N)C(=O)O.NCCCC(N)C(=O)O.O=C(O)CCC(=O)C(=O)O,ORNITHINE aKETOGLUTARATE,Inactive
+1.09355,CC=Cc1ccc(OC)cc1,ANETHOLE,Inactive
+1.0936,CC1(C)C(O)CC(=O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,"1,7-DIDEACETOXY-1,7-DIOXO-3-DEACETYLKHIVORIN",Inactive
+1.09365,Cc1ncc([N+](=O)[O-])n1C,DIMETRIDAZOLE,Inactive
+1.0937,Cl.N=c1ccn2c(n1)OC1C(O)C(CO)OC12,ANCITABINE HYDROCHLORIDE,Inactive
+1.0937,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CCCC1C(C)(C)OC2(CC=C(C)C(=O)O)C(=O)O)C3=O,GARCINOLIC ACID,Inactive
+1.094,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,BENZONATATE,Inactive
+1.09405,Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl,OXYMETAZOLINE HYDROCHLORIDE,Inactive
+1.09405,Cl.Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1,GEMCITABINE HYDROCHLORIDE,Inactive
+1.0941,O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,TIRATRICOL,Inactive
+1.0941,COC(=O)c1cc(OC)c(OC)c(OC)c1,METHYL EUDESMATE,Inactive
+1.0943,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,TOPOTECAN HYDROCHLORIDE,Inactive
+1.0943,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl,DOBUTAMINE HYDROCHLORIDE,Inactive
+1.0944,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl,BUPIVACAINE HYDROCHLORIDE,Inactive
+1.0944,C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,BILIRUBIN,Inactive
+1.09455,CC(C)Cn1cnc2c(N)nc3ccccc3c21.Cl,IMIQUIMOD HYDROCHLORIDE,Inactive
+1.09465,Cc1ccc(C(C)C)cc2c(C)ccc1-2,GUAIAZULENE,Inactive
+1.09465,CC1C(=O)OC2CC34C5CC(C(C)(C)C)C36C(OC(=O)C6O)OC4(C(=O)O5)C21O,GINKGOLIDE A,Inactive
+1.0947,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,PRAZIQUANTEL,Inactive
+1.0948,CC(=O)NC1C(NC(=N)N)C=C(C(=O)O)OC1C(O)C(O)CO,ZANAMIVIR,Inactive
+1.09485,CC(=O)NC(CS)C(=O)O,ACETYLCYSTEINE,Inactive
+1.09495,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,SULFAMETHAZINE,Inactive
+1.09505,CN1CCc2cc3c(cc2C1C1OC(=O)c2c1ccc1c2OCO1)OCO3,BICUCULLINE (+),Inactive
+1.0951,CC(NC(=NC#N)Nc1ccncc1)C(C)(C)C,PINACIDIL,Inactive
+1.0952,CCOc1ccc(S(=O)(=O)[O-])c2cccnc12.[Na+],ACTINOQUINOL SODIUM,Inactive
+1.09525,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,RISPERIDONE,Inactive
+1.0955,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-],THIAMINE HYDROCHLORIDE,Inactive
+1.09585,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C(O)C2,ANISODAMINE HYDROBROMIDE (+/-),Inactive
+1.096,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,OLMESARTAN MEDOXOMIL,Inactive
+1.0962,COc1cc(O)cc(OC)c1OC,ANTIAROL,Inactive
+1.09625,CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,HYDROQUINIDINE,Inactive
+1.0964,CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,ATROPINE,Inactive
+1.0964,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21.Cl,YOHIMBINE HYDROCHLORIDE,Inactive
+1.0964,CC1=CCCC(C)=CCC(C)(C)C=CC1,HUMULENE (alpha),Inactive
+1.09645,Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1,ZOMEPIRAC SODIUM,Inactive
+1.09645,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,OXELAIDIN CITRATE,Inactive
+1.0965,NCCCNCCSP(=O)(O)O,AMIFOSTINE,Inactive
+1.09675,CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C,FINASTERIDE,Inactive
+1.09685,CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,DIETHYLCARBAMAZINE CITRATE,Inactive
+1.09705,CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,INDOPROFEN,Inactive
+1.097245,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,PHLORIDZIN,Inactive
+1.0977,O=C(CCCl)NCc1ccccc1,BECLAMIDE,Inactive
+1.0979,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,BROMOPRIDE,Inactive
+1.0981,NCCS(=O)(=O)O,TAURINE,Inactive
+1.0981,COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)ccc1O,CURCUMIN,Inactive
+1.0981,CC1C2CCC3C4CC=C5CC(N(C)C)CCC5(C)C4CCC32CN1C,CONESSINE,Inactive
+1.09825,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,PREGNENOLONE,Inactive
+1.09885,COC1C=CC23c4cc5c(cc4CN(CC2O)C3C1)OCO5,CRINAMINE,Inactive
+1.09885,CC12CCCC(O)(C1)C1CC(C)(C)C1CC2,beta-CARYOPHYLLENE ALCOHOL,Inactive
+1.09895,O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I,IOVERSOL,Inactive
+1.09895,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,CHLORQUINALDOL,Inactive
+1.09897,CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1.O=C(O)C=CC(=O)O,ERGONOVINE MALEATE,Inactive
+1.09905,OCCc1ccccc1,PHENYLETHYL ALCOHOL,Inactive
+1.09905,Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O,CARMINIC ACID,Inactive
+1.0991,O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O,4-NAPHTHALIMIDOBUTYRIC ACID,Inactive
+1.09915,CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O,AMOXICILLIN,Inactive
+1.09915,CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C,USNIC ACID,Inactive
+1.0993,Nc1ccn(C2CCC(CO)O2)c(=O)n1,ZALCITABINE,Inactive
+1.09935,CC(=O)Nc1nnc(S(N)(=O)=O)s1,ACETAZOLAMIDE,Inactive
+1.0994,CCCCCOC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F,CAPECITABINE,Inactive
+1.0995,Cc1cccc(Cc2c[nH]cn2)c1C.Cl,DETOMIDINE HYDROCHLORIDE,Inactive
+1.09965,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)([O-])[O-].CC[NH+](CC)CC.CC[NH+](CC)CC,HYDROCORTISONE PHOSPHATE TRIETHYLAMINE,Inactive
+1.09965,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],OXACILLIN SODIUM,Inactive
+1.09965,C1CCc2nnnn2CC1,PENTYLENETETRAZOL,Inactive
+1.10005,O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1,TRIFLUMURON,Inactive
+1.1001,C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C,NORETHINDRONE ACETATE,Inactive
+1.1008,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],BETAMETHASONE SODIUM PHOSPHATE,Inactive
+1.10085,COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1,METHYL TRIMETHOXYCINNAMATE,Inactive
+1.10175,CNCCCC1c2ccccc2C=Cc2ccccc21.Cl,PROTRYPTYLINE HYDROCHLORIDE,Inactive
+1.102245,CC1(C)SC2C(NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+],CARBENICILLIN DISODIUM,Inactive
+1.1025,CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,BENFOTIAMINE,Inactive
+1.10255,O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O,HEMATEIN,Inactive
+1.1026,C=CCc1ccc(O)c(OC)c1,EUGENOL,Inactive
+1.102615,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,CHRYSIN,Inactive
+1.10275,CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.Cl,BAMBUTEROL HYDROCHLORIDE,Inactive
+1.10305,CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2],ACAMPROSATE CALCIUM,Inactive
+1.10345,CN1C(=O)CC(C)(c2ccccc2)C1=O,METHSUXIMIDE,Inactive
+1.10365,CCN(CC)C(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1,ENTACAPONE,Inactive
+1.1037,Nc1ccc(C(=O)[O-])c(O)c1.[Na+],AMINOSALICYLATE SODIUM,Inactive
+1.10375,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,ORNIDAZOLE,Inactive
+1.104,O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,SUCCINYLSULFATHIAZOLE,Inactive
+1.10405,NC(=O)c1cccnc1,NIACINAMIDE,Inactive
+1.104135,CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl,CYPROHEPTADINE HYDROCHLORIDE,Inactive
+1.1042,CN1CCCN=C1C=Cc1cccc(O)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,OXANTEL PAMOATE,Inactive
+1.1044,OC1C(O)C(O)C(O)C(O)C1O,INOSITOL,Inactive
+1.10445,OCc1c[nH]c2ccccc12,INDOLE-3-CARBINOL,Inactive
+1.1049,CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2,ZALTOPROFEN,Inactive
+1.10495,Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-],TOLONIUM CHLORIDE,Inactive
+1.1053,CCC1(CC)C(=O)C=CNC1=O,PYRITHYLDIONE,Inactive
+1.10535,CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C,TETRAHYDROCORTISONE-21-ACETATE,Inactive
+1.10545,CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,"1,2alpha-EPOXYDEACETOXYDIHYDROGEDUNIN",Inactive
+1.1057,C=C(C)C1COc2cc3oc(=O)ccc3cc2O1,OBLIQUIN,Inactive
+1.1058,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC,DEMETHYLNOBILETIN,Inactive
+1.1062,CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,METHYLDOPA,Inactive
+1.1064,C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5.Cl,NALOXONE HYDROCHLORIDE,Inactive
+1.10645,CCNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O.O=S(=O)(O)O.O=S(=O)(O)O,NETILMICIN SULFATE,Inactive
+1.1069,O=C(O)CCCCC1CCSS1,THIOCTIC ACID,Inactive
+1.1072,CCCNC(C)C(=O)Nc1ccccc1C.Cl,PRILOCAINE HYDROCHLORIDE,Inactive
+1.1072,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O,EMEDASTINE DIFUMARATE,Inactive
+1.1077,COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,ACACETIN,Inactive
+1.10795,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1,TENATOPRAZOLE,Inactive
+1.10795,NCCCNCCCCNCCCN,SPERMINE,Inactive
+1.108,COc1c(Cl)c(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1Cl,DICHLOROEVERNIC ACID,Inactive
+1.1081,CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.Cl,FENDILINE HYDROCHLORIDE,Inactive
+1.10815,COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2,DEHYDRODEGUELIN,Inactive
+1.10875,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C,FLUDROCORTISONE ACETATE,Inactive
+1.10875,Br.CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2,HOMATROPINE HYDROBROMIDE,Inactive
+1.10875,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.Cl,MOLINDONE HYDROCHLORIDE,Inactive
+1.10885,O=c1[n-]c(=O)n(Cl)c(=O)n1Cl.[Na+],TROCLOSENE SODIUM,Inactive
+1.10895,NC(=O)c1ccc([N+](=O)[O-])cc1Cl,AKLOMIDE,Inactive
+1.10915,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12,GOSSYPETIN,Inactive
+1.10925,CC1CCCC(C)N1,NANOFIN,Inactive
+1.1094,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,VERBENALIN,Inactive
+1.1095,CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,SOLANESYL ACETATE,Inactive
+1.10975,Br.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)C1,DARIFENACIN HYDROBROMIDE,Inactive
+1.10985,CCNC1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl,DORZOLAMIDE,Inactive
+1.1099,CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12,CARPROFEN,Inactive
+1.11005,COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1O,KOPARIN,Inactive
+1.11015,O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,SULFASALAZINE,Inactive
+1.1102,OCC(O)CN1CCN(c2ccccc2)CC1,DROPROPIZINE,Inactive
+1.11025,CC(=O)OCC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C,DEFLAZACORT,Inactive
+1.11045,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O,PALIPERIDONE,Inactive
+1.11045,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,PIPAMPERONE,Inactive
+1.11045,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(OC)c1)C2=O,DEOXYSAPPANONE B TRIMETHYL ETHER,Inactive
+1.1105,O=C(O)c1cc(-c2ccccc2)nc2ccccc12,CINCHOPHEN,Inactive
+1.11055,CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.O=S(=O)(O)O,STREPTOMYCIN SULFATE [5mM; 10% aq DMSO + 5mM ethanolamine],Inactive
+1.1107,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O,DIOSMIN,Inactive
+1.11105,Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,BRAZILIN,Inactive
+1.1112,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,alpha-TOCHOPHEROL [4 mM],Inactive
+1.11145,CC1(C)CCCC2(C)C1CCC1(C)OCCC12,AMBROXIDE (-),Inactive
+1.11195,CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O,ESTRONE,Inactive
+1.11195,O=c1c2ccccc2oc2ccc(O)cc12,2-HYDROXYXANTHONE,Inactive
+1.1121,COc1ccccc1OCC(O)CO,GUAIFENESIN,Inactive
+1.1122,NCCCC(O)(P(=O)(O)O)P(=O)(O)O.O.O.O.[Na+],ALENDRONATE SODIUM TRIHYDRATE,Inactive
+1.11245,CC1(C)C(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,DEACETOXY-7-OXOGEDUNIN,Inactive
+1.1126,OCC1OC(O)(CO)C(O)C1O,D-(-)-FRUCTOSE ,Inactive
+1.1126,CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C,MADECASSIC ACID,Inactive
+1.1129,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,BIOCHANIN A,Inactive
+1.1131,O=C([O-])CCCO.[Na+],SODIUM OXYBATE,Inactive
+1.1135,CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1,CANDICIDIN,Inactive
+1.11375,CSCCC(N)C(=O)O,METHIONINE (L),Inactive
+1.11403,C#CC1(O)CCC2C3CCC4=Cc5oncc5CC4(C)C3CCC21C,DANAZOL,Inactive
+1.1142,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,AMINOGLUTETHIMIDE,Inactive
+1.1142,CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12,SPIRONOLACTONE,Inactive
+1.11425,CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1,TRIAMCINOLONE ACETONIDE,Inactive
+1.11455,CC(=O)Nc1ccc(O)cc1,ACETAMINOPHEN,Inactive
+1.1147,COc1c2ccoc2cc2oc(=O)ccc12,BERGAPTEN,Inactive
+1.1148,CCCCOC(=O)c1ccccc1C(=O)OCCCC,DIBUTYL PHTHALATE,Inactive
+1.11495,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,MOGUISTEINE,Inactive
+1.11545,CCN(CC)C(=O)c1ccc(O)c(OC)c1,ETHAMIVAN,Inactive
+1.11555,COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2,TETRAHYDROPALMATINE,Inactive
+1.1156,O=NN(CCCl)C(=O)NCCCl,CARMUSTINE,Inactive
+1.1156,NCC1CCC(C(=O)O)CC1,TRANEXAMIC ACID,Inactive
+1.1157,Cl.ClCCN(CCCl)CCCl,TRICHLORMETHINE HYDROCHLORIDE,Inactive
+1.11585,Cc1ncc([N+](=O)[O-])n1CCO,METRONIDAZOLE,Inactive
+1.11615,CC(=O)NS(=O)(=O)c1ccc(N)cc1,SULFACETAMIDE,Inactive
+1.11645,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,METOLAZONE,Inactive
+1.1165,CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,IPRIFLAVONE,Inactive
+1.11655,O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,NIFURSOL,Inactive
+1.11775,Cl.NC12CC3CC(CC(C3)C1)C2,AMANTADINE HYDROCHLORIDE,Inactive
+1.1178,NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,FUROSEMIDE,Inactive
+1.1178,Nc1nccs1,AMINOTHIAZOLE,Inactive
+1.11785,C#CCN(C)Cc1ccccc1.Cl,PARGYLINE HYDROCHLORIDE,Inactive
+1.1179,O=C(O)c1cc(O)c(O)c(O)c1,GALLIC ACID,Inactive
+1.118,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,PENTOXIFYLLINE,Inactive
+1.1182,CC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O,FORMESTANE,Inactive
+1.1183,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl,TIAPRIDE HYDROCHLORIDE,Inactive
+1.11845,Cl.Cl.NCCNCCNCCN,TRIENTINE HYDROCHLORIDE,Inactive
+1.1186,CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)[O-].[Na+],PANGAMIC ACID SODIUM,Inactive
+1.119,O=c1[nH]cnc2[nH]ncc12,ALLOPURINOL,Inactive
+1.119,Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,TANSHINONE IIA,Inactive
+1.11925,COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2,MYCOPHENOLIC ACID,Inactive
+1.11995,O=C1C=C2CC3(O)COc4cc(O)ccc4C3=C2C=C1O,BRAZILEIN,Inactive
+1.12,CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1,DIMPYLATE,Inactive
+1.12015,NCC(O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O,NOREPINEPHRINE TARTRATE,Inactive
+1.12025,COc1ccc(C(=O)N2CCCC2=O)cc1,ANIRACETAM,Inactive
+1.1203,O=C(O)CCCCCCCC(=O)O,AZELAIC ACID,Inactive
+1.12045,COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)CC12,"7-OXOCALLITRISIC ACID, METHYL ESTER",Inactive
+1.1205,Cl.c1ccc2c(CC3=NCCN3)cccc2c1,NAPHAZOLINE HYDROCHLORIDE,Inactive
+1.1205,CN1C2CCC1CC(O)C2,TROPINE,Inactive
+1.12055,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,MORIN,Inactive
+1.12075,COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1,"3,4',5,6,7-PENTAMETHOXYFLAVONE",Inactive
+1.1215,Cl.O=C(O)C=Cc1ccc(Cn2ccnc2)cc1,OZAGREL HYDROCHLORIDE,Inactive
+1.1217,CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O,FUSIDIC ACID,Inactive
+1.1218,COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC,ITOPRIDE  HYDROCHLORIDE,Inactive
+1.1219,NC(CO)(CO)CO,TROMETHAMINE,Inactive
+1.12195,c1coc(CNc2ncnc3[nH]cnc23)c1,KINETIN,Inactive
+1.1224,O.O.OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,TREHALOSE DIHYDRATE,Inactive
+1.12305,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,DIPHENHYDRAMINE HYDROCHLORIDE,Inactive
+1.1237,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl,DIBUCAINE HYDROCHLORIDE,Inactive
+1.12375,C[N+](C)(C)CCOC(N)=O.[Cl-],CARBACHOL,Inactive
+1.1238,COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl,MIDODRINE HYDROCHLORIDE,Inactive
+1.1238,COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1.Cl,DILTIAZEM HYDROCHLORIDE,Inactive
+1.12425,CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,IOHEXOL,Inactive
+1.12435,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(Cl)CC21C,DICHLORISONE ACETATE,Inactive
+1.1244,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,SOLANESOL,Inactive
+1.12445,COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC,CAPOBENIC ACID,Inactive
+1.12465,Cc1cc(O)cc(=O)o1,4-HYDROXY-6-METHYLPYRAN-2-ONE,Inactive
+1.12495,CS(=O)(=O)O.OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1,PRIDINOL METHANESULFONATE,Inactive
+1.1251,ClC=C(Cl)Cl,TRICHLOROETHYLENE,Inactive
+1.12525,CC1CCC(NC(=O)N(CCCl)N=O)CC1,SEMUSTINE,Inactive
+1.1254,Cl.NCCCCCC(=O)O,AMINOCAPROIC ACID HYDROCHLORIDE,Inactive
+1.1259,CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CYCLIZINE,Inactive
+1.12595,Cl.OC1CCCCC1N1CCC(c2ccccc2)CC1,VESAMICOL HYDROCHLORIDE,Inactive
+1.12605,CC[N+](C)(C)c1cccc(O)c1.[Cl-],EDROPHONIUM CHLORIDE,Inactive
+1.1264,O=C(O)CSCC(=O)NC1CCSC1=O,ERDOSTEINE,Inactive
+1.12665,O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,ROXARSONE,Inactive
+1.12685,CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,DIGOXIN,Inactive
+1.1269,O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],DICLOFENAC SODIUM,Inactive
+1.1269,C[N+](C)(C)CC(O)CC(=O)O.[Cl-],CARNITINE (dl) HYDROCHLORIDE,Inactive
+1.12705,CC(=O)c1ccc[nH]1,2-ACETYLPYRROLE,Inactive
+1.1271,CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2.Cl,TROPISETRON HYDROCHLORIDE,Inactive
+1.1273,Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O,LENALIDOMIDE,Inactive
+1.12775,CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)C1=O,TADALAFIL,Inactive
+1.1278,CCC(C)(C)c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1.Cl,AMOROLFINE HYDROCHLORIDE,Inactive
+1.1285,Cc1cc(C)cc(OCC2CNC(=O)O2)c1,METAXALONE,Inactive
+1.1289,Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)C(C)CO1,DIHYDROTANSHINONE I,Inactive
+1.12895,Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,DICHLORODIPHENYLTRICHLOROETHANE,Inactive
+1.12905,CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,QUINETHAZONE,Inactive
+1.12915,CC(C)(CO)C(O)C(=O)NCCCO,DEXPANTHENOL,Inactive
+1.12995,O=C([O-])C(O)C(O)C(O)C(O)C(O)CO.O=C([O-])C(O)C(O)C(O)C(O)C(O)CO.[Ca+2],CALCIUM GLUCEPTATE,Inactive
+1.13015,CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,SMILAGENIN ACETATE,Inactive
+1.13045,CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,ACEDAPSONE,Inactive
+1.1307,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,PYRITINOL,Inactive
+1.13095,CN1CCCN=C1C=Cc1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,PYRANTEL PAMOATE,Inactive
+1.13125,CC(C)C(N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21.Cl,VALGANCICLOVIR HYDROCHLORIDE,Inactive
+1.1315,Nc1nc(=O)c2c(CCc3ccc(C(=O)NC(CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1.[Na+].[Na+],PEMETREXED,Inactive
+1.13155,CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C,TINIDAZOLE,Inactive
+1.13195,CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,beta-AMYRIN,Inactive
+1.132,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],BETHANECHOL CHLORIDE,Inactive
+1.13275,Nc1ccncc1,FAMPRIDINE,Inactive
+1.1331,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C,FLUMETHAZONE PIVALATE,Inactive
+1.13335,CNC(=O)Oc1ccccc1OC(C)C,PROPOXUR,Inactive
+1.134,Cc1c(-c2cnccn2)ssc1=S,OLTIPRAZ,Inactive
+1.1345,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl,DRONEDARONE HYDROCHLORIDE,Inactive
+1.13485,C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)C(=CC)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O,THIOSTREPTON,Inactive
+1.1355,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,MELOXICAM,Inactive
+1.1356,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,DIPYRIDAMOLE,Inactive
+1.13565,CCC12CCCN3CCc4c(n(c5ccccc45)C(O)(C(=O)OC)C1)C32,VINCAMINE,Inactive
+1.13575,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,CHLOROQUINE DIPHOSPHATE,Inactive
+1.13575,Cl.NC1=NCC2c3ccccc3Cc3ccccc3N12,EPINASTINE HYDROCHLORIDE,Inactive
+1.13695,Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CLORSULON,Inactive
+1.13705,CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O.Cl.Cl,ITRACONAZOLE HYDROCHLORIDE,Inactive
+1.1372,CNC(C)C(O)c1ccccc1.Cl,"EPHEDRINE (1R,2S) HYDROCHLORIDE",Inactive
+1.13725,Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1.[Cl-],CYANIDIN CHLORIDE,Inactive
+1.1374,COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl,VENLAFAXINE HYDROCHLORIDE,Inactive
+1.13745,CCOc1cc(NC(C)=O)ccc1C(=O)OC,ETHOPABATE,Inactive
+1.1375,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1,TRIADIMEFON,Inactive
+1.13755,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(C(O)C(=O)OC)C12C,METHYL 6-HYDROXYANGOLENSATE,Inactive
+1.1376,CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O,GRAYANOTOXIN I,Inactive
+1.13785,O=C1C2CC3CC1CC(O)(C3)C2,IDRAMANTONE,Inactive
+1.1381,CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO,CORTEXOLONE,Inactive
+1.13815,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,PHLORETIN,Inactive
+1.1389,CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,LOXOPROFEN,Inactive
+1.13945,CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O,NATAMYCIN,Inactive
+1.13955,Cl[Ca]Cl,CALCIUM CHLORIDE,Inactive
+1.1396,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(COC(=O)C=CC(=O)O)c(O)c(C(=O)O)c(C)c1O2,FUMARPROTOCETRARIC ACID,Inactive
+1.13965,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl,DICYCLOMINE HYDROCHLORIDE,Inactive
+1.14,Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,TORSEMIDE,Inactive
+1.14035,Oc1ccc(O)cc1,HYDROQUINONE,Inactive
+1.14085,CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,QUERCITRIN,Inactive
+1.1409,CC(=O)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)O)CCC4(C)C3CCC12C,PREGNENOLONE SUCCINATE,Inactive
+1.14195,COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,SULFAMETER,Inactive
+1.1427,O=C1c2ccccc2C(=O)c2c1ccc(O)c2O,ALIZARIN,Inactive
+1.143,C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)C,ERGOCALCIFEROL,Inactive
+1.1431,OCc1ccccc1O,SALICYL ALCOHOL,Inactive
+1.1433,CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O,NICOTINE BITARTRATE,Inactive
+1.14345,CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C.O=C(O)c1ccccc1O,PHYSOSTIGMINE SALICYLATE,Inactive
+1.1438,CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C,alpha-HYDROXYDEOXYCHOLIC ACID,Inactive
+1.144,CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,beta-LAPACHONE,Inactive
+1.14425,O=C(O)CCCCCCCC(O)C(O)CCCCCCO,ALEURETIC ACID,Inactive
+1.1446,CCOc1ccc(NC(C)=O)cc1,PHENACETIN,Inactive
+1.14475,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O,DESVENLAFAXINE SUCCINATE,Inactive
+1.14495,CCC(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C,SITOSTERYL ACETATE,Inactive
+1.14505,C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccc(OC)cc1,"4,4'-DIMETHOXYDALBERGIONE",Inactive
+1.1455,COc1cc2c(cc1O)CCNC2C,SALSOLINE,Inactive
+1.1456,CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C,DIHYDROGEDUNIN,Inactive
+1.1458,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,KHIVORIN,Inactive
+1.14595,Cc1nc(C)c(Cl)c(O)c1Cl,CLOPIDOL,Inactive
+1.14675,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl,ROXATIDINE ACETATE HYDROCHLORIDE,Inactive
+1.14685,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,ADEFOVIR DIPIVOXYL,Inactive
+1.14755,Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1,QUINOXYFEN,Inactive
+1.14785,O=c1cc[nH]c(=O)[nH]1,URACIL,Inactive
+1.14835,C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C,NORETHYNODREL,Inactive
+1.1487,CC1(C)SC2C(NC(=O)C(C(=O)[O-])c3ccsc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+],TICARCILLIN DISODIUM,Inactive
+1.14895,CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,MEVASTATIN,Inactive
+1.149,CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,CYPROTERONE,Inactive
+1.14915,NC(=O)c1ccccc1O,SALICYLAMIDE,Inactive
+1.1503,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,SULFADIMETHOXINE,Inactive
+1.15045,CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O,CONVALLATOXIN,Inactive
+1.15085,CN(C)c1nc(N(C)C)nc(N(C)C)n1,ALTRETAMINE,Inactive
+1.15155,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,GLIPIZIDE,Inactive
+1.15185,CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2=Cc1ccc(Cl)cc1,LUMEFANTRINE,Inactive
+1.1519,COc1ccc(-c2coc3cc(O)ccc3c2=O)c(OC)c1OC,"KOPARIN 2,3-DIMETHYL ETHER",Inactive
+1.1521,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl,METOCLOPRAMIDE HYDROCHLORIDE,Inactive
+1.15235,CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-],GALLAMINE TRIETHIODIDE,Inactive
+1.1529,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,HYDROFLUMETHIAZIDE,Inactive
+1.1529,CC(O)C(=O)[O-].[NH4+],AMMONIUM LACTATE,Inactive
+1.153,CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,SIMVASTATIN,Inactive
+1.1532,C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC,LEVONORGESTREL,Inactive
+1.1535,CCCN1CC(CSC)CC2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O,PERGOLIDE MESYLATE,Inactive
+1.15495,CNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-].[Gd],GADODIAMIDE,Inactive
+1.15525,CC(=O)OC1CC2C(C)(C)C=CCC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C,"3,4-DEHYDRO-1,2-DIHYDRO-3-DESOXO-GEDUNIN",Inactive
+1.15605,COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O,TENIPOSIDE,Inactive
+1.1573,O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,DOMPERIDONE,Inactive
+1.15745,O=S(=O)(OCC1OC(OC2(COS(=O)(=O)O[AlH3](O)O)OC(COS(=O)(=O)O[AlH3](O)O)C(OS(=O)(=O)O[AlH3](O)O)C2OS(=O)(=O)O[AlH3](O)O)C(OS(=O)(=O)O[AlH3](O)O)C(OS(=O)(=O)O[AlH3](O)O)C1OS(=O)(=O)O[AlH3](O)O)O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O,SUCRALFATE [5mM],Inactive
+1.1582,OCC1(O)OCC(O)C(O)C1O,TAGATOSE,Inactive
+1.1583,CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1.Cl.Cl,CAMYLOFINE DIHYDROCHLORIDE,Inactive
+1.1584,CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C,beta-AMYRIN ACETATE,Inactive
+1.1587,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,ADENOSINE,Inactive
+1.15885,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,OXAPROZIN,Inactive
+1.159,CC1(C)C(=O)C=CC2(C)C1C=CC1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC312,"7-DESACETOXY-6,7-DEHYDROGEDUNIN",Inactive
+1.15935,CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I,ACETRIAZOIC ACID,Inactive
+1.16035,Nc1ccc(C(=O)NCC(=O)O)cc1,AMINOHIPPURIC ACID,Inactive
+1.16115,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,ISOFLUPREDONE ACETATE,Inactive
+1.16255,CCOCCOc1ccccc1C(N)=O,ETOSALAMIDE,Inactive
+1.16535,CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,FLUOCINONIDE,Inactive
+1.1655,CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1,BEMOTRIZINOL,Inactive
+1.1656,Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C.Cl,RAMIFENAZONE,Inactive
+1.1656,CC(=O)Nc1ccc(CC(=O)O)cc1,ACTARIT,Inactive
+1.16565,O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,HYDROXYZINE PAMOATE,Inactive
+1.16685,CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)C=CC(=O)O,ACETOPHENAZINE MALEATE,Inactive
+1.16685,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,MANIDIPINE HYDROCHLORIDE,Inactive
+1.16725,CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc([O-])n2)cc1.[K+],AZILSARTAN MEDOXOMIL,Inactive
+1.1677,CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,STIGMASTEROL,Inactive
+1.16815,COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O,METOPROLOL TARTRATE,Inactive
+1.1698,CNCC(O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O,EPINEPHRINE BITARTRATE,Inactive
+1.17,O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+],LITHIUM CITRATE HYDRATE,Inactive
+1.1712,CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl,ADIPHENINE HYDROCHLORIDE,Inactive
+1.172,Cl.NC(N)=NC(N)=NCCc1ccccc1,PHENFORMIN HYDROCHLORIDE,Inactive
+1.17255,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-],OXYPHENONIUM BROMIDE,Inactive
+1.17265,NC(=O)CS(=O)C(c1ccccc1)c1ccccc1,ARMODAFINIL,Inactive
+1.1741,CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-],IPRATROPIUM BROMIDE,Inactive
+1.1742,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1,DIFLUBENZURON,Inactive
+1.17425,COC(=O)c1c(C)c2c(c(C)c1OC)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2,LEOIDIN DIMETHYL ETHER,Inactive
+1.17455,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,FASUDIL HYDROCHLORIDE,Inactive
+1.17585,COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1,FLUBENDAZOLE,Inactive
+1.1762,Cc1cccc(C)c1NC(=O)C1CCCCN1C.Cl,MEPIVACAINE HYDROCHLORIDE,Inactive
+1.1762,CC(C)C1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)CC1,NATEGLINIDE,Inactive
+1.1766,CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12,METHYLPREDNISOLONE,Inactive
+1.1768,NC(=O)N1c2ccccc2CC(=O)c2ccccc21,OXCARBAZEPINE,Inactive
+1.1768,O=C1CCCC2C3CC(CN12)C1CCCCN1C3.[O-][Cl+3]([O-])([O-])O,LUPANINE PERCHLORATE,Inactive
+1.1771,CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl,QUINACRINE HYDROCHLORIDE,Inactive
+1.1776,COc1ccc2cc(C(C)C(=O)O)ccc2c1,NAPROXEN,Inactive
+1.178,CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC1CCCC1,ESTRADIOL CYPIONATE,Inactive
+1.1784,CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O.O=S(=O)(O)O,SISOMICIN SULFATE,Inactive
+1.17855,COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC,HEXAMETHYLQUERCETAGETIN,Inactive
+1.1787,COc1cc(CC=Cc2ccccc2)c(OC)cc1O,VIOLASTYRENE,Inactive
+1.17945,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,GEMFIBROZIL,Inactive
+1.1796,CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,NILUTAMIDE,Inactive
+1.18045,O=C(CCCCCCC(=O)Nc1ccccc1)NO,VORINOSTAT,Inactive
+1.18075,CCOc1ccc2ccccc2c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],NAFCILLIN SODIUM,Inactive
+1.18105,COc1ccc2cc(CCC(C)=O)ccc2c1,NABUMETONE,Inactive
+1.18135,FC(F)(F)COCC(F)(F)F,FLUROTHYL,Inactive
+1.18165,CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,IOTHALAMIC ACID,Inactive
+1.1817,NC(=O)CCCCC1CCSS1,LIPOAMIDE,Inactive
+1.18235,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,HYDROXYCHLOROQUINE SULFATE,Inactive
+1.1837,CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O,SERATRODAST,Inactive
+1.1839,CC(=O)OCC[N+](C)(C)C.[Cl-],ACETYLCHOLINE CHLORIDE,Inactive
+1.18395,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC21CCC(=O)O1,CANRENONE,Inactive
+1.1846,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl,LUFENURON,Inactive
+1.1854,CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl,ROPINIROLE HYDROCHLORIDE,Inactive
+1.186,CCCCCC1C(=O)CCC1CC(=O)OC,"DIHYDROJASMONIC ACID, METHYL ESTER",Inactive
+1.18715,CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1,FLUOCINOLONE ACETONIDE,Inactive
+1.1878,Cc1cc(=O)[nH]c(=S)[nH]1,METHYLTHIOURACIL,Inactive
+1.1878,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,CILOSTAZOL,Inactive
+1.18795,CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21.Cl.Cl,EMETINE DIHYDROCHLORIDE,Inactive
+1.19065,Cl.Cl.NCCc1c[nH]cn1,HISTAMINE DIHYDROCHLORIDE,Inactive
+1.1915,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-],NEOSTIGMINE BROMIDE,Inactive
+1.1919,O=C1C(O)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,ATOVAQUONE,Inactive
+1.1924,O=C(O)c1cccnc1,NIACIN,Inactive
+1.1926,Cl.NC1C(O)OC(CO)C(O)C1O,GLUCOSAMINE HYDROCHLORIDE,Inactive
+1.19325,CC(C)n1c(C=CC(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+],FLUVASTATIN SODIUM,Inactive
+1.1941,Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1.O=S(=O)(O)O,ABACAVIR SULFATE,Inactive
+1.1956,CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O,ATROPINE SULFATE,Inactive
+1.1958,FCOC(C(F)(F)F)C(F)(F)F,SEVOFLURANE,Inactive
+1.19725,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,NEFAZODONE HYDROCHLORIDE,Inactive
+1.1991,NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,NEOMYCIN TRISULFATE,Inactive
+1.19955,O=[N+]([O-])OC1COC2C(O)COC12,ISOSORBIDE MONONITRATE,Inactive
+1.1996,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl,FEXOFENADINE HYDROCHLORIDE,Inactive
+1.20025,Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,SULFABENZAMIDE,Inactive
+1.20305,CNC1C(OC2OC(CO)C(N)C(O)C2O)OC2CC(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1O.O=S(=O)(O)O,APRAMYCIN SULFATE,Inactive
+1.20315,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CLOTRIMAZOLE,Inactive
+1.2037,COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC24CCC(=O)O4)C13,EPLERENONE,Inactive
+1.2064,Cl.Clc1cccc(Cl)c1N=C1NCCN1,CLONIDINE HYDROCHLORIDE,Inactive
+1.2084,O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl,DICLORALUREA,Inactive
+1.20955,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,BENDROFLUMETHIAZIDE,Inactive
+1.21185,CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO,ACENEURAMIC ACID,Inactive
+1.2146,CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C,VALSARTAN,Inactive
+1.2167,O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1,IMIDACLOPRID,Inactive
+1.21835,Cl.NCC(=O)CCC(=O)O,AMINOLEVULINIC ACID HYDROCHLORIDE,Inactive
+1.23535,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(OC(C)=O)C(O)C1C(C)(C)CCC(O)C12C,COLFORSIN,Inactive
+1.25165,O=S(=O)([O-])c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+],ANAZOLENE SODIUM,Inactive
+1.27315,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,DAPSONE,Inactive
+2.2632,Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+],EVANS BLUE,Inactive
+2.62745,C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3C=C,PROTOPORPHYRINOGEN IX,Inactive
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