diff --git "a/cache/duvida/d8f8641de56674c6.csv" "b/cache/duvida/d8f8641de56674c6.csv"
deleted file mode 100644--- "a/cache/duvida/d8f8641de56674c6.csv"
+++ /dev/null
@@ -1,1001 +0,0 @@
-id,smiles,inchikey,mwt,clogp,Mean_Inhibition,SMILES,Name,Activity,pmic
-29079421,Cc1cc(O)c(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)cn1,PWAUCHMQEXVFJR-UHFFFAOYSA-N,612.1209371080001,0.3267200000000013,0.041572,Cc1cc(O)c(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)cn1,CEFPIRAMIDE,Active,
-10647039,CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O,JIYMVSQRGZEYAX-UHFFFAOYSA-N,485.1380473279999,0.47000000000000114,0.041876,CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O,GEMIFLOXACIN MESYLATE,Active,
-87493465,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,HFMDLUQUEXNBOP-UHFFFAOYSA-N,1300.7173067399995,-5.897600000000003,0.041916,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,
-10202577,Cl.N=C(N)n1cccn1,RBZRMBCLZMEYEH-UHFFFAOYSA-N,146.035923904,0.04647000000000007,0.041964,Cl.N=C(N)n1cccn1,PRAXADINE HYDROCHLORIDE,Active,
-96854074,Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,WJLVQTJZDCGNJN-UHFFFAOYSA-N,576.1565517440001,5.018880000000002,0.0422955,Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,CHLORHEXIDINE DIHYDROCHLORIDE,Active,
-10739038,CCOC(=O)c1c(C)cc(O)c(C=O)c1O,HUXJGSHUVDWZAM-UHFFFAOYSA-N,224.068473484,1.3954199999999999,0.0424465,CCOC(=O)c1c(C)cc(O)c(C=O)c1O,"HAEMATOMMIC ACID, ETHYL ESTER",Active,
-30143097,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CSC12)c1csc(N)n1.[Na+],AZZMGZXNTDTSME-UHFFFAOYSA-M,477.0388841320001,-4.953199999999996,0.0428185,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CSC12)c1csc(N)n1.[Na+],CEFOTAXIME SODIUM,Active,
-10764059,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,WIIZWVCIJKGZOK-UHFFFAOYSA-N,322.01232684400003,0.9089999999999998,0.0428205,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,CHLORAMPHENICOL,Active,
-84613517,COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,XUBOMFCQGDBHNK-UHFFFAOYSA-N,375.15943440399997,1.9804,0.0431175,COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,GATIFLOXACIN,Active,
-10829486,Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1.[Na+],FLKYBGKDCCEQQM-UHFFFAOYSA-M,476.0119581760002,-4.966779999999997,0.043289,Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1.[Na+],CEFAZOLIN SODIUM,Active,
-39011149,O=C1C=C2C(=CCOC2O)O1,ZRWPUFFVAOMMNM-UHFFFAOYSA-N,154.026608672,-0.2979000000000001,0.043393,O=C1C=C2C(=CCOC2O)O1,PATULIN,Active,
-57585884,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.[Na+],VUFGUVLLDPOSBC-UHFFFAOYSA-M,418.02692248000005,-3.738399999999995,0.0434565,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.[Na+],CEPHALOTHIN SODIUM,Active,
-66612692,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,MQTOSJVFKKJCRP-UHFFFAOYSA-N,748.5085257439999,1.9007000000000054,0.0435055,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,
-43925741,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1,NJCJBUHJQLFDSW-UHFFFAOYSA-N,363.105290656,1.6963,0.043565,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1,RUFLOXACIN HYDROCHLORIDE,Active,
-10449735,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1.[Cl-],MMRINLZOZVAPDZ-UHFFFAOYSA-N,516.1016375800001,-2.941199999999996,0.0436985,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1.[Cl-],CEFEPIME HYDROCHLORIDE,Active,
-94790366,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,PWNMXPDKBYZCOO-UHFFFAOYSA-N,461.10568458,2.639820000000001,0.0437805,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,PRULIFLOXACIN,Active,
-67656018,CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)O)C(O)C(O)C3N)C2O)OCC1(C)O,BRZYSWJRSDMWLG-UHFFFAOYSA-N,496.2744434799999,-5.612999999999998,0.043797,CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)O)C(O)C(O)C3N)C2O)OCC1(C)O,GENETICIN,Active,
-52044757,Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,BMACYHMTJHBPOX-UHFFFAOYSA-N,401.070925016,2.7863000000000016,0.0438055,Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,CLINAFOXACIN HYDROCHLORIDE,Active,
-10967893,Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O.Cl,XZVKOMOTDZLLDN-UHFFFAOYSA-N,406.123024656,2.9561200000000007,0.043984,Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O.Cl,TELENZEPINE HYDROCHLORIDE,Active,
-80015098,O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CSC2C(NC(=O)C(O)c3ccccc3)C(=O)N12.[Na+].[Na+],NAXFZVGOZUWLEP-UHFFFAOYSA-L,585.9987130320001,-8.586600000000008,0.043985,O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CSC2C(NC(=O)C(O)c3ccccc3)C(=O)N12.[Na+].[Na+],CEFONICID SODIUM,Active,
-84632098,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,IEDVJHCEMCRBQM-UHFFFAOYSA-N,290.13789043599996,1.2575999999999998,0.044023,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,TRIMETHOPRIM,Active,
-44861161,CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,HVRLZEKDTUEKQH-UHFFFAOYSA-N,373.14447130799994,4.011300000000004,0.044173,CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,OLOPATADINE HYDROCHLORIDE,Active,
-36685547,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,XBJBPGROQZJDOJ-UHFFFAOYSA-N,369.130026096,1.6991999999999998,0.044175,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,FLEROXACIN,Active,
-95413871,CC1(C)SC2C(N3C(=O)C(c4ccccc4)NC3(C)C)C(=O)N2C1C(=O)[O-].[K+],QRSPJBLLJXVPDD-UHFFFAOYSA-M,427.09680886399997,-2.9195999999999955,0.0443235,CC1(C)SC2C(N3C(=O)C(c4ccccc4)NC3(C)C)C(=O)N2C1C(=O)[O-].[K+],HETACILLIN POTASSIUM,Active,
-17206037,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,NLVFBUXFDBBNBW-UHFFFAOYSA-N,467.25912776399997,-6.295799999999999,0.044455,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,TOBRAMYCIN,Active,
-71564820,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,XEFQLINVKFYRCS-UHFFFAOYSA-N,287.951162504,5.144700000000002,0.0446025,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,TRICLOSAN,Active,
-74564994,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1.Cl,KEQFDTJEEQKVLM-UHFFFAOYSA-N,559.005688596,1.4027999999999996,0.04471,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1.Cl,CEFTIOFUR HYDROCHLORIDE,Active,
-25772369,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,GSDSWSVVBLHKDQ-UHFFFAOYSA-N,361.14378433999997,1.5439999999999998,0.0447265,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,OFLOXACIN,Active,
-11221274,COC1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21,SRZNHPXWXCNNDU-UHFFFAOYSA-N,575.0021445040002,-1.3974999999999984,0.0447805,COC1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21,CEFOTETAN,Active,
-59047210,Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O,HBOMLICNUCNMMY-UHFFFAOYSA-N,267.096753896,-0.19628000000000012,0.0448905,Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O,ZIDOVUDINE [AZT],Active,
-46829311,CC(N)O.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1,JUAUJJPBJGQPET-UHFFFAOYSA-N,298.22564282,2.2922200000000004,0.044898,CC(N)O.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1,PIROCTONE OLAMINE,Active,
-78269705,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,SPFYMRJSYKOXGV-UHFFFAOYSA-N,359.16451978400005,2.3156,0.044921,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,ENROFLOXACIN,Active,
-95241970,NCc1ccccc1CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CSC12,SLAYUXIURFNXPG-UHFFFAOYSA-N,519.099473392,-0.7101999999999984,0.045326,NCc1ccccc1CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CSC12,CEFORANIDE,Active,
-48411103,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23,DPSPPJIUMHPXMA-UHFFFAOYSA-N,261.080121464,2.346,0.0455115,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23,FLUMEQUINE,Active,
-10408082,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O,HQQSBEDKMRHYME-UHFFFAOYSA-N,429.13698470799994,1.1145000000000003,0.045535,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O,PEFLOXACIN MESYLATE,Active,
-37644530,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,OGJPXUAPXNRGGI-UHFFFAOYSA-N,319.133219656,1.2683,0.0456015,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,NORFLOXACIN,Active,
-70553699,Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,KNWODGJQLCISLC-UHFFFAOYSA-N,421.100475556,2.7985000000000007,0.04564,Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,SARAFLOXACIN HYDROCHLORIDE,Active,
-11472215,O=C(Cn1cnnn1)NC1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CSC12,DZMVCVMFETWNIU-UHFFFAOYSA-N,440.0143638640001,-0.9444999999999995,0.0457185,O=C(Cn1cnnn1)NC1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CSC12,CEFTEZOLE,Active,
-68769304,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,PLHJDBGFXBMTGZ-UHFFFAOYSA-N,225.038570324,0.9739,0.045735,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,FURAZOLIDONE,Active,
-10523146,COC1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CSC21.[Na+],BITQGIOJQWZUPL-UHFFFAOYSA-M,493.0272738920001,-5.059019999999996,0.0458265,COC1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CSC21.[Na+],CEFMETAZOLE SODIUM,Active,
-75771018,COc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl,IDIIJJHBXUESQI-UHFFFAOYSA-N,437.15176218,2.7923000000000004,0.045905,COc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl,MOXIFLOXACIN HYDROCHLORIDE,Active,
-25505258,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O,GCFBRXLSHGKWDP-UHFFFAOYSA-N,645.1424008240001,-1.1119999999999965,0.0459905,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O,CEFOPERAZONE,Active,
-63210426,Nc1c2ccccc2nc2ccccc12,XJGFWWJLMVZSIG-UHFFFAOYSA-N,194.08439832,2.970200000000001,0.0461185,Nc1c2ccccc2nc2ccccc12,AMINACRINE,Active,
-46666388,O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1,NXFQHRVNIOXGAQ-UHFFFAOYSA-N,238.033819292,0.07349999999999995,0.046195,O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1,NITROFURANTOIN,Active,
-10630271,CC1CCC2(C)C(C=O)=CCCC2C1(C)CC1OC(O)C(=O)C12CO2,TYEWCIUNKYTNGK-UHFFFAOYSA-N,348.1936739959999,2.4096,0.046245,CC1CCC2(C)C(C=O)=CCCC2C1(C)CC1OC(O)C(=O)C12CO2,CLEROCIDIN,Active,
-70019855,CS(=O)(=O)c1ccc(C(O)C(CF)NC(=O)C(Cl)Cl)cc1,AYIRNRDRBQJXIF-UHFFFAOYSA-N,357.000462508,1.3815,0.046256,CS(=O)(=O)c1ccc(C(O)C(CF)NC(=O)C(Cl)Cl)cc1,FLORFENICOL,Active,
-94206297,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1.[Na+],OJMNTWPPFNMOCJ-UHFFFAOYSA-M,484.059953924,-4.556299999999994,0.0463205,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1.[Na+],CEFAMANDOLE SODIUM,Active,
-91316465,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-],QWZLBLDNRUUYQI-UHFFFAOYSA-M,461.306057328,3.384820000000002,0.046349,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-],METHYLBENZETHONIUM CHLORIDE,Active,
-87321960,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC12)c1ccco1.[Na+],URDOHUPGIOGTKV-UHFFFAOYSA-M,446.0508287200001,-4.866699999999996,0.0464255,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC12)c1ccco1.[Na+],CEFUROXIME SODIUM,Active,
-40403588,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+],WCMIIGXFCMNQDS-UHFFFAOYSA-M,539.1450634519999,-4.570999999999993,0.046508,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+],PIPERACILLIN SODIUM,Active,
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-36517038,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.Cl,XMEVHPAGJVLHIG-UHFFFAOYSA-N,480.12994344,0.20740000000000103,0.0522165,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,
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-16794485,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+],LYQBWQQPMNCRCJ-UHFFFAOYSA-I,1734.521973055999,-25.143500000000042,0.0528565,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,
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-61122767,O=[N+]([O-])c1ccc(O)c2ncccc12,RJIWZDNTCBHXAL-UHFFFAOYSA-N,190.037842052,1.8485999999999996,0.0541995,O=[N+]([O-])c1ccc(O)c2ncccc12,NITROXOLINE,Active,
-98104745,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],YDYYFACRFOILLS-UHFFFAOYSA-M,371.295492644,2.753300000000001,0.0543775,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],BENZALKONIUM CHLORIDE HYDRATE,Active,
-52778656,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,VZQARNDJLLWXGL-UHFFFAOYSA-N,478.11429337600003,-0.016099999999999226,0.0546065,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,
-46729776,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,ACGUYXCXAPNIKK-UHFFFAOYSA-N,403.849895512,6.609000000000001,0.0546435,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,HEXACHLOROPHENE,Active,
-57193273,CC(=O)O[Hg]c1ccccc1,XEBWQGVWTUSTLN-UHFFFAOYSA-M,338.023072496,0.8725,0.0564305,CC(=O)O[Hg]c1ccccc1,PHENYLMERCURIC ACETATE,Active,
-52418878,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(O)C3CC12.Cl,GVSJQNRGSCOSNJ-UHFFFAOYSA-N,500.07532102399995,0.6867000000000003,0.0564945,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,
-92347575,CC(=O)Oc1ccc(Cl)c2cccnc12,JSJOTZXJKCXWQC-UHFFFAOYSA-N,221.024356176,2.8135000000000003,0.0572295,CC(=O)Oc1ccc(Cl)c2cccnc12,CHLOROACETOXYQUINOLINE,Active,
-59964348,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,UBDNTYUBJLXUNN-UHFFFAOYSA-N,496.12485805999995,-0.8217999999999985,0.057815,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,
-11486953,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,CBHYYLPALVVVEY-UHFFFAOYSA-N,514.090971088,0.8608000000000005,0.059482,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,
-23655703,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,RUYHIJHUVHIMIR-UHFFFAOYSA-N,480.12994344000003,0.07420000000000038,0.059537,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,
-37902388,CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O.Cl,GLMUAFMGXXHGLU-UHFFFAOYSA-N,493.1615779159999,0.6084,0.0626285,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,
-72717720,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,GSPKOIJAMLDYCY-UHFFFAOYSA-N,681.248699296,-8.601160000000016,0.0643395,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,
-68571504,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC21.[Na+],GNWUOVJNSFPWDD-UHFFFAOYSA-M,449.032736132,-4.232099999999998,0.0688215,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC21.[Na+],CEFOXITIN SODIUM,Active,
-45211830,CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-],YMKDRGPMQRFJGP-UHFFFAOYSA-M,339.269277896,3.4594000000000014,0.071299,CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-],CETYLPYRIDINIUM CHLORIDE,Active,
-15213390,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,WDZCUPBHRAEYDL-UHFFFAOYSA-N,876.4520734880002,5.6482200000000065,0.0718695,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,
-45895501,CCC=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CSC12)c1csc(N)n1.Cl,ALPFRUJYOAKQQR-UHFFFAOYSA-N,603.1224326,1.7797999999999998,0.0724155,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,
-57286400,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,JQXXHWHPUNPDRT-UHFFFAOYSA-N,822.4051232960003,4.335420000000004,0.077718,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,
-14848323,Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.O,SSULTCPIIYRGFQ-UHFFFAOYSA-N,594.1396048,2.4556200000000006,0.0925355,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,
-11449807,CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-],SXPWTBGAZSPLHA-UHFFFAOYSA-M,395.331878152,4.748300000000004,0.093284,CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-],CETALKONIUM CHLORIDE,Active,
-19214834,O=S(=O)(O)O.Oc1cccc2cccnc12,MRUMAIRJPMUAPZ-UHFFFAOYSA-N,243.020143388,1.2875999999999999,0.0985545,O=S(=O)(O)O.Oc1cccc2cccnc12,OXYQUINOLINE HEMISULFATE,Active,
-59373950,Oc1c(Cl)cc(Cl)c2cccnc12,WDFKMLRRRCGAKS-UHFFFAOYSA-N,212.97481914,3.2472000000000003,0.11102,Oc1c(Cl)cc(Cl)c2cccnc12,CHLOROXINE,Active,
-62875211,Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,JFIOVJDNOJYLKP-UHFFFAOYSA-N,353.88426115199997,5.862600000000001,0.20171,Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,BITHIONOL,Inactive,
-10022076,CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,YPHMISFOHDHNIV-UHFFFAOYSA-N,281.162708216,1.0415,0.206035,CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,CYCLOHEXIMIDE,Inactive,
-18624770,CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl,BLFQGGGGFNSJKA-UHFFFAOYSA-N,341.05048261599995,5.601400000000004,0.261305,CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl,SERTRALINE HYDROCHLORIDE,Inactive,
-10093576,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],UVOCNBWUHNCKJM-UHFFFAOYSA-M,483.11884870399996,-4.236499999999997,0.263095,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],AZLOCILLIN SODIUM,Inactive,
-18128779,CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,IYLLULUTZPKQBW-UHFFFAOYSA-N,343.15320615200005,2.4029,0.2847,CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,ETHACRIDINE LACTATE,Inactive,
-84032448,O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,VRHJBWUIWQOFLF-UHFFFAOYSA-N,499.177706648,2.567800000000002,0.300125,O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,QUETIAPINE FUMARATE,Inactive,
-91340804,CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2,TVQZAMVBTVNYLA-UHFFFAOYSA-N,255.089543276,2.9662000000000006,0.302435,CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2,PRANOPROFEN,Inactive,
-79764923,Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,WESWYMRNZNDGBX-UHFFFAOYSA-N,414.09336016400005,4.869700000000003,0.30302,Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,MEFLOQUINE HYDROCHLORIDE,Inactive,
-27749501,CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)C(C)C12,MRMBZHPJVKCOMA-UHFFFAOYSA-N,350.104876056,-1.8949999999999971,0.30716,CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)C(C)C12,BIAPENEM,Inactive,
-35887016,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,QPCDCPDFJACHGM-UHFFFAOYSA-N,393.13834393599996,-2.6845999999999934,0.32751,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,PENTETIC ACID,Inactive,
-31098624,CC1(C)C(C(=O)O)N2C(=O)CC2S1(=O)=O,FKENQMMABCRJMK-UHFFFAOYSA-N,233.035793452,-0.794999999999999,0.358025,CC1(C)C(C(=O)O)N2C(=O)CC2S1(=O)=O,SULBACTAM,Inactive,
-65341452,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(OC=O)c3ccccc3)C2SC1.[Na+],ICZOIXFFVKYXOM-UHFFFAOYSA-M,512.0548685439999,-4.375599999999993,0.365255,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(OC=O)c3ccccc3)C2SC1.[Na+],CEFAMANDOLE NAFATE,Inactive,
-52096759,CS(=O)(=O)c1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1,OTVAEFIXJLOWRX-UHFFFAOYSA-N,355.00479894,0.40430000000000005,0.37493,CS(=O)(=O)c1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1,THIAMPHENICOL,Inactive,
-77536611,Oc1c(Br)cc(Br)c2cccnc12,ZDASUJMDVPTNTF-UHFFFAOYSA-N,300.87378798000003,3.4654000000000007,0.37936,Oc1c(Br)cc(Br)c2cccnc12,BROXYQUINOLINE,Inactive,
-96287578,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,DTOUUUZOYKYHEP-UHFFFAOYSA-N,339.36134844000003,4.711700000000004,0.38201,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,HEXETIDINE,Inactive,
-82781728,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,IEMDOFXTVAPVLX-UHFFFAOYSA-N,785.456155824,2.4426000000000045,0.38518,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,
-63912587,CN(C)N=Nc1[nH]cnc1C(N)=O,FDKXTQMXEQVLRF-UHFFFAOYSA-N,182.09160894,0.0688999999999999,0.387015,CN(C)N=Nc1[nH]cnc1C(N)=O,DACARBAZINE,Inactive,
-14503643,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,ULGZDMOVFRHVEP-UHFFFAOYSA-N,733.4612412040001,1.785600000000004,0.394435,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,
-31384946,Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,MDNWOSOZYLHTCG-UHFFFAOYSA-N,268.00578492,3.9954000000000023,0.3982,Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,DICHLOROPHEN,Inactive,
-88557186,CCN(CC)C(=S)SSC(=S)N(CC)CC,AUZONCFQVSMFAP-UHFFFAOYSA-N,296.05093264,3.6212000000000026,0.41174,CCN(CC)C(=S)SSC(=S)N(CC)CC,DISULFIRAM,Inactive,
-77595738,Oc1ccc(Cl)c2cccnc12,CTQMJYWDVABFRZ-UHFFFAOYSA-N,179.013791492,2.5938000000000008,0.42104,Oc1ccc(Cl)c2cccnc12,CLOXYQUIN,Inactive,
-34856987,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,WLOHNSSYAXHWNR-UHFFFAOYSA-N,834.545305176,2.201700000000009,0.433495,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,
-62621066,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,BFCDFTHTSVTWOG-UHFFFAOYSA-N,337.24393574000004,5.559100000000006,0.433905,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,SULOCTIDIL,Inactive,
-30636982,COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,SXYIRMFQILZOAM-UHFFFAOYSA-N,298.178023932,2.8408000000000015,0.440705,COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,ARTEMETHER,Inactive,
-56240604,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,AOCCBINRVIKJHY-UHFFFAOYSA-N,257.117569592,0.8136999999999999,0.46268,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,CARMOFUR,Inactive,
-19174112,Oc1c(I)cc(Cl)c2cccnc12,QCDFBFJGMNKBDO-UHFFFAOYSA-N,304.9104394600001,3.1984000000000004,0.46333,Oc1c(I)cc(Cl)c2cccnc12,CLIOQUINOL,Inactive,
-60630685,Cc1cc(O)cc(C)c1Cl,OSDLLIBGSJNGJE-UHFFFAOYSA-N,156.034192588,2.662440000000001,0.46338,Cc1cc(O)cc(C)c1Cl,CHLOROXYLENOL,Inactive,
-75038017,CCCCCCc1ccc(O)cc1O,WFJIVOKAWHGMBH-UHFFFAOYSA-N,194.130679816,3.2206000000000023,0.47322,CCCCCCc1ccc(O)cc1O,HEXYLRESORCINOL,Inactive,
-15968459,O=c1[nH]cc(F)c(=O)[nH]1,GHASVSINZRGABV-UHFFFAOYSA-N,130.017855556,-0.7977000000000001,0.47461,O=c1[nH]cc(F)c(=O)[nH]1,FLUOROURACIL,Inactive,
-79040337,Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,WSFHCKWLECYVBS-UHFFFAOYSA-N,307.06267689599997,1.8996000000000002,0.476895,Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,PROFLAVINE HEMISULFATE,Inactive,
-52174387,CN(C)C(=S)SSC(=S)N(C)C,KUAZQDVKQLNFPE-UHFFFAOYSA-N,239.988332384,2.0608,0.51846,CN(C)C(=S)SSC(=S)N(C)C,THIRAM,Inactive,
-14785360,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)C=CC(=O)O,JDZOTSLZMQDFLG-UHFFFAOYSA-N,393.28790872799993,5.007200000000004,0.5204,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)C=CC(=O)O,PERHEXILINE MALEATE,Inactive,
-59038974,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,YQNQNVDNTFHQSW-UHFFFAOYSA-N,307.026291388,2.2289000000000003,0.525515,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,NITAZOXANIDE,Inactive,
-81695424,CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O,MINDHVHHQZYEEK-UHFFFAOYSA-N,500.29853298799986,2.5925000000000016,0.5259,CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O,MUPIROCIN,Inactive,
-12700973,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,IJTPLVAAROHGGB-UHFFFAOYSA-N,418.915652792,5.287420000000003,0.528455,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,BROXALDINE,Inactive,
-47323652,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O,XCPXNPBILMXKNX-UHFFFAOYSA-N,504.16615251799993,2.8094000000000015,0.530845,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O,CARVEDILOL PHOSPHATE,Inactive,
-36222229,O=C(Nc1ccccc1)c1ccccc1O,WKEDVNSFRWHDNR-UHFFFAOYSA-N,213.078978592,2.644500000000001,0.5337,O=C(Nc1ccccc1)c1ccccc1O,SALICYLANILIDE,Inactive,
-11024152,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,AGOYDEPGAOXOCK-UHFFFAOYSA-N,747.476891268,2.439700000000004,0.53576,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,
-11192176,Nc1nc(F)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,GIUYCYHIANZCFB-UHFFFAOYSA-N,365.0536626059999,-1.7239000000000007,0.541395,Nc1nc(F)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,FLUDARABINE PHOSPHATE,Inactive,
-10365440,Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,WNAQOLSMVPFGTE-UHFFFAOYSA-N,256.076726096,4.046420000000003,0.54387,Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,CHLORMIDAZOLE,Inactive,
-21926702,COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)C2SC1,LTINZAODLRIQIX-UHFFFAOYSA-N,557.125019444,0.8270000000000015,0.55068,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,
-95314802,CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1,PXKHGMGELZGJQE-UHFFFAOYSA-N,560.241992424,6.941200000000008,0.55934,CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1,CHLORAMPHENICOL PALMITATE,Inactive,
-11341486,O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl,JYWIYHUXVMAGLG-UHFFFAOYSA-N,398.879031452,5.6171000000000015,0.5648,O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl,OXYCLOZANIDE,Inactive,
-91049916,CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4,BLUAFEHZUWYNDE-UHFFFAOYSA-N,282.146723804,2.3949000000000007,0.565745,CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4,ARTEMISININ,Inactive,
-79278148,COC(=O)NN=Cc1c[n+]([O-])c2ccccc2[n+]1[O-],OVGGLBAWFMIPPY-UHFFFAOYSA-N,262.0702048,-0.2034999999999998,0.57424,COC(=O)NN=Cc1c[n+]([O-])c2ccccc2[n+]1[O-],CARBADOX,Inactive,
-68580200,O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,YVQVOQKFMFRVGR-UHFFFAOYSA-N,324.10698423199995,0.6747000000000003,0.5745,O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,FURALTADONE,Inactive,
-11199120,IC(I)I,OKJPEAGHQZHRQV-UHFFFAOYSA-N,393.721244032,2.575,0.575325,IC(I)I,IODOFORM,Inactive,
-83888275,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],IYNDLOXRXUOGIU-UHFFFAOYSA-M,372.05460970400003,-3.4698999999999973,0.576135,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],PENICILLIN G POTASSIUM,Inactive,
-58673161,O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+],NWAPYWBKEFRREH-UHFFFAOYSA-M,372.88817092000005,-1.5469,0.579685,O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+],CHINIOFON,Inactive,
-32859566,CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12,YZODJQFXMFEJRM-UHFFFAOYSA-N,388.21507813600005,6.1908000000000065,0.591485,CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12,ACRISORCIN,Inactive,
-45326390,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],HCTVWSOKIJULET-UHFFFAOYSA-M,388.04952432399995,-3.633599999999997,0.59763,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],PENICILLIN V POTASSIUM,Inactive,
-20961843,S=C=NCc1ccccc1,MDKCFLQDBWCQCV-UHFFFAOYSA-N,149.029920224,2.2894000000000005,0.60346,S=C=NCc1ccccc1,BENZYL ISOTHIOCYANATE,Inactive,
-68645750,O=c1[nH]cnc2c1ncn2C1CCC(CO)O1,BXZVVICBKDXVGW-UHFFFAOYSA-N,236.090940244,-0.21050000000000008,0.609115,O=c1[nH]cnc2c1ncn2C1CCC(CO)O1,DIDANOSINE,Inactive,
-11452115,Cl.N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1,LTWIBTYLSRDGHP-UHFFFAOYSA-N,369.03147848799995,3.897170000000002,0.609345,Cl.N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1,ROBENIDINE HYDROCHLORIDE,Inactive,
-39419742,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,RXZBMPWDPOLZGW-UHFFFAOYSA-N,836.524569732,2.2096000000000076,0.613215,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,
-38958089,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],LTNZEXKYNRNOGT-UHFFFAOYSA-N,526.2630026400001,0.17824000000000445,0.627015,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],DEQUALINIUM CHLORIDE,Inactive,
-55071380,NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4cccs4)C3SC2)cc1,FMZXNVLFJHCSAF-UHFFFAOYSA-N,458.07186167599997,-1.218899999999995,0.63414,NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4cccs4)C3SC2)cc1,CEFALONIUM,Inactive,
-10141589,CC1CCC2C(C)C(O)OC3OC4(C)CCC1C32OO4,BJDCWCLMFKKGEE-UHFFFAOYSA-N,284.162373868,2.1867,0.637235,CC1CCC2C(C)C(O)OC3OC4(C)CCC1C32OO4,ARTENIMOL,Inactive,
-67742109,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-],GIZKAXHWLRYMLE-UHFFFAOYSA-M,367.0611356079999,0.4320999999999995,0.639055,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-],SANGUINARIUM CHLORIDE,Inactive,
-86898894,CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,FQZYTYWMLGAPFJ-UHFFFAOYSA-N,563.2519171439999,4.747600000000002,0.642465,CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,TAMOXIFEN CITRATE,Inactive,
-48994249,CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CZMDZGZYKOGLJY-UHFFFAOYSA-N,452.126205756,3.908300000000003,0.64336,CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,METITEPINE MESYLATE,Inactive,
-68502508,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,JMPFSEBWVLAJKM-UHFFFAOYSA-N,661.852179048,7.124400000000003,0.64365,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,CLOSANTEL,Inactive,
-18458323,NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1,IWUCXVSUMQZMFG-UHFFFAOYSA-N,244.080769484,-3.0114999999999994,0.645315,NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1,RIBAVIRIN,Inactive,
-68677718,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,LRBQNJMCXXYXIU-UHFFFAOYSA-N,1700.172974183999,4.838100000000016,0.646525,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,
-87117912,O.O.O.O=C([O-])C1O[Sb]2OC(=O)C(O2)C(C(=O)[O-])O[Sb]2OC(=O)C1O2.[K+].[K+],WBTCZEPSIIFINA-UHFFFAOYSA-J,665.73701438,-14.342099999999999,0.65067,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,
-47022595,C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-],KKAJSJJFBSOMGS-UHFFFAOYSA-N,259.087625128,-1.0140999999999993,0.658745,C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-],ACRIFLAVINIUM HYDROCHLORIDE,Inactive,
-73074534,O=C(O)C(S)C(S)C(=O)O,ACTRVOBWPAIOHC-UHFFFAOYSA-N,181.970750672,-0.2476000000000001,0.663605,O=C(O)C(S)C(S)C(=O)O,SUCCIMER,Inactive,
-25850402,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,YAVZHCFFUATPRK-UHFFFAOYSA-N,1017.7327715960001,8.118100000000009,0.664805,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,
-71264959,CCCCCCCCC=CCCCCCCCC(=O)[O-].[NH3+]CCO,KGWDUNBJIMUFAP-UHFFFAOYSA-N,343.308644172,2.9944,0.665335,CCCCCCCCC=CCCCCCCCC(=O)[O-].[NH3+]CCO,ETHANOLAMINE OLEATE,Inactive,
-10331935,CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1,RGLYKWWBQGJZGM-UHFFFAOYSA-N,268.14632988,4.828600000000005,0.6658,CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1,DIETHYLSTILBESTROL,Inactive,
-94639639,CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,ZSJLQEPLLKMAKR-UHFFFAOYSA-N,265.09099982000004,-2.8909,0.67693,CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,STREPTOZOSIN,Inactive,
-73998383,CN(C)C(CCOc1cccc2ccccc12)c1ccccc1.Cl,IHWDIQRWYNMKFM-UHFFFAOYSA-N,341.154642068,5.3334000000000055,0.68552,CN(C)C(CCOc1cccc2ccccc12)c1ccccc1.Cl,DAPOXETINE HYDROCHLORIDE,Inactive,
-94576117,CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2,JHEWMLHQNRHTQX-UHFFFAOYSA-N,456.17841785599995,5.529500000000004,0.696955,CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2,LOBARIC ACID,Inactive,
-64292186,COc1c2ccccc2nc2occc12,WIONIXOBNMDJFJ-UHFFFAOYSA-N,199.063328528,2.989600000000001,0.69733,COc1c2ccccc2nc2occc12,DICTAMNINE,Inactive,
-37688398,O=c1[nH]c2cc(Cl)ccc2o1,TZFWDZFKRBELIQ-UHFFFAOYSA-N,168.993056048,1.7745,0.699225,O=c1[nH]c2cc(Cl)ccc2o1,CHLORZOXAZONE,Inactive,
-58373987,CC(=O)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,TYZROVQLWOKYKF-UHFFFAOYSA-N,337.1437843399999,1.1235999999999997,0.700995,CC(=O)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,LINEZOLID,Inactive,
-46026658,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+],WWPRGAYLRGSOSU-UHFFFAOYSA-M,634.21385422,-0.0008799999999988817,0.70124,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,
-23508780,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,NSYZCCDSJNWWJL-UHFFFAOYSA-N,861.5085853200001,2.6798000000000073,0.708945,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,
-90105920,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl,FTNWXGFYRHWUKG-UHFFFAOYSA-N,388.09878197999996,5.681600000000005,0.70955,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl,TRIFLUPROMAZINE HYDROCHLORIDE,Inactive,
-88234565,CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,PBBGSZCBWVPOOL-UHFFFAOYSA-N,270.161979944,4.785200000000004,0.715915,CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,HEXESTROL,Inactive,
-94548560,Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2,WZUVPPKBWHMQCE-UHFFFAOYSA-N,302.079038168,1.3204999999999993,0.716155,Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2,HAEMATOXYLIN,Inactive,
-12499591,COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1.Cl.Cl,MKSVFGKWZLUTTO-UHFFFAOYSA-N,543.1763724520001,0.04990000000000083,0.71668,COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1.Cl.Cl,PUROMYCIN DIHYDROCHLORIDE,Inactive,
-30098447,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,HUPFGZXOMWLGNK-UHFFFAOYSA-N,250.044150556,3.035600000000001,0.71961,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,DIFLUNISAL,Inactive,
-13574492,C=CC(C)(O)CCC1C(=C)CC(OC(C)=O)C2C(C)(C)CCCC12C,WCNCDVQMEQJFGH-UHFFFAOYSA-N,348.26644501199996,5.044000000000005,0.719915,C=CC(C)(O)CCC1C(=C)CC(OC(C)=O)C2C(C)(C)CCCC12C,LARIXOL ACETATE,Inactive,
-66213636,CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,IWEQQRMGNVVKQW-UHFFFAOYSA-N,597.2129447919999,4.9665000000000035,0.721755,CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,TOREMIFENE CITRATE,Inactive,
-11149411,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,XCDIRYDKECHIPE-UHFFFAOYSA-N,861.3782994280002,0.7855000000000025,0.722265,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,
-55723416,CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21.Cl,YWKRLOSRDGPEJR-UHFFFAOYSA-N,351.061525968,5.609800000000004,0.728045,CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21.Cl,CHLORPROTHIXENE HYDROCHLORIDE,Inactive,
-47764434,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+],YPZYGIQXBGHDBH-UHFFFAOYSA-M,772.4737573080001,1.8573000000000057,0.729025,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,
-45826839,Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,PYZRQGJRPPTADH-UHFFFAOYSA-N,255.00785058399998,2.0098,0.73151,Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,LAMOTRIGINE,Inactive,
-96706685,CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1,PGOYMURMZNDHNS-UHFFFAOYSA-N,472.35526001599993,6.206000000000008,0.73676,CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1,HEDERAGENIN,Inactive,
-13946057,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,IZUPBVBPLAPZRR-UHFFFAOYSA-N,263.847003052,4.6592,0.73824,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,PENTACHLOROPHENOL,Inactive,
-48778541,Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1.O=[N+]([O-])O,NNGQLSIGRSTLLU-UHFFFAOYSA-N,476.98166667999993,6.107100000000003,0.73928,Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1.O=[N+]([O-])O,ISOCONAZOLE NITRATE,Inactive,
-51908620,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,AXNVHPCVMSNXNP-UHFFFAOYSA-N,1130.5509036320002,-1.3210999999999875,0.73998,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,
-64266560,CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)[O-])CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.[Na+],LBFBRXGCXUHRJY-UHFFFAOYSA-M,607.19238694,4.617300000000005,0.7415,CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)[O-])CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.[Na+],MONTELUKAST SODIUM,Inactive,
-92189223,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,HPSILLNWMJOWNM-UHFFFAOYSA-N,816.3204502039999,2.708500000000001,0.745215,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,
-28775777,COc1cc(O)cc(O)c1C(=O)c1ccccc1,CIKBLPYUSUJOHB-UHFFFAOYSA-N,244.073558864,2.3373999999999997,0.74555,COc1cc(O)cc(O)c1C(=O)c1ccccc1,ISOCOTOIN,Inactive,
-43448275,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],FVEFRICMTUKAML-UHFFFAOYSA-M,316.168424688,0.8785000000000007,0.745775,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],SODIUM TETRADECYL SULFATE,Inactive,
-11569209,Nc1nc2cc(Cl)ccc2o1,YGCODSQDUUUKIV-UHFFFAOYSA-N,168.00904046,2.0633999999999997,0.75269,Nc1nc2cc(Cl)ccc2o1,ZOXAZOLAMINE,Inactive,
-72262359,Cc1cc(O)ccc1Cl,CFKMVGJGLGKFKI-UHFFFAOYSA-N,142.018542524,2.3540200000000002,0.75414,Cc1cc(O)ccc1Cl,CHLOROCRESOL,Inactive,
-68422175,CC1=CC(=O)C2=C(C)CCC3C(C)C(=O)OC3C12,BJPSSVHNEGMBDQ-UHFFFAOYSA-N,246.125594436,2.419600000000001,0.75751,CC1=CC(=O)C2=C(C)CCC3C(C)C(=O)OC3C12,LEUCODIN,Inactive,
-30776478,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,VRKHYMXTJQCIND-UHFFFAOYSA-N,1421.7489412159996,-1.6776000000000149,0.75754,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,
-72766875,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,QKRYGAZNLBVXHK-UHFFFAOYSA-N,1254.6284746719996,0.725640000000003,0.75794,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,
-10374767,CC1=CC2C(C(C)C)CCC(C)(O)C2CC1,LHYHMMRYTDARSZ-UHFFFAOYSA-N,222.198365452,3.7759000000000027,0.758215,CC1=CC2C(C(C)C)CCC(C)(O)C2CC1,CADIN-4-EN-10-OL,Inactive,
-62726267,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,NAVMQTYZDKMPEU-UHFFFAOYSA-N,348.208930136,6.103720000000005,0.759105,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,BEXAROTENE,Inactive,
-43375785,CC1=CC(=O)c2c(O)cccc2C1=O,VCMMXZQDRFWYSE-UHFFFAOYSA-N,188.047344116,1.7175,0.76077,CC1=CC(=O)c2c(O)cccc2C1=O,PLUMBAGIN,Inactive,
-22938689,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl,UPUDVKWQBVIKBG-UHFFFAOYSA-N,431.18633611999996,5.842200000000006,0.761115,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl,ETHAVERINE HYDROCHLORIDE,Inactive,
-12791325,CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O,GGRBYIUPUOYRLQ-UHFFFAOYSA-N,447.20055026799986,1.4013000000000007,0.76286,CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O,TRIPELENNAMINE CITRATE,Inactive,
-65489491,Oc1ccc2ccccc2c1,JWAZRIHNYRIHIV-UHFFFAOYSA-N,144.057514876,2.5454,0.764145,Oc1ccc2ccccc2c1,beta-NAPHTHOL,Inactive,
-27950404,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,PVHUJELLJLJGLN-UHFFFAOYSA-N,360.13213635999995,2.5657000000000005,0.765325,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,NITRENDIPINE,Inactive,
-19836146,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,FBSMERQALIEGJT-UHFFFAOYSA-N,354.072425,5.316200000000005,0.768655,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,CHLORPROMAZINE HYDROCHLORIDE,Inactive,
-38292925,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,RRZXIRBKKLTSOM-UHFFFAOYSA-N,872.4922069840001,5.377400000000007,0.7697,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,
-11434808,COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1,HHGPYJLEJGNWJA-UHFFFAOYSA-N,358.105252916,3.200000000000001,0.772455,COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1,RETUSIN,Inactive,
-79900953,C=C(C)C1CC=C(C(=O)O)CC1,CDSMSBUVCWHORP-UHFFFAOYSA-N,166.099379688,2.3736000000000006,0.772965,C=C(C)C1CC=C(C(=O)O)CC1,PERILLIC ACID (-),Inactive,
-10834643,CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1,DGXLEDCXMIJNPJ-UHFFFAOYSA-N,528.2359327319999,5.407600000000005,0.77363,CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1,ARTHONIOIC ACID,Inactive,
-12686380,COc1ccccc1-c1cc(=O)c2c(OC)cccc2o1,QNKIRTADURZGPG-UHFFFAOYSA-N,282.089208928,3.4772000000000025,0.77385,COc1ccccc1-c1cc(=O)c2c(OC)cccc2o1,"5,2'-DIMETHOXYFLAVONE",Inactive,
-56824688,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,HQVZOORKDNCGCK-UHFFFAOYSA-N,364.13607081199996,7.003600000000006,0.774075,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,CLOFOCTOL,Inactive,
-24783948,CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CC(OC(=O)CC)C2OC(=O)CC,ONMZMZJEZHMWQL-UHFFFAOYSA-N,456.2511888719999,5.111600000000005,0.779385,CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CC(OC(=O)CC)C2OC(=O)CC,ESTRIOL TRIPROPIONATE,Inactive,
-61137124,NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O.O=S(=O)(O)O,RTCDDYYZMGGHOE-UHFFFAOYSA-N,552.1948728319999,-7.305100000000005,0.779595,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,
-85397927,O=C(O)CC[N+](=O)[O-],WBLZUCOIBUDNBV-UHFFFAOYSA-N,119.02185764000001,-0.26219999999999977,0.78103,O=C(O)CC[N+](=O)[O-],BOVINOCIDIN,Inactive,
-28517032,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,WKSAUQYGYAYLPV-UHFFFAOYSA-N,248.08287409599998,2.5238000000000005,0.78418,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,PYRIMETHAMINE,Inactive,
-55046452,CC1=CC(=O)c2ccccc2C1=O,MJVAVZPDRWSRRC-UHFFFAOYSA-N,172.052429496,2.0119000000000002,0.786255,CC1=CC(=O)c2ccccc2C1=O,MENADIONE,Inactive,
-82472383,CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1.O=S(=O)(O)O,NWQISSNHRDDWRM-UHFFFAOYSA-N,575.2836282599999,-3.980299999999999,0.78634,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,
-28884141,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,KBAUFVUYFNWQFM-UHFFFAOYSA-N,388.1998219959999,2.8591000000000006,0.78665,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,DOXYLAMINE SUCCINATE,Inactive,
-10043589,O=C1C=CC(=O)c2c(O)cccc21,KQPYUDDGWXQXHS-UHFFFAOYSA-N,174.031694052,1.3274,0.79133,O=C1C=CC(=O)c2c(O)cccc21,JUGLONE,Inactive,
-99349341,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,QWGDMFLQWFTERH-UHFFFAOYSA-N,313.09818981199993,3.4292000000000025,0.792665,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,AMOXAPINE,Inactive,
-65172071,COc1cc2c(cc1OC)C1C(=O)c3ccc4oc(C(C)C)cc4c3OC1CO2,DJDRQIXLFYUYAA-UHFFFAOYSA-N,394.14163842399995,4.693300000000004,0.794655,COc1cc2c(cc1OC)C1C(=O)c3ccc4oc(C(C)C)cc4c3OC1CO2,ISOROTENONE,Inactive,
-32439929,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,GHOSNRCGJFBJIB-UHFFFAOYSA-N,610.253982808,6.319100000000007,0.795055,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,CANDESARTAN CILEXTIL,Inactive,
-93691195,COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1,VLEUZFDZJKSGMX-UHFFFAOYSA-N,256.10994437200003,3.5798000000000023,0.795585,COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1,PTEROSTILBENE,Inactive,
-31903153,CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,CIEYTVIYYGTCCI-UHFFFAOYSA-N,242.094294308,3.234000000000001,0.79581,CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,LAPACHOL,Inactive,
-91504517,COc1cc(C)c(C=CC=CC=CC=CC(=O)O)c(C)c1C,CVIWFCMUUNYSFR-UHFFFAOYSA-N,298.15689456399997,4.386860000000004,0.796725,COc1cc(C)c(C=CC=CC=CC=CC(=O)O)c(C)c1C,ACITRETIN,Inactive,
-71045503,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O,XVTXMTOYQVRHSK-UHFFFAOYSA-N,394.0156979719998,3.4810000000000016,0.79686,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O,ENILCONAZOLE SULFATE,Inactive,
-85922843,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)CSc3ccncc3)C2SC1.[Na+],VGEOUKPOQQEQSX-UHFFFAOYSA-M,445.037821512,-3.8552999999999953,0.79701,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)CSc3ccncc3)C2SC1.[Na+],CEPHAPIRIN SODIUM,Inactive,
-10076020,CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,NCDNCNXCDXHOMX-UHFFFAOYSA-N,720.3127606359999,5.905200000000005,0.797315,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,
-11207832,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,NTJOBXMMWNYJFB-UHFFFAOYSA-N,369.172227344,1.2851000000000006,0.79732,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,AMISULPRIDE,Inactive,
-10980756,CC1(C)C(=O)C=CC2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,HCEYJYMNIQHPPK-UHFFFAOYSA-N,440.2198887439999,3.989900000000003,0.797455,CC1(C)C(=O)C=CC2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,DEACETYLGEDUNIN,Inactive,
-74544990,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,HRRBJVNMSRJFHQ-UHFFFAOYSA-N,392.209992756,3.410300000000002,0.799835,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,NAFTOPIDIL,Inactive,
-15398558,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,OGHNVEJMJSYVRP-UHFFFAOYSA-N,406.189257312,3.738000000000002,0.80021,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,CARVEDILOL,Inactive,
-73470920,C#CCCCCCCCCCCCC(O)CC(O)CO,OHLQBKZXSJYBMK-UHFFFAOYSA-N,284.235144884,3.0149000000000012,0.800635,C#CCCCCCCCCCCCC(O)CC(O)CO,AVOCADYNE,Inactive,
-96282588,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,WMBWREPUVVBILR-UHFFFAOYSA-N,458.0849113959999,2.233199999999999,0.801255,O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,EPIGALLOCATECHIN-3-MONOGALLATE,Inactive,
-10955155,O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1,UFBJCMHMOXMLKC-UHFFFAOYSA-N,184.012021228,1.2086,0.80158,O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1,"2,4-DINITROPHENOL",Inactive,
-19970211,COc1ccc(C=CC(=O)c2ccc(O)cc2O)cc1,ADRQFDIWPRFKSP-UHFFFAOYSA-N,270.089208928,3.0025000000000013,0.8023,COc1ccc(C=CC(=O)c2ccc(O)cc2O)cc1,"2',4'-DIHYDROXY-4-METHOXYCHALCONE",Inactive,
-38629194,CNc1ccccc1C(=O)O,WVMBPWMAQDVZCM-UHFFFAOYSA-N,151.063328528,1.4264999999999999,0.802425,CNc1ccccc1C(=O)O,N-METHYLANTHRANILIC ACID,Inactive,
-78658655,CC(C)C(=O)Oc1ccc(CO)cc1C(CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)C=CC(=O)O,MWHXMIASLKXGBU-UHFFFAOYSA-N,527.2883026519999,5.092900000000004,0.804,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,
-79399535,CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl,VXPCQISYVPFYRK-UHFFFAOYSA-N,348.14269748,5.441400000000005,0.804295,CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl,ETHOPROPAZINE HYDROCHLORIDE,Inactive,
-35352352,COc1c2ccoc2c(OC)c2oc(=O)ccc12,DFMAXQKDIGCMTL-UHFFFAOYSA-N,246.05282342,2.556400000000001,0.804465,COc1c2ccoc2c(OC)c2oc(=O)ccc12,ISOPIMPINELLIN,Inactive,
-11097952,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,FNYLWPVRPXGIIP-UHFFFAOYSA-N,253.10759335199998,0.8334000000000001,0.80537,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,TRIAMTERENE,Inactive,
-10650272,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C,GNRIZKKCNOBBMO-UHFFFAOYSA-N,410.17293855199995,5.089000000000003,0.806475,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C,alpha-MANGOSTIN,Inactive,
-41869868,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,CRQQGFGUEAVUIL-UHFFFAOYSA-N,263.88155872,4.04356,0.80708,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,CHLOROTHALONIL,Inactive,
-11243605,Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,XNKLLVCARDGLGL-UHFFFAOYSA-N,224.079706864,-0.7090799999999999,0.80759,Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,STAVUDINE,Inactive,
-91756397,N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl,ZSZFUDFOPOMEET-UHFFFAOYSA-N,405.979108568,3.536480000000002,0.80824,N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl,DICLAZURIL,Inactive,
-21240306,CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,AUODDLQVRAJAJM-UHFFFAOYSA-N,460.15654854799993,0.8112999999999992,0.80947,CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,CLINDAMYCIN HYDROCHLORIDE,Inactive,
-13856050,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,RZEKVGVHFLEQIL-UHFFFAOYSA-N,381.07588234799994,3.5139200000000006,0.81145,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,CELECOXIB,Inactive,
-45531154,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,IAFBOKYTDSDNHV-UHFFFAOYSA-N,284.104858992,3.410300000000002,0.8116,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,ALPINETIN METHYL ETHER,Inactive,
-32873346,O=C(OCc1ccccc1)c1cccnc1,KVYGGMBOZFWZBQ-UHFFFAOYSA-N,213.078978592,2.4386,0.81374,O=C(OCc1ccccc1)c1cccnc1,BENZYL NICOTINATE,Inactive,
-23573091,CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1.Cl,NLOALSPYZIIXEO-UHFFFAOYSA-N,387.121291252,4.504800000000004,0.81548,CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1.Cl,BENFLUOREX HYDROCHLORIDE,Inactive,
-98292921,COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C,NFGXHKASABOEEW-UHFFFAOYSA-N,310.25079494799996,5.062000000000006,0.81555,COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C,METHOPRENE (S),Inactive,
-11432592,C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21.O,YXPVEXCTPGULBZ-UHFFFAOYSA-N,295.128054024,-1.6524999999999994,0.81568,C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21.O,ENTECAVIR MONOHYDRATE,Inactive,
-60187623,C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C,BFPYWIDHMRZLRN-UHFFFAOYSA-N,296.177630008,3.6126000000000023,0.81703,C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C,ETHINYL ESTRADIOL,Inactive,
-81523399,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,ACTOXUHEUCPTEW-UHFFFAOYSA-N,842.5140050480001,2.3251000000000075,0.819255,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,
-25010663,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,NQPDXQQQCQDHHW-UHFFFAOYSA-N,357.9501169480001,6.037300000000002,0.81989,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,TRICLABENDAZOLE,Inactive,
-31610000,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl,VXEAYBOGHINOKW-UHFFFAOYSA-N,311.144077384,4.9756000000000045,0.820225,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl,CYCLOBENZAPRINE HYDROCHLORIDE,Inactive,
-30718252,O=C(O)Cc1ccc(-c2ccccc2)cc1,QRZAKQDHEVVFRX-UHFFFAOYSA-N,212.083729624,2.9807000000000015,0.82088,O=C(O)Cc1ccc(-c2ccccc2)cc1,FELBINAC,Inactive,
-82978149,COc1c(-c2coc3cc4c(cc3c2=O)CC(O)C(C)(C)O4)ccc2c1C=CC(C)(C)O2,KJTDZAHLWHEULN-UHFFFAOYSA-N,434.17293855199995,4.727200000000005,0.8212,COc1c(-c2coc3cc4c(cc3c2=O)CC(O)C(C)(C)O4)ccc2c1C=CC(C)(C)O2,MUNDULONE,Inactive,
-44152324,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,SMEROWZSTRWXGI-UHFFFAOYSA-N,376.29774513999996,5.507100000000006,0.822145,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,LITHOCHOLIC ACID,Inactive,
-43738261,S=c1[nH]cnc2nc[nH]c12,GLVAUDGFNGKCSF-UHFFFAOYSA-N,152.015667128,1.0154899999999998,0.82224,S=c1[nH]cnc2nc[nH]c12,MERCAPTOPURINE,Inactive,
-10417842,O=C(C=Cc1ccccc1)c1ccc(O)cc1,UAHGNXFYLAJDIN-UHFFFAOYSA-N,224.083729624,3.2883000000000013,0.82298,O=C(C=Cc1ccccc1)c1ccc(O)cc1,4'-HYDROXYCHALCONE,Inactive,
-95337471,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,GYHCTFXIZSNGJT-UHFFFAOYSA-N,448.15537034,5.683140000000005,0.82304,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,TOLVAPTAN,Inactive,
-10920823,CNCC(O)c1ccc(O)cc1,YRCWQPVGYLYSOX-UHFFFAOYSA-N,167.094628656,0.645,0.82357,CNCC(O)c1ccc(O)cc1,OXEDRINE,Inactive,
-90134625,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,XHEFDIBZLJXQHF-UHFFFAOYSA-N,286.04773804,2.282400000000001,0.824765,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,FISETIN,Inactive,
-19523323,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,QPPBRPIAZZHUNT-UHFFFAOYSA-N,264.068096624,1.16802,0.825695,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,SULFAMERAZINE,Inactive,
-14319164,CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,AHLBNYSZXLDEJQ-UHFFFAOYSA-N,495.39237379599996,6.881900000000007,0.827585,CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,ORLISTAT,Inactive,
-51404832,C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12,ODSSDTBFHAYYMD-UHFFFAOYSA-N,468.3967309039999,8.595600000000006,0.828735,C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12,LUPEOL ACETATE,Inactive,
-94325157,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,BQSJTQLCZDPROO-UHFFFAOYSA-N,316.08816337199994,3.723200000000002,0.83124,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,FEBUXOSTAT,Inactive,
-65120478,N=C(N)NOCCC(N)C(=O)O,FSBIGDSBMBYOPN-UHFFFAOYSA-N,176.090940244,-1.7969299999999988,0.83165,N=C(N)NOCCC(N)C(=O)O,CANAVANINE,Inactive,
-23173986,CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,OIRFJRBSRORBCM-UHFFFAOYSA-N,570.8002226240001,3.7359000000000018,0.83173,CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,IOPANIC ACID,Inactive,
-11146605,c1ccc2c(c1)[nH]c1cnccc12,AIFRHYZBTHREPW-UHFFFAOYSA-N,168.068748256,2.7161,0.832055,c1ccc2c(c1)[nH]c1cnccc12,NORHARMAN,Inactive,
-61892884,CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CIWBQSYVNNPZIQ-UHFFFAOYSA-N,504.252331744,3.8175000000000026,0.83209,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,
-10214292,N=C1NC(=O)N2CC12,BIXBBIPTYBJTRY-UHFFFAOYSA-N,111.04326178,-0.62893,0.83218,N=C1NC(=O)N2CC12,IMEXON,Inactive,
-38428954,CC(=O)Oc1ccc(C=Cc2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,PDAYUJSOJIMKIS-UHFFFAOYSA-N,354.11033829599995,3.632900000000002,0.83225,CC(=O)Oc1ccc(C=Cc2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,TRIACETYLRESVERATROL,Inactive,
-44999372,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,UCDKONUHZNTQPY-UHFFFAOYSA-N,409.9760005520001,4.980100000000004,0.83238,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,BROMHEXINE HYDROCHLORIDE,Inactive,
-10030844,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,MRIAQLRQZPPODS-UHFFFAOYSA-N,402.13146766399996,3.5116000000000023,0.83375,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,NOBILETIN,Inactive,
-41580020,O=C(O)CCCCCCCCCCCCC1C=CCC1,XMVQWNRDPAAMJB-UHFFFAOYSA-N,280.240230264,5.718400000000007,0.83381,O=C(O)CCCCCCCCCCCCC1C=CCC1,CHAULMOOGRIC ACID,Inactive,
-65693119,O=C(O)CCc1nc2ccccc2[nH]1,XYWJNTOURDMTPI-UHFFFAOYSA-N,190.07422756,1.5800999999999998,0.83559,O=C(O)CCc1nc2ccccc2[nH]1,PROCODAZOLE,Inactive,
-10213451,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,ZAFYATHCZYHLPB-UHFFFAOYSA-N,307.168462292,3.2488400000000013,0.835605,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,ZOLPIDEM,Inactive,
-11676769,COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O,GJOHLWZHWQUKAU-UHFFFAOYSA-N,455.12225270399983,0.9255000000000004,0.836055,COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O,PRIMAQUINE PHOSPHATE,Inactive,
-42247465,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,XXPDBLUZJRXNNZ-UHFFFAOYSA-N,320.111397352,4.6612000000000045,0.83703,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,PROMETHAZINE HYDROCHLORIDE,Inactive,
-55165394,O=C([O-])CCCc1ccccc1.[Na+],VPZRWNZGLKXFOE-UHFFFAOYSA-M,186.065673872,-2.236799999999998,0.83715,O=C([O-])CCCc1ccccc1.[Na+],SODIUM PHENYLBUTYRATE,Inactive,
-70785955,CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C.O=S(=O)(O)O,LLIODTIILSCNOH-UHFFFAOYSA-N,373.130756456,1.1211000000000004,0.83938,CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C.O=S(=O)(O)O,PHYSOSTIGMINE SULFATE,Inactive,
-10693564,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2=O,NGCXNVIQHUCZIT-UHFFFAOYSA-N,314.115423676,2.8434000000000017,0.83942,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2=O,"DEOXYSAPPANONE B 7,4'-DIMETHYL ETHER",Inactive,
-85525712,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,AFSDNFLWKVMVRB-UHFFFAOYSA-N,302.006267152,1.3127999999999997,0.839945,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,ELLAGIC ACID,Inactive,
-58646702,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl,BFUUJUGQJUTPAF-UHFFFAOYSA-N,330.17102040400005,2.978000000000001,0.840415,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl,PROPARACAINE HYDROCHLORIDE,Inactive,
-12460091,CC(=O)C1C(=O)C=C(C)OC1=O,PGRHXDWITVMQBC-UHFFFAOYSA-N,168.042258736,0.22130000000000005,0.84095,CC(=O)C1C(=O)C=C(C)OC1=O,DEHYDROACETIC ACID,Inactive,
-49130007,CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,OMZAMQFQZMUNTP-UHFFFAOYSA-N,530.278072316,6.421920000000007,0.841655,CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,BAZEDOXIFENE ACETATE,Inactive,
-90741016,O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl,YRIZYWQGELRKNT-UHFFFAOYSA-N,230.9005239,-0.8226,0.842675,O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl,SYMCLOSENE,Inactive,
-73886776,COc1c(O)cccc1O,QFYYAIBEHOEZKC-UHFFFAOYSA-N,140.047344116,1.1063999999999996,0.842975,COc1c(O)cccc1O,2-METHOXYRESORCINOL,Inactive,
-70810924,CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,FAEKWTJYAYMJKF-UHFFFAOYSA-N,452.267507632,5.219900000000005,0.843745,CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,REPAGLINIDE,Inactive,
-78589373,CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C,JQMQKOQOLPGBBE-UHFFFAOYSA-N,402.349780712,6.647600000000009,0.84396,CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C,5alpha-CHOLESTAN-3beta-OL-6-ONE,Inactive,
-82780550,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O,SWOUGRBFXFILIB-UHFFFAOYSA-N,563.0985263599999,3.342200000000001,0.844185,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O,PROCHLORPERAZINE EDISYLATE,Inactive,
-98996125,Cl.Fc1ccc(C2CCNCC2COc2ccc3c(c2)OCO3)cc1,GELRVIPPMNMYGS-UHFFFAOYSA-N,365.11939943199997,3.748300000000002,0.844415,Cl.Fc1ccc(C2CCNCC2COc2ccc3c(c2)OCO3)cc1,PAROXETINE HYDROCHLORIDE,Inactive,
-89954262,COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5C2)OCO4)CCN1C,YVPXVXANRNDGTA-UHFFFAOYSA-N,606.2729869359999,6.873900000000009,0.844485,COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5C2)OCO4)CCN1C,CEPHARANTHINE,Inactive,
-11479197,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,AFJYYKSVHJGXSN-UHFFFAOYSA-N,769.4401118359999,6.069800000000008,0.84639,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,
-54397532,COc1cc(C=CC(=O)O)ccc1O,KSEBMYQBYZTDHS-UHFFFAOYSA-N,194.0579088,1.4986,0.84644,COc1cc(C=CC(=O)O)ccc1O,FERULIC ACID,Inactive,
-37727657,CCC(c1cccc(O)c1)C(C)CN(C)C.Cl,ZELFLGGRLLOERW-UHFFFAOYSA-N,257.154642068,3.505300000000003,0.847215,CCC(c1cccc(O)c1)C(C)CN(C)C.Cl,TAPENTADOL HYDROCHLORIDE,Inactive,
-52933413,CC(C)NCC(O)c1cc(O)cc(O)c1,LMOINURANNBYCM-UHFFFAOYSA-N,211.120843404,1.1291999999999998,0.8474,CC(C)NCC(O)c1cc(O)cc(O)c1,METAPROTERENOL,Inactive,
-22185018,C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O,JAKAZHIACKJNNB-UHFFFAOYSA-N,326.24570956799994,3.585700000000002,0.8475,C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O,AVOCADYNE ACETATE,Inactive,
-57648397,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],VKQFCGNPDRICFG-UHFFFAOYSA-N,388.16343648799995,3.201800000000002,0.84858,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],NISOLDIPINE,Inactive,
-56190090,CCCCCC1C(=O)OC(C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)OC(C)C1OC(=O)CC(C)C,ZVYMCLIDNNTNCL-UHFFFAOYSA-N,534.2577307959999,3.090300000000001,0.84859,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,
-17112874,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,SEQDDYPDSLOBDC-UHFFFAOYSA-N,300.066555336,2.4722,0.84896,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,TEMAZEPAM,Inactive,
-59719187,COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2,SQBVRNCDBATODN-UHFFFAOYSA-N,378.110338296,4.3815000000000035,0.849005,COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2,DURMILLONE,Inactive,
-97962227,COc1cccc(C(=O)c2ccccc2)c1,VMFJVWPCRCAWBS-UHFFFAOYSA-N,212.083729624,2.9262000000000015,0.849105,COc1cccc(C(=O)c2ccccc2)c1,CEAROIN 3-METHYL ETHER,Inactive,
-68663062,Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,JWBOIMRXGHLCPP-UHFFFAOYSA-N,317.95366104,5.929000000000002,0.84944,Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,MITOTANE,Inactive,
-90308719,O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,GWOFUCIGLDBNKM-UHFFFAOYSA-N,372.087684704,3.141800000000001,0.849795,O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,GLAFENINE,Inactive,
-15769992,Cl.NC(Cc1ccc(O)cc1)C(=O)O,JJWFIVDAMOFNPS-UHFFFAOYSA-N,217.050570924,0.7684000000000001,0.84986,Cl.NC(Cc1ccc(O)cc1)C(=O)O,TYROSINE HYDROCHLORIDE,Inactive,
-45588709,CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,KJADKKWYZYXHBB-UHFFFAOYSA-N,339.098787632,-0.3953999999999982,0.850465,CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,TOPIRAMATE,Inactive,
-74350411,COc1ccc2c(=O)ccoc2c1,ZIPLCYUNFCYCCT-UHFFFAOYSA-N,176.047344116,1.8016,0.85073,COc1ccc2c(=O)ccoc2c1,7-METHOXYCHROMONE,Inactive,
-15926351,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12,HKEAFJYKMMKDOR-UHFFFAOYSA-N,416.11073221999993,0.3860999999999998,0.850795,O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12,PUERARIN,Inactive,
-52306803,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O.Cl,JXRAXHBVZQZSIC-UHFFFAOYSA-N,534.2132791399999,3.0061000000000013,0.850925,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O.Cl,MOEXIPRIL HYDROCHLORIDE,Inactive,
-17416214,CCCCC(CC)COC(=O)c1ccccc1O,FMRHJJZUHUTGKE-UHFFFAOYSA-N,250.156894564,3.7654000000000036,0.851105,CCCCC(CC)COC(=O)c1ccccc1O,OCTISALATE,Inactive,
-19172416,COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1,PVVORTURQPBPEQ-UHFFFAOYSA-N,312.099773612,3.485800000000002,0.851635,COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1,"5,7,4'-TRIMETHOXYISOFLAVONE",Inactive,
-16465674,CC1=CC2C(CC1=O)C2(C)C,CTZWGIMYGKDLPH-UHFFFAOYSA-N,150.104465068,2.1776999999999997,0.851995,CC1=CC2C(CC1=O)C2(C)C,2-CARENE-3-ONE,Inactive,
-17738712,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,JCCNYMKQOSZNPW-UHFFFAOYSA-N,382.144805656,4.887800000000005,0.852385,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,LORATADINE,Inactive,
-90035406,O=C(O)c1ccc2c(c1)OCO2,VDVJGIYXDVPQLP-UHFFFAOYSA-N,166.026608672,1.1134999999999997,0.85251,O=C(O)c1ccc2c(c1)OCO2,PIPERONYLIC ACID,Inactive,
-19526066,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+],AWLILQARPMWUHA-UHFFFAOYSA-M,264.090843064,-1.617699999999997,0.85312,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+],THIOPENTAL SODIUM,Inactive,
-11452537,CC(O)(CC(=O)O)CC(=O)O,NPOAOTPXWNWTSH-UHFFFAOYSA-N,162.05282342,-0.3132,0.85529,CC(O)(CC(=O)O)CC(=O)O,MEGLUTOL,Inactive,
-10226532,Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1,QWCJHSGMANYXCW-UHFFFAOYSA-N,314.08374668799996,2.2553,0.85563,Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1,SULFAPHENAZOLE,Inactive,
-11453769,COc1ccc(C(C)C(=O)c2ccc(O)cc2O)cc1,CCOJFDRSZSSKOG-UHFFFAOYSA-N,272.104858992,3.092800000000002,0.85613,COc1ccc(C(C)C(=O)c2ccc(O)cc2O)cc1,ANGOLENSIN (R),Inactive,
-46927055,CCCCOc1ccc(CC(=O)NO)cc1,MXJWRABVEGLYDG-UHFFFAOYSA-N,223.120843404,1.9134,0.85675,CCCCOc1ccc(CC(=O)NO)cc1,BUFEXAMAC,Inactive,
-31475358,CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-],CEJGGHKJHDHLAZ-UHFFFAOYSA-M,385.161641364,0.8499000000000017,0.85746,CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-],VALETHAMATE BROMIDE,Inactive,
-18994356,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,VYGQUTWHTHXGQB-UHFFFAOYSA-N,524.45933116,11.542499999999986,0.857705,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,RETINYL PALMITATE,Inactive,
-60006572,Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1,VURKRJGMSKJIQX-UHFFFAOYSA-N,179.0443244,-1.4114000000000007,0.857875,Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1,XANTHOPTERIN,Inactive,
-45089598,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,KXGVEGMKQFWNSR-UHFFFAOYSA-N,392.29265975999994,4.477900000000005,0.858705,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,DEOXYCHOLIC ACID,Inactive,
-21987690,CC(=O)NC(Cc1ccccc1)C(=O)O,CBQJSKKFNMDLON-UHFFFAOYSA-N,207.089543276,0.8183999999999998,0.85876,CC(=O)NC(Cc1ccccc1)C(=O)O,AFALANINE,Inactive,
-29828597,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH-UHFFFAOYSA-N,178.135765196,3.6390000000000025,0.858835,CC(C)c1cccc(C(C)C)c1O,PROPOFOL,Inactive,
-58679613,CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,FIPWRIJSWJWJAI-UHFFFAOYSA-N,338.2093240599999,3.7177000000000024,0.859345,CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,PIPERONYL BUTOXIDE,Inactive,
-58751177,CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,PYTMYKVIJXPNBD-UHFFFAOYSA-N,597.2129447919999,5.314100000000005,0.859985,CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CLOMIPHENE CITRATE,Inactive,
-65314068,COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1,XYKWNRUXCOIMFZ-UHFFFAOYSA-N,385.11931918,3.9815000000000023,0.86075,COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1,TEPOXALIN,Inactive,
-56270100,Nc1nc(S)c2nc[nH]c2n1,WYWHKKSPHMUBEB-UHFFFAOYSA-N,167.02656616,0.2237999999999999,0.86076,Nc1nc(S)c2nc[nH]c2n1,TIOGUANINE,Inactive,
-89425968,COc1ccc(C(C)=O)c(O)c1,UILPJVPSNHJFIK-UHFFFAOYSA-N,166.06299418,1.6034,0.860815,COc1ccc(C(C)=O)c(O)c1,PAEONOL,Inactive,
-36336219,CC(C)c1cc2c(c(O)c1O)C1(C(=O)O)CCCC(C)(C)C1CC2,QRYRORQUOLYVBU-UHFFFAOYSA-N,332.198759376,4.316100000000004,0.86132,CC(C)c1cc2c(c(O)c1O)C1(C(=O)O)CCCC(C)(C)C1CC2,CARNOSIC ACID,Inactive,
-92828422,O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+],IINNWAYUJNWZRM-UHFFFAOYSA-L,879.6189538520001,-1.5716999999999999,0.86148,O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+],ERYTHROSINE SODIUM,Inactive,
-87925522,COC1C(C(=O)O)OC(C)C(O)C1O.COC1OC(C(=O)O)C(O)C(O)C1O,IJOSDFFZUBPEOH-UHFFFAOYSA-N,414.1373408919999,-3.8798999999999952,0.861715,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,
-38020515,C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-],FAPSXSAPXXJTOU-UHFFFAOYSA-L,360.07757316,-4.032799999999993,0.861725,C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-],HEXAMETHONIUM BROMIDE,Inactive,
-78651257,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,RAJWOBJTTGJROA-UHFFFAOYSA-N,288.208930136,4.167300000000004,0.86197,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,"5alpha-ANDROSTAN-3,17-DIONE",Inactive,
-94569870,CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,KTXVDQNRHZQBOR-UHFFFAOYSA-N,389.1872087119999,2.8192000000000004,0.86272,CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,PENBUTOLOL SULFATE,Inactive,
-68151575,CC(=O)c1c(O)cc(O)cc1O,XLEYFDVVXLMULC-UHFFFAOYSA-N,168.042258736,1.006,0.863305,CC(=O)c1c(O)cc(O)cc1O,PHLORACETOPHENONE,Inactive,
-52802900,CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O.Cl,GTNDZRUWKHDICY-UHFFFAOYSA-N,698.3862141280001,6.8435000000000095,0.86334,CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O.Cl,CLINDAMYCIN PALMITATE HYDROCHLORIDE,Inactive,
-10465153,CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl,PFWHFUPRJSEODI-UHFFFAOYSA-N,289.13457531999995,3.722200000000003,0.863565,CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl,ANABASAMINE HYDROCHLORIDE,Inactive,
-29716617,CC(C)NCC(O)c1ccc2ccccc2c1.Cl,QONLGXRPRAIDGI-UHFFFAOYSA-N,265.12334194,3.2930000000000024,0.86359,CC(C)NCC(O)c1ccc2ccccc2c1.Cl,PRONETALOL HYDROCHLORIDE,Inactive,
-24491790,CC(O)C(=O)[O-].[Na+],NGSFWBMYFKHRBD-UHFFFAOYSA-M,112.01363830000001,-4.878899999999999,0.863945,CC(O)C(=O)[O-].[Na+],SODIUM LACTATE,Inactive,
-22196896,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,JTSDBFGMPLKDCD-UHFFFAOYSA-N,868.5660406200002,3.341400000000009,0.86416,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,
-24782238,CC12CCC3C(CCC45OC4C(O)=C(C#N)CC35C)C1CCC2O,KVJXBPDAXMEYOA-UHFFFAOYSA-N,329.199093724,3.466880000000002,0.864645,CC12CCC3C(CCC45OC4C(O)=C(C#N)CC35C)C1CCC2O,TRILOSTANE,Inactive,
-15309132,CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,XUGISPSHIFXEHZ-UHFFFAOYSA-N,428.365430776,7.95950000000001,0.865765,CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,CHOLESTERYL ACETATE,Inactive,
-89154595,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,HFHZKZSRXITVMK-UHFFFAOYSA-N,324.14739249999997,3.493400000000002,0.86589,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,OXYPHENBUTAZONE,Inactive,
-89765251,CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1,UTVCPAPWORAKEV-UHFFFAOYSA-N,309.07832696,2.0506399999999996,0.86589,CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1,SULFISOXAZOLE ACETYL,Inactive,
-41980728,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,MKXKFYHWDHIYRV-UHFFFAOYSA-N,276.07217687200006,3.2081000000000017,0.86624,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,FLUTAMIDE,Inactive,
-81286572,N=C(N)NS(=O)(=O)c1ccc(N)cc1,BRBKOPJOKNSWSG-UHFFFAOYSA-N,214.05244656,-0.5594299999999999,0.8666,N=C(N)NS(=O)(=O)c1ccc(N)cc1,SULFAGUANIDINE,Inactive,
-85541138,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O,YLOYKYXNDHOHHT-UHFFFAOYSA-N,374.10016753599996,2.546960000000001,0.86666,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O,ATRANORIN,Inactive,
-50732540,Cl.NCCCC(N)(C(=O)O)C(F)F.O,FJPAMFNRCFEGSD-UHFFFAOYSA-N,236.07392646,-0.6304000000000001,0.86705,Cl.NCCCC(N)(C(=O)O)C(F)F.O,EFLORNITHINE HYDROCHLORIDE HYDRATE,Inactive,
-90215328,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,FMGSKLZLMKYGDP-UHFFFAOYSA-N,288.208930136,3.8792000000000026,0.867185,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,PRASTERONE,Inactive,
-74796649,Cl.N=C(N)NCCCC(N)C(=O)O,KWTQSFXGGICVPE-UHFFFAOYSA-N,210.0883534,-0.9166299999999994,0.867375,Cl.N=C(N)NCCCC(N)C(=O)O,ARGININE HYDROCHLORIDE,Inactive,
-44260845,COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,BEZZFPOZAYTVHN-UHFFFAOYSA-N,315.06776227600005,2.9079000000000006,0.86832,COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,OXFENDAZOLE,Inactive,
-39097698,CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41,NEWMWGLPJQHSSQ-UHFFFAOYSA-N,676.3822626120001,3.028600000000001,0.86946,CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41,ACTEIN,Inactive,
-15858853,Cc1cc(O)cc(O)c1C(=O)O,AMKYESDOVDKZKV-UHFFFAOYSA-N,168.042258736,1.1044199999999997,0.86994,Cc1cc(O)cc(O)c1C(=O)O,ORSELLINIC ACID,Inactive,
-81856970,CC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O,CQIUKKVOEOPUDV-UHFFFAOYSA-N,250.084123548,1.721,0.870195,CC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O,CITRININ,Inactive,
-48445008,NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O,GQPYTJVDPQTBQC-UHFFFAOYSA-N,523.1055393099999,0.2631999999999995,0.870365,NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O,SITAGLIPTIN PHOSPHATE,Inactive,
-24046777,COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC,YJGVMLPVUAXIQN-UHFFFAOYSA-N,414.1314676639999,2.4092000000000002,0.871335,COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC,PICROPODOPHYLLIN,Inactive,
-84234915,NCC1(CC(=O)O)CCCCC1,UGJMXCAKCUNAIE-UHFFFAOYSA-N,171.125928784,1.3702999999999994,0.871945,NCC1(CC(=O)O)CCCCC1,GABAPENTIN,Inactive,
-43283249,CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,RSEPBGGWRJCQGY-UHFFFAOYSA-N,356.23514488399996,5.350300000000006,0.872515,CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,ESTRADIOL VALERATE,Inactive,
-49099702,CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,POUMFISTNHIPTI-UHFFFAOYSA-N,442.19043551999994,-0.435199999999998,0.87263,CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,LINCOMYCIN HYDROCHLORIDE,Inactive,
-39949682,CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12,IMKJGXCIJJXALX-UHFFFAOYSA-N,250.193280072,3.934600000000003,0.873315,CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12,SCLAREOLIDE,Inactive,
-43229521,CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl,NZDMFGKECODQRY-UHFFFAOYSA-N,313.159727448,4.633200000000005,0.87361,CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl,MAPROTILINE HYDROCHLORIDE,Inactive,
-41346247,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,AZSNMRSAGSSBNP-UHFFFAOYSA-N,874.5078570480001,5.601400000000008,0.87384,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,
-10917543,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,NFACJZMKEDPNKN-UHFFFAOYSA-N,255.92257840599999,2.1609000000000003,0.87408,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,TRICHLORFON,Inactive,
-52695011,Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,HXCNRYXBZNHDNE-UHFFFAOYSA-N,393.18525522799996,3.2794200000000027,0.87426,Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,PIRENPERONE,Inactive,
-12096187,COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,WMPXPUYPYQKQCX-UHFFFAOYSA-N,280.063011244,0.8682000000000001,0.874365,COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,SULFAMONOMETHOXINE,Inactive,
-33677831,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,435.938706428,4.279179999999999,0.874715,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F,FIPRONIL,Inactive,
-76885418,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,WIMWMKZEIBHDTH-UHFFFAOYSA-N,350.131654128,4.950200000000005,0.87512,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,CLOMIPRAMINE HYDROCHLORIDE,Inactive,
-32629727,Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,RPZBRGFNBNQSOP-UHFFFAOYSA-N,477.19315281599995,4.451380000000002,0.875125,Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,VILAZODONE HYDROCHLORIDE,Inactive,
-23341536,COc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2,YECHEDVCXXVLIY-UHFFFAOYSA-N,450.20423867999995,4.824000000000004,0.87533,COc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2,CYCLOVERATRYLENE,Inactive,
-95131252,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,KVAGRMDUXLYLAZ-UHFFFAOYSA-N,858.3310148880001,3.665600000000003,0.87616,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,
-96649355,Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(O)c1C(=O)O,HEMSJKZDHNSSEW-UHFFFAOYSA-N,318.073952788,2.337640000000001,0.87651,Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(O)c1C(=O)O,LECANORIC ACID,Inactive,
-55108940,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,SNWQKAWITMVCQW-UHFFFAOYSA-N,362.0572571679999,1.4619000000000002,0.876785,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,PHTHALYLSULFACETAMIDE,Inactive,
-88001241,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)c1ccco1)C(=O)CCl,WOFMFGQZHJDGCX-UHFFFAOYSA-N,520.1419440399999,4.869200000000005,0.877135,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)c1ccco1)C(=O)CCl,MOMETASONE FUROATE,Inactive,
-54934725,NNCCc1ccccc1.O=S(=O)(O)O,RXBKMJIPNDOHFR-UHFFFAOYSA-N,234.067427928,0.0395999999999993,0.877435,NNCCc1ccccc1.O=S(=O)(O)O,PHENELZINE SULFATE,Inactive,
-91899664,Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1.Cl,WYUYEJNGHIOFOC-UHFFFAOYSA-N,314.154976416,4.339320000000004,0.877595,Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1.Cl,TRIPROLIDINE HYDROCHLORIDE,Inactive,
-39253644,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,FTLDJPRFCGDUFH-UHFFFAOYSA-N,467.314792172,3.2401000000000018,0.877655,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,OXETHAZAINE,Inactive,
-55173679,Nc1ccccc1C(=O)CC(N)C(=O)O,YGPSJZOEDVAXAB-UHFFFAOYSA-N,208.084792244,0.2535000000000001,0.877725,Nc1ccccc1C(=O)CC(N)C(=O)O,KYNURENINE,Inactive,
-41768657,COc1cccc(-c2cc(=O)c3cc(OC)ccc3o2)c1,LLLIKVGWTVPYAL-UHFFFAOYSA-N,282.089208928,3.4772000000000025,0.877765,COc1cccc(-c2cc(=O)c3cc(OC)ccc3o2)c1,"6,3'-DIMETHOXYFLAVONE",Inactive,
-41734225,O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21,AFHJQYHRLPMKHU-UHFFFAOYSA-N,418.12638228399993,-0.8912000000000002,0.87809,O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21,ALOIN,Inactive,
-77763700,CCC=CCC1=C(C)CCC1=O,XMLSXPIVAXONDL-UHFFFAOYSA-N,164.120115132,3.022100000000002,0.878335,CCC=CCC1=C(C)CCC1=O,JASMONE,Inactive,
-28780488,CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C,PSGAAPLEWMOORI-UHFFFAOYSA-N,386.245709568,4.655200000000004,0.878445,CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C,MEDROXYPROGESTERONE ACETATE,Inactive,
-48281131,CCC(C=CC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C,MKGZDUKUQPPHFM-UHFFFAOYSA-N,410.354866092,8.00900000000001,0.87856,CCC(C=CC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C,"STIGMASTA-4,22-DIEN-3-ONE",Inactive,
-52639893,CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12.O=C(O)C=CC(=O)O,CPDDZSSEAVLMRY-UHFFFAOYSA-N,417.2012189639999,2.52637,0.878755,CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12.O=C(O)C=CC(=O)O,TEGASEROD MALEATE,Inactive,
-64797667,COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1,HDDSHPAODJUKPD-UHFFFAOYSA-N,299.0728476560001,3.892400000000001,0.87932,COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1,FENBENDAZOLE,Inactive,
-10664991,O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1,OLNTVTPDXPETLC-UHFFFAOYSA-N,409.148949972,4.888300000000004,0.879575,O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1,EZETIMIBE,Inactive,
-30259637,CCNC(=O)C=Cc1cccc(Br)c1,LDCXGZCEMNMWIL-UHFFFAOYSA-N,253.010226104,2.5984000000000007,0.879715,CCNC(=O)C=Cc1cccc(Br)c1,CINROMIDE,Inactive,
-49680616,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,RJMUSRYZPJIFPJ-UHFFFAOYSA-N,325.986112096,3.859500000000001,0.87983,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,NICLOSAMIDE,Inactive,
-81265237,Cl.NCCc1c[nH]c2ccc(O)cc12,MDIGAZPGKJFIAH-UHFFFAOYSA-N,212.071640716,1.7965,0.880305,Cl.NCCc1c[nH]c2ccc(O)cc12,SEROTONIN HYDROCHLORIDE,Inactive,
-90946848,CCCCCCCCC(=O)O,FBUKVWPVBMHYJY-UHFFFAOYSA-N,158.130679816,2.821600000000001,0.880595,CCCCCCCCC(=O)O,PELARGONIC ACID,Inactive,
-96349140,CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,TZFNLOMSOLWIDK-UHFFFAOYSA-N,226.095356928,-0.05310000000000015,0.88066,CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,CARBIDOPA,Inactive,
-94660609,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,RYHCACJBKCOBTJ-UHFFFAOYSA-N,473.24135245999986,3.3254,0.88079,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,ALVERINE CITRATE,Inactive,
-53585599,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl,KNZADIMHVBBPOA-UHFFFAOYSA-N,325.180856816,4.3460000000000045,0.88096,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl,DYCLONINE HYDROCHLORIDE,Inactive,
-89802333,CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CSC12)c1ccco1,KEJCWVGMRLCZQQ-UHFFFAOYSA-N,510.1056639039999,-0.16829999999999856,0.88119,CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CSC12)c1ccco1,CEFUROXIME AXETIL,Inactive,
-36229602,O=C1c2c(O)cccc2Cc2cccc(O)c21,NUZWLKWWNNJHPT-UHFFFAOYSA-N,226.06299418,2.233000000000001,0.88165,O=C1c2c(O)cccc2Cc2cccc(O)c21,ANTHRALIN,Inactive,
-83579799,OCC(O)C(O)CO,UNXHWFMMPAWVPI-UHFFFAOYSA-N,122.0579088,-2.3071999999999995,0.882035,OCC(O)C(O)CO,ERYTHRITOL,Inactive,
-91127680,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O,QAQJMLQRFWZOBN-UHFFFAOYSA-N,414.26175355599986,4.624800000000002,0.882085,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O,ASCORBYL PALMITATE,Inactive,
-82564264,CCC1(C2=NCCN2)Cc2ccccc2O1.Cl,DWOIUCRHVWIHAH-UHFFFAOYSA-N,252.102940844,2.193800000000001,0.88257,CCC1(C2=NCCN2)Cc2ccccc2O1.Cl,EFAROXAN HYDROCHLORIDE,Inactive,
-10662880,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,KAATUXNTWXVJKI-UHFFFAOYSA-N,415.074198828,6.177980000000004,0.88283,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CYPERMETHRIN,Inactive,
-56510495,CC=Cc1ccc2c(c1)OCO2,VHVOLFRBFDOUSH-UHFFFAOYSA-N,162.06807956,2.4484000000000004,0.882925,CC=Cc1ccc2c(c1)OCO2,ISOSAFROLE,Inactive,
-23358883,CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl,PPWHTZKZQNXVAE-UHFFFAOYSA-N,300.16045572,3.0388000000000024,0.883015,CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl,TETRACAINE HYDROCHLORIDE,Inactive,
-74855011,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,SWLMUYACZKCSHZ-UHFFFAOYSA-N,410.017802584,6.637000000000003,0.883045,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,BUTOCONAZOLE,Inactive,
-32570092,CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl,WIELVDXKOYPANK-UHFFFAOYSA-N,353.212156944,4.6573000000000055,0.88325,CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl,DROFENINE HYDROCHLORIDE,Inactive,
-10011876,CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,DCTLJGWMHPGCOS-UHFFFAOYSA-N,404.1623738679999,5.564100000000006,0.883485,CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,OSAJIN,Inactive,
-56689407,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,DHTLLULITDNQFA-UHFFFAOYSA-N,427.0984954279999,6.0228000000000055,0.88417,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,AMODIAQUINE DIHYDROCHLORIDE,Inactive,
-11430059,CC(=O)O.N=C(N)NN=Cc1c(Cl)cccc1Cl,MCSPBPXATWBACD-UHFFFAOYSA-N,290.033730984,1.90127,0.884815,CC(=O)O.N=C(N)NN=Cc1c(Cl)cccc1Cl,GUANABENZ ACETATE,Inactive,
-23530061,CC(C)=CCCC(C)=CCO,GLZPCOQZEFWAFX-UHFFFAOYSA-N,154.135765196,2.6714000000000016,0.884965,CC(C)=CCCC(C)=CCO,NEROL,Inactive,
-85860394,Cn1c(=O)c2c(ncn2C)n(C)c1=O,RYYVLZVUVIJVGH-UHFFFAOYSA-N,194.08037556,-1.0293,0.88504,Cn1c(=O)c2c(ncn2C)n(C)c1=O,CAFFEINE,Inactive,
-22319108,COC1=CC(=O)c2ccccc2C1=O,OBGBGHKYJAOXRR-UHFFFAOYSA-N,188.047344116,1.5958999999999999,0.885225,COC1=CC(=O)c2ccccc2C1=O,LAWSONE METHYL ETHER,Inactive,
-55772950,C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2],YMCOHQVWOBMDCZ-UHFFFAOYSA-L,430.20615189599994,4.083700000000003,0.885375,C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2],ZINC UNDECYLENATE [4mM],Inactive,
-33896906,COc1cc2occc2c2oc(=O)ccc12,AJSPSRWWZBBIOR-UHFFFAOYSA-N,216.042258736,2.5478000000000005,0.88559,COc1cc2occc2c2oc(=O)ccc12,ISOBERGAPTEN,Inactive,
-86712352,CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl,JIVSXRLRGOICGA-UHFFFAOYSA-N,320.111397352,4.662800000000004,0.88583,CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl,PROMAZINE HYDROCHLORIDE,Inactive,
-89017904,CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1,RSDDHGSKLOSQFK-UHFFFAOYSA-N,298.15689456399997,4.864500000000005,0.88606,CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1,AURAPTENE,Inactive,
-18642798,c1ccc2c(c1)Nc1ccccc1S2,WJFKNYWRSNBZNX-UHFFFAOYSA-N,199.045570288,3.894800000000001,0.88631,c1ccc2c(c1)Nc1ccccc1S2,PHENOTHIAZINE,Inactive,
-94762631,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-],RLQYRXCUPVKSAW-UHFFFAOYSA-M,387.123735864,0.3887999999999998,0.88656,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-],PALMATINE CHLORIDE,Inactive,
-63874452,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,LPEPZBJOKDYZAD-UHFFFAOYSA-N,281.06636322,4.1472000000000016,0.886755,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,FLUFENAMIC ACID,Inactive,
-93386384,C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C,IMSSROKUHAOUJS-UHFFFAOYSA-N,310.193280072,3.915600000000003,0.88683,C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C,MESTRANOL,Inactive,
-83611884,CCC1(CC)C(=O)NC(=O)NC1=O,FTOAOBMCPZCFFF-UHFFFAOYSA-N,184.084792244,0.15879999999999994,0.887475,CCC1(CC)C(=O)NC(=O)NC1=O,BARBITAL,Inactive,
-73725653,CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,GUGOEEXESWIERI-UHFFFAOYSA-N,471.31372955200004,6.445800000000008,0.888275,CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,TERFENADINE,Inactive,
-50424568,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-],OSZNNLWOYWAHSS-UHFFFAOYSA-M,334.1198574239999,1.0367000000000002,0.88869,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-],NEOSTIGMINE METHYLSULFATE,Inactive,
-63359444,O=C([O-])C(O)C(O)C(O)C(O)CO.[Na+],UPMFZISCCZSDND-UHFFFAOYSA-M,218.04024697199998,-7.823799999999997,0.888765,O=C([O-])C(O)C(O)C(O)C(O)CO.[Na+],SODIUM GLUCONATE,Inactive,
-96226411,CC(=O)Nc1ccc(OC(C)=O)cc1,UJAOSPFULOFZRR-UHFFFAOYSA-N,193.073893212,1.5702999999999998,0.88893,CC(=O)Nc1ccc(OC(C)=O)cc1,DIACETAMATE,Inactive,
-67730660,O.O=C(O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,UXXCUDYYOMDFPX-UHFFFAOYSA-N,358.189257312,1.7339999999999989,0.889305,O.O=C(O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,YOHIMBIC ACID HYDRATE,Inactive,
-47453898,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,HPJKCIUCZWXJDR-UHFFFAOYSA-N,285.101445352,2.65916,0.89003,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,LETROZOLE,Inactive,
-28243836,COc1cc2c(c3ccccc13)OC(C)(C)C=C2,BFGQXXNDFKWDMA-UHFFFAOYSA-N,240.115029752,4.032600000000003,0.89034,COc1cc2c(c3ccccc13)OC(C)(C)C=C2,LAPACHENOL,Inactive,
-51820926,O=C1C=C(O)C(=O)c2ccccc21,CSFWPUWCSPOLJW-UHFFFAOYSA-N,174.031694052,1.5075,0.89072,O=C1C=C(O)C(=O)c2ccccc21,LAWSONE,Inactive,
-83968990,O=C(O)c1cccc(C(=O)O)n1,WJJMNDUMQPNECX-UHFFFAOYSA-N,167.02185764,0.4779999999999999,0.89073,O=C(O)c1cccc(C(=O)O)n1,DIPICOLINIC ACID,Inactive,
-10403326,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,YZBLFMPOMVTDJY-UHFFFAOYSA-N,639.3771176559998,5.7289000000000065,0.890735,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,
-35200973,N#CCCN.O=C(O)C=CC(=O)O,NYPGBHKJFKQTIY-UHFFFAOYSA-N,186.0640568,-0.42942000000000063,0.891325,N#CCCN.O=C(O)C=CC(=O)O,3-AMINOPROPIONITRILE FUMARATE,Inactive,
-61091489,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,BMQGVNUXMIRLCK-UHFFFAOYSA-N,835.377905504,4.5678000000000045,0.892115,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,
-46486992,O=C(CCCCCCCC(=O)NCCO)NCCO,PAHZPHDAJQIETD-UHFFFAOYSA-N,274.189257312,-0.06589999999999929,0.892175,O=C(CCCCCCCC(=O)NCCO)NCCO,ADELMIDROL,Inactive,
-77241344,CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O.Cl,ZDRBJJNXJOSCLR-UHFFFAOYSA-N,415.135757092,-3.906229999999994,0.892335,CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O.Cl,KASUGAMYCIN HYDROCHLORIDE,Inactive,
-10053671,CS(=O)(=O)OCCCCOS(C)(=O)=O,COVZYZSDYWQREU-UHFFFAOYSA-N,246.023180168,-0.2809999999999997,0.89236,CS(=O)(=O)OCCCCOS(C)(=O)=O,BUSULFAN,Inactive,
-80153232,COc1ccc2c(c1)OC1c3ccc(OC)cc3OCC21,VPGIGLKLCFOWDN-UHFFFAOYSA-N,284.104858992,3.3135000000000012,0.892985,COc1ccc2c(c1)OC1c3ccc(OC)cc3OCC21,HOMOPTEROCARPIN,Inactive,
-56455037,[N-]=[N+]=CC(=O)OCC(N)C(=O)O,MZZGOOYMKKIOOX-UHFFFAOYSA-N,173.043655704,-1.7578999999999994,0.89322,[N-]=[N+]=CC(=O)OCC(N)C(=O)O,AZASERINE,Inactive,
-43096510,CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,ILKJAFIWWBXGDU-UHFFFAOYSA-N,502.23668168,3.5238000000000023,0.89339,CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,AMCINONIDE,Inactive,
-79392509,CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21.[Na+],VWBQYTRBTXKKOG-UHFFFAOYSA-M,446.2280477399999,-1.8902999999999948,0.89343,CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21.[Na+],PRAVASTATIN SODIUM,Inactive,
-17548010,CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,PESKGJQREUXSRR-UHFFFAOYSA-N,386.354866092,7.676800000000009,0.893735,CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CHOLESTAN-3-ONE,Inactive,
-29464365,O=C(Oc1cccc2cccnc12)c1ccccc1,BHKPHCKISVSDGV-UHFFFAOYSA-N,249.078978592,3.4540000000000015,0.89384,O=C(Oc1cccc2cccnc12)c1ccccc1,BENZOXIQUINE,Inactive,
-97582241,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,CXQXSVUQTKDNFP-UHFFFAOYSA-N,236.10840959799998,3.391200000000002,0.893865,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,DIMETHICONE (1%/ DMSO),Inactive,
-10392769,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,NHUHCSRWZMLRLA-UHFFFAOYSA-N,267.067762276,1.67444,0.893925,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,SULFISOXAZOLE,Inactive,
-67208642,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,SJRXVLUZMMDCNG-UHFFFAOYSA-N,480.09039069999983,-0.8333000000000006,0.89417,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,GOSSYPIN,Inactive,
-57611862,CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,MPDGHEJMBKOTSU-UHFFFAOYSA-N,470.33960995199993,6.412600000000009,0.894225,CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,ENOXOLONE,Inactive,
-79958157,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,ZNNLBTZKUZBEKO-UHFFFAOYSA-N,493.14381967599996,3.641700000000003,0.894285,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,GLYBURIDE,Inactive,
-78532215,O=C(O)C=CC=Cc1ccccc1,FEIQOMCWGDNMHM-UHFFFAOYSA-N,174.06807956,2.3406000000000002,0.894475,O=C(O)C=CC=Cc1ccccc1,JUAREZIC ACID,Inactive,
-11066991,Nc1nc(N)nc(NC2CC2)n1,LVQDKIWDGQRHTE-UHFFFAOYSA-N,166.09669431999998,-0.3897000000000006,0.89464,Nc1nc(N)nc(NC2CC2)n1,CYROMAZINE,Inactive,
-43274569,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl,IWSWDOUXSCRCKW-UHFFFAOYSA-N,423.167331992,1.4785999999999997,0.895,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl,TERAZOSIN HYDROCHLORIDE,Inactive,
-58050167,CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C32OO4,FIHJKUPKCHIPAT-UHFFFAOYSA-N,384.17841785599995,2.6024000000000003,0.895105,CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C32OO4,ARTESUNATE,Inactive,
-35506847,CC(C)NCC(O)c1ccc(O)c(O)c1.Cl,IROWCYIEJAOFOW-UHFFFAOYSA-N,247.097521116,1.5510000000000004,0.89544,CC(C)NCC(O)c1ccc(O)c(O)c1.Cl,ISOPROTERENOL HYDROCHLORIDE,Inactive,
-65404722,CN(C)CCS,DENMGZODXQRYAR-UHFFFAOYSA-N,105.06122035199999,0.47779999999999995,0.895535,CN(C)CCS,CAPTAMINE,Inactive,
-54429586,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,ZWCXYZRRTRDGQE-UHFFFAOYSA-N,1881.0705330199994,4.372299999999978,0.895725,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,
-10390940,COc1c(O)cc(O)cc1O,ASTPOGDWGNJVEW-UHFFFAOYSA-N,156.042258736,0.8119999999999996,0.89596,COc1c(O)cc(O)cc1O,IRETOL,Inactive,
-67109982,Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O,ZZBWSNKBZKPGAK-UHFFFAOYSA-N,240.078644244,2.541420000000001,0.895965,Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O,CHRYSAROBIN,Inactive,
-46275263,Cc1cccc(C)c1OCC(C)N.Cl,NFEIBWMZVIVJLQ-UHFFFAOYSA-N,215.107691876,2.45124,0.896155,Cc1cccc(C)c1OCC(C)N.Cl,MEXILETINE HYDROCHLORIDE,Inactive,
-10587219,CCC1(c2ccccc2)C(=O)NCNC1=O,DQMZLTXERSFNPB-UHFFFAOYSA-N,218.105527688,0.5378999999999999,0.89621,CCC1(c2ccccc2)C(=O)NCNC1=O,PRIMIDONE,Inactive,
-56750920,CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)c6ccccc6)C(C)(C)C5CCC43C)C2C1,FJFGMZSGRVIUSZ-UHFFFAOYSA-N,530.412380968,10.033599999999996,0.896395,CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)c6ccccc6)C(C)(C)C5CCC43C)C2C1,beta-AMYRIN BENZOATE,Inactive,
-10109685,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,YBVNFKZSMZGRAD-UHFFFAOYSA-N,592.1872853519999,0.615840000000003,0.896595,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,PENTAMIDINE ISETHIONATE,Inactive,
-55592621,COc1ccc2c(c1)[nH]c1c(C)nccc12,BXNJHAXVSOCGBA-UHFFFAOYSA-N,212.094963004,3.033120000000001,0.896595,COc1ccc2c(c1)[nH]c1c(C)nccc12,HARMINE,Inactive,
-50084175,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,KJFMBFZCATUALV-UHFFFAOYSA-N,318.089208928,3.560100000000002,0.896785,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,PHENOLPHTHALEIN,Inactive,
-66475999,COc1ccc(C=CC(=O)c2cc(O)ccc2O)cc1,FUQGIYDZGLORRC-UHFFFAOYSA-N,270.089208928,3.0025000000000013,0.897105,COc1ccc(C=CC(=O)c2cc(O)ccc2O)cc1,"2',5'-DIHYDROXY-4-METHOXYCHALCONE",Inactive,
-71593568,CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,WDQPAMHFFCXSNU-UHFFFAOYSA-N,472.12215206400003,7.489800000000005,0.897245,CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,CLOFAZIMINE,Inactive,
-16581508,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,SBNFWQZLDJGRLK-UHFFFAOYSA-N,350.18819469199997,5.760500000000005,0.897485,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,PHENOTHRIN,Inactive,
-10074441,CC(=O)CCc1ccc(OC(C)=O)cc1,UMIKWXDGXDJQJK-UHFFFAOYSA-N,206.094294308,2.1334999999999997,0.897515,CC(=O)CCc1ccc(OC(C)=O)cc1,CUELURE,Inactive,
-10057324,C=CC(C)(O)CCC=C(C)CCC=C(C)C,FQTLCLSUCSAZDY-UHFFFAOYSA-N,222.198365452,4.396300000000004,0.898115,C=CC(C)(O)CCC=C(C)CCC=C(C)C,NEROLIDOL,Inactive,
-15689947,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,NEYNJQRKHLUJRU-UHFFFAOYSA-N,767.331247148,1.5202000000000044,0.899695,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,
-47331323,CN(CC=Cc1ccccc1)Cc1cccc2ccccc12.Cl,OLUNPKFOFGZHRT-UHFFFAOYSA-N,323.14407738399996,5.406800000000005,0.89979,CN(CC=Cc1ccccc1)Cc1cccc2ccccc12.Cl,NAFTIFINE HYDROCHLORIDE,Inactive,
-22007979,O=C(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,JYTUSYBCFIZPBE-UHFFFAOYSA-N,358.1111261439999,-5.668899999999993,0.89981,O=C(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,LACTOBIONIC ACID,Inactive,
-10236515,Cc1cc(=O)oc2cc(O)ccc12,HSHNITRMYYLLCV-UHFFFAOYSA-N,176.047344116,1.8070199999999998,0.900245,Cc1cc(=O)oc2cc(O)ccc12,HYMECHROME,Inactive,
-18292812,Cc1nccc2c1[nH]c1cc(O)ccc12,SATMZMMKDDTOSQ-UHFFFAOYSA-N,198.07931294,2.7301200000000003,0.900265,Cc1nccc2c1[nH]c1cc(O)ccc12,HARMOL,Inactive,
-10174781,CC(=O)O[PbH2]OC(C)=O,NJJJCKUBWUKYFT-UHFFFAOYSA-L,328.0189108359999,-0.8886000000000001,0.90081,CC(=O)O[PbH2]OC(C)=O,LEAD ACETATE,Inactive,
-11048863,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,VACCAVUAMIDAGB-UHFFFAOYSA-N,270.02451756,1.2295199999999997,0.901995,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,SULFAMETHIZOLE,Inactive,
-84043398,COc1ccc2c(=O)cc(-c3ccccc3)oc2c1OC,KJRQQECDVUXBCO-UHFFFAOYSA-N,282.089208928,3.4772000000000025,0.902045,COc1ccc2c(=O)cc(-c3ccccc3)oc2c1OC,"7,8-DIMETHOXYFLAVONE",Inactive,
-59895375,CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC,SSQPWTVBQMWLSZ-UHFFFAOYSA-N,330.255880328,6.471200000000007,0.902335,CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC,OMEGA-3-ACID ESTERS (EPA shown),Inactive,
-30298757,C=CCc1ccc(OC)cc1,ZFMSMUAANRJZFM-UHFFFAOYSA-N,148.088815004,2.4237,0.9027,C=CCc1ccc(OC)cc1,ESTRAGOLE,Inactive,
-40282268,O=c1c(O)cccc2cc(O)c(O)c(O)c12,WDGFFVCWBZVLCE-UHFFFAOYSA-N,220.037173356,1.0223999999999998,0.903155,O=c1c(O)cccc2cc(O)c(O)c(O)c12,PURPUROGALLIN,Inactive,
-84485234,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,SGRYPYWGNKJSDL-UHFFFAOYSA-N,298.095356928,2.745,0.90321,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,AMLEXANOX,Inactive,
-35916771,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,NDAUXUAQIAJITI-UHFFFAOYSA-N,239.152143532,1.3059999999999998,0.903255,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,ALBUTEROL,Inactive,
-10609248,Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1,UHDGCWIWMRVCDJ-UHFFFAOYSA-N,243.085520516,-2.563,0.90347,Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1,CYTARABINE,Inactive,
-10762499,C=CCc1ccccc1OCC(O)CNC(C)C.Cl,RRCPAXJDDNWJBI-UHFFFAOYSA-N,285.14955668799996,2.5746000000000007,0.903685,C=CCc1ccccc1OCC(O)CNC(C)C.Cl,ALPRENOLOL HYDROCHLORIDE,Inactive,
-50676104,COC(=O)c1c(C)cc(OC)cc1O,PFVPJOAAHSOENR-UHFFFAOYSA-N,196.073558864,1.4958199999999997,0.903785,COC(=O)c1c(C)cc(OC)cc1O,SPARASSOL,Inactive,
-51846784,CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C,LGJMUZUPVCAVPU-UHFFFAOYSA-N,416.401816284,8.10470000000001,0.903915,CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C,FUCOSTANOL,Inactive,
-24937372,O=C(C=Cc1ccc(O)cc1)c1ccccc1O,FGPJTMCJNPRZGF-UHFFFAOYSA-N,240.078644244,2.9939000000000013,0.90399,O=C(C=Cc1ccc(O)cc1)c1ccccc1O,"2',4-DIHYDROXYCHALCONE",Inactive,
-34114001,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,MJJALKDDGIKVBE-UHFFFAOYSA-N,469.29807948800004,7.217600000000008,0.904095,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,EBASTINE,Inactive,
-70741954,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,RJKFOVLPORLFTN-UHFFFAOYSA-N,314.2245802,4.723500000000005,0.904175,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,PROGESTERONE,Inactive,
-56806418,O=C(Nc1ccccc1)Nc1ccccc1,GWEHVDNNLFDJLR-UHFFFAOYSA-N,212.094963004,3.3306000000000013,0.90431,O=C(Nc1ccccc1)Nc1ccccc1,DIPHENYLUREA,Inactive,
-31874702,COc1ccc(-c2coc3cc(OC)ccc3c2=O)c(O)c1,ZQOPJNNVXTYJMC-UHFFFAOYSA-N,298.084123548,3.182800000000002,0.90447,COc1ccc(-c2coc3cc(OC)ccc3c2=O)c(O)c1,"7,4'-DIMETHOXY-2'-HYDROXY-ISOFLAVONE",Inactive,
-11037192,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],WBZFUFAFFUEMEI-UHFFFAOYSA-M,200.949810288,-2.9304999999999994,0.90483,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],ACESULFAME POTASSIUM,Inactive,
-11535236,O=P1(NCCCl)OCCCN1CCCl,HOMGKSMUEGBAAB-UHFFFAOYSA-N,260.02481971,1.884,0.904985,O=P1(NCCCl)OCCCN1CCCl,IFOSFAMIDE,Inactive,
-97549743,COc1c2occc2cc2ccc(=O)oc12,QXKHYNVANLEOEG-UHFFFAOYSA-N,216.042258736,2.5478000000000005,0.905025,COc1c2occc2cc2ccc(=O)oc12,METHOXSALEN,Inactive,
-33167139,CCC(CO)NC(=O)C1C=C2c3cccc4c3c(cn4C)CC2N(C)C1.O=C(O)C=CC(=O)O,LWYXFDXUMVEZKS-UHFFFAOYSA-N,469.22128571199994,1.6468999999999996,0.905345,CCC(CO)NC(=O)C1C=C2c3cccc4c3c(cn4C)CC2N(C)C1.O=C(O)C=CC(=O)O,METHYSERGIDE MALEATE,Inactive,
-25210794,Cl.NCCCC(=O)O,QPGLUEKHBNOAHG-UHFFFAOYSA-N,139.04000624,0.23169999999999996,0.905435,Cl.NCCCC(=O)O,gamma-AMINOBUTYRIC ACID HYDROCHLORIDE,Inactive,
-87589561,CC(S)C(=O)NCC(=O)O,YTGJWQPHMWSCST-UHFFFAOYSA-N,163.030314148,-0.49450000000000044,0.905885,CC(S)C(=O)NCC(=O)O,TIOPRONIN,Inactive,
-85286348,CCOc1ccc(Cc2cc(C3OC(CO)C(O)C(O)C3O)ccc2Cl)cc1,JVHXJTBJCFBINQ-UHFFFAOYSA-N,408.1339662,1.8443999999999996,0.905945,CCOc1ccc(Cc2cc(C3OC(CO)C(O)C(O)C3O)ccc2Cl)cc1,DAPAGLIFLOZIN,Inactive,
-42456340,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,QLFZZSKTJWDQOS-UHFFFAOYSA-N,898.5078570480001,5.911600000000009,0.90645,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,
-94645383,COc1ccc(CC(=O)c2ccc(O)cc2O)cc1,XHBZOAYMBBUURD-UHFFFAOYSA-N,258.089208928,2.5318000000000005,0.906565,COc1ccc(CC(=O)c2ccc(O)cc2O)cc1,ONONETIN,Inactive,
-26136560,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,RMMXLENWKUUMAY-UHFFFAOYSA-N,514.2368762,7.2644200000000065,0.906695,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,TELMISARTAN,Inactive,
-32940980,CNCCC(Oc1cccc2ccccc12)c1cccs1.Cl,BFFSMCNJSOPUAY-UHFFFAOYSA-N,333.09541294,5.052700000000004,0.907025,CNCCC(Oc1cccc2ccccc12)c1cccs1.Cl,DULOXETINE HYDROCHLORIDE,Inactive,
-74747668,COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC,NZHGWWWHIYHZNX-UHFFFAOYSA-N,327.110672644,3.0539000000000014,0.9072,COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC,TRANILAST,Inactive,
-93182779,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,XZZXIYZZBJDEEP-UHFFFAOYSA-N,316.17062648,4.296800000000005,0.907295,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,IMIPRAMINE HYDROCHLORIDE,Inactive,
-45607535,CC1(O)CCOC(=O)C1,JYVXNLLUYHCIIH-UHFFFAOYSA-N,130.06299418,0.07440000000000002,0.907555,CC1(O)CCOC(=O)C1,MEVALONIC ACID LACTONE,Inactive,
-43774312,CC1(C)C2CCC1(C)C(O)C2,DTGKSKDOIYIVQL-UHFFFAOYSA-N,154.135765196,2.1935000000000002,0.908065,CC1(C)C2CCC1(C)C(O)C2,BORNEOL,Inactive,
-89554941,COC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O,NHTTYMNGELRKMP-UHFFFAOYSA-N,256.10994437200003,3.322400000000002,0.90809,COC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O,LAPACHOL METHYL ETHER,Inactive,
-10402815,Cl.N=C(N)NN,UBDZFAGVPPMTIT-UHFFFAOYSA-N,110.03592390399999,-1.2350300000000005,0.909215,Cl.N=C(N)NN,PIMAGEDINE HYDROCHLORIDE,Inactive,
-62915912,COc1cc(C=CC(=O)N2CCCCCCC2)cc(OC)c1OC,MDGVCMGGLSOVIQ-UHFFFAOYSA-N,333.194008344,3.5183000000000026,0.909395,COc1cc(C=CC(=O)N2CCCCCCC2)cc(OC)c1OC,CINOCTRAMIDE,Inactive,
-69842031,CC(C)=CC1C(C(=O)O)C1(C)C,XLOPRKKSAJMMEW-UHFFFAOYSA-N,168.115029752,2.3094,0.910455,CC(C)=CC1C(C(=O)O)C1(C)C,CHRYSANTHEMIC ACID,Inactive,
-10379936,COc1cc2c(cc1OC)C(=O)OC2,UKFAWRZYFYOXEG-UHFFFAOYSA-N,194.0579088,1.3741999999999999,0.910625,COc1cc2c(cc1OC)C(=O)OC2,METAMECONINE,Inactive,
-54286052,CCOc1cc(C=O)ccc1O,CBOQJANXLMLOSS-UHFFFAOYSA-N,166.06299418,1.6034,0.910635,CCOc1cc(C=O)ccc1O,ETHYL VANILLIN,Inactive,
-83013774,Cl.Nc1c2c(nc3ccccc13)CCCC2,ZUFVXZVXEJHHBN-UHFFFAOYSA-N,234.09237616,3.1176000000000013,0.910695,Cl.Nc1c2c(nc3ccccc13)CCCC2,TACRINE HYDROCHLORIDE,Inactive,
-37666302,COc1cc(OC)c(OC)cc1C=O,IAJBQAYHSQIQRE-UHFFFAOYSA-N,196.073558864,1.5249,0.910965,COc1cc(OC)c(OC)cc1C=O,ASARYLALDEHYDE,Inactive,
-10270804,O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg]O)c([O-])c(Br)cc12.[Na+].[Na+],SQFDQLBYJKFDDO-UHFFFAOYSA-K,749.8189437360002,-3.8499999999999996,0.91193,O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg]O)c([O-])c(Br)cc12.[Na+].[Na+],MERBROMIN,Inactive,
-61296708,O=C(O)C1C(=CCO)OC2CC(=O)N21.[LiH],TZEKKJSZIPSHNY-UHFFFAOYSA-N,207.07190197,-1.7441000000000002,0.911965,O=C(O)C1C(=CCO)OC2CC(=O)N21.[LiH],CLAVULANATE LITHIUM,Inactive,
-13530126,C=CC1CN2CCC1CC2C(OC(=O)OCC)c1ccnc2ccc(OC)cc12,NSBRKSWSLRQPJW-UHFFFAOYSA-N,396.204907376,4.3540000000000045,0.91201,C=CC1CN2CCC1CC2C(OC(=O)OCC)c1ccnc2ccc(OC)cc12,QUININE ETHYL CARBONATE,Inactive,
-51536456,CC(=O)NC(CC(C)C)C(=O)O,WXNXCEHXYPACJF-UHFFFAOYSA-N,173.10519334,0.6218000000000001,0.91205,CC(=O)NC(CC(C)C)C(=O)O,ACETYL-L-LEUCINE,Inactive,
-84512392,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],HYIMSNHJOBLJNT-UHFFFAOYSA-N,346.11648629599995,2.1756,0.912425,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],NIFEDIPINE,Inactive,
-10363549,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,APGDTXUMTIZLCJ-UHFFFAOYSA-N,460.20971798399984,1.9732999999999998,0.91244,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,PREDNISOLONE HEMISUCCINATE,Inactive,
-64382489,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,JHAYEQICABJSTP-UHFFFAOYSA-N,417.25152322,6.035300000000007,0.91247,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,DECOQUINATE [5mM],Inactive,
-64967769,CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C,QOLRLLFJMZLYQJ-UHFFFAOYSA-N,430.30830982399993,4.972800000000005,0.91267,CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C,HECOGENIN,Inactive,
-10991506,CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O,MQOBSOSZFYZQOK-UHFFFAOYSA-N,318.06588664,3.8130000000000033,0.91272,CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O,FENOFIBRIC ACID,Inactive,
-93617863,CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,AKUJBENLRBOFTD-UHFFFAOYSA-N,434.210466932,2.466500000000001,0.912835,CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,BETAMETHASONE ACETATE,Inactive,
-59571496,CN(CCCl)CCCl,HAWPXGHAZFHHAD-UHFFFAOYSA-N,155.026854712,1.3958,0.91288,CN(CCCl)CCCl,MECHLORETHAMINE,Inactive,
-23558735,OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,MDLAAYDRRZXJIF-UHFFFAOYSA-N,523.170133264,7.532700000000006,0.91296,OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,PENFLURIDOL,Inactive,
-89120587,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,RGCVKNLCSQQDEP-UHFFFAOYSA-N,403.14851113199995,3.942700000000003,0.91331,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,PERPHENAZINE,Inactive,
-57304637,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,QMNWISYXSJWHRY-UHFFFAOYSA-N,784.460906856,0.7241000000000044,0.914235,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,
-42352587,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,BWHLPLXXIDYSNW-UHFFFAOYSA-N,376.16343648799995,-0.048200000000000076,0.914475,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,KETOROLAC TROMETHAMINE,Inactive,
-63334115,CN1C(=O)OC(C)(C)C1=O,IRYJRGCIQBGHIV-UHFFFAOYSA-N,143.058243148,0.37359999999999993,0.91449,CN1C(=O)OC(C)(C)C1=O,TRIMETHADIONE,Inactive,
-69338722,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],ZMMJGEGLRURXTF-UHFFFAOYSA-N,393.08405974,1.1358,0.91453,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],HOMIDIUM BROMIDE,Inactive,
-21585789,C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,FVWJYYTZTCVBKE-UHFFFAOYSA-N,442.38108084,6.997200000000009,0.91458,C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,BETULIN,Inactive,
-47165045,CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O,CBVCZFGXHXORBI-UHFFFAOYSA-N,613.362804984,2.8669000000000016,0.91506,CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O,INDINAVIR SULFATE,Inactive,
-56861037,CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl,YEJAJYAHJQIWNU-UHFFFAOYSA-N,417.13746777999995,4.719300000000006,0.91518,CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl,AZELASTINE HYDROCHLORIDE,Inactive,
-87539212,OCCSCCO,YODZTKMDCQEPHD-UHFFFAOYSA-N,122.04015056,-0.2958,0.91528,OCCSCCO,THIODIGLYCOL,Inactive,
-10206925,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,LJRDOKAZOAKLDU-UHFFFAOYSA-N,713.263680664,-9.514500000000016,0.915355,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,
-60595347,C#CC1(OC(C)=O)CCC2C3CCC4=CC(=NO)CCC4C3CCC21CC,KIQQMECNKUGGKA-UHFFFAOYSA-N,369.230393852,4.714500000000005,0.91553,C#CC1(OC(C)=O)CCC2C3CCC4=CC(=NO)CCC4C3CCC21CC,NORGESTIMATE,Inactive,
-32565959,CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,RFDAIACWWDREDC-UHFFFAOYSA-N,465.30903809599994,2.564899999999999,0.915715,CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,GLYCOCHOLIC ACID,Inactive,
-10224343,O=C(O)c1ccc[n+]([O-])c1,FJCFFCXMEXZEIM-UHFFFAOYSA-N,139.02694302,0.01819999999999994,0.91606,O=C(O)c1ccc[n+]([O-])c1,OXINIACIC ACID,Inactive,
-77906261,COc1c(-c2ccccc2)oc2c(ccc3ccoc32)c1=O,JANBLZHPNGBWAO-UHFFFAOYSA-N,292.07355886399995,4.214800000000003,0.916075,COc1c(-c2ccccc2)oc2c(ccc3ccoc32)c1=O,KARANJIN,Inactive,
-95661578,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,DQSGVVGOPRWTKI-UHFFFAOYSA-N,802.3571275480003,3.5588000000000024,0.916335,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,
-57586398,CC(C)=CCCC(C)=CCCC(C)=CCO,CRDAMVZIKSXKFV-UHFFFAOYSA-N,222.198365452,4.397900000000004,0.916495,CC(C)=CCCC(C)=CCCC(C)=CCO,"trans,trans-FARNESOL",Inactive,
-10238506,O=C(c1cccnc1)N1CCOCC1,QLPQPTXSAXQCMR-UHFFFAOYSA-N,192.089877624,0.5539999999999999,0.916695,O=C(c1cccnc1)N1CCOCC1,NICOPHOLINE,Inactive,
-56310019,O=C(C=Cc1ccccc1)c1ccc(O)cc1O,JUMSUVHHUVPSOY-UHFFFAOYSA-N,240.078644244,2.9939000000000013,0.916725,O=C(C=Cc1ccccc1)c1ccc(O)cc1O,"2',4'-DIHYDROXYCHALCONE",Inactive,
-43120955,CCOC(=O)c1c(C)cc(OC)cc1O,PJOOIAZRUIIQMU-UHFFFAOYSA-N,210.089208928,1.88592,0.917155,CCOC(=O)c1c(C)cc(OC)cc1O,ETHYL EVERNINATE,Inactive,
-60546287,CC(C)NCC(O)COc1cccc2[nH]ccc12,JZQKKSLKJUAGIC-UHFFFAOYSA-N,248.15247788,1.9055999999999995,0.91724,CC(C)NCC(O)COc1cccc2[nH]ccc12,PINDOLOL,Inactive,
-11199741,CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-],LCTXBFGHZLGBNU-UHFFFAOYSA-M,278.129824288,-1.3404799999999972,0.917325,CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-],AMPROLIUM,Inactive,
-80060569,NC(CSCSCC(N)C(=O)O)C(=O)O,JMQMNWIBUCGUDO-UHFFFAOYSA-N,254.039498928,-0.7658999999999989,0.91738,NC(CSCSCC(N)C(=O)O)C(=O)O,DJENKOLIC ACID,Inactive,
-87171484,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,QXHHHPZILQDDPS-UHFFFAOYSA-N,385.981417076,5.8629000000000016,0.917425,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,TIOCONAZOLE,Inactive,
-45265514,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,TVWRQCIPWUCNMI-UHFFFAOYSA-N,290.97329491600004,2.3481000000000005,0.91772,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,ANAGRELIDE HYDROCHLORIDE,Inactive,
-77947939,CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,CAHGCLMLTWQZNJ-UHFFFAOYSA-N,426.38616621999995,8.479100000000006,0.91795,CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,EUPHOL,Inactive,
-34013605,COc1cc(O)c2c(=O)cc(C)oc2c1CC=C(C)C,KVNRDSLYCOJCRD-UHFFFAOYSA-N,274.120509056,3.324320000000002,0.918475,COc1cc(O)c2c(=O)cc(C)oc2c1CC=C(C)C,HETEROPEUCENIN METHYL ETHER,Inactive,
-63904758,CCCCOC(=O)CCCCCCC(=O)OCCCC,LBXQUCHUHCBNTC-UHFFFAOYSA-N,286.21440944,4.013600000000004,0.918665,CCCCOC(=O)CCCCCCC(=O)OCCCC,DIBUTYL SUBERATE,Inactive,
-68232779,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,CGIGDMFJXJATDK-UHFFFAOYSA-N,357.07678567199997,3.9273200000000026,0.919045,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,INDOMETHACIN,Inactive,
-34706605,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,ODZBBRURCPAEIQ-UHFFFAOYSA-N,332.00078361600004,-0.45710000000000006,0.91915,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,BRIVUDINE,Inactive,
-24945041,OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O,OJYGBLRPYBAHRT-UHFFFAOYSA-N,307.962121112,-0.46290000000000026,0.91921,OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O,CHLORALOSE,Inactive,
-86478974,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,ITPDYQOUSLNIHG-UHFFFAOYSA-N,681.0003675000002,7.358000000000007,0.919235,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,AMIODARONE HYDROCHLORIDE,Inactive,
-84238546,Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,DNFMJYXRIMLMBZ-UHFFFAOYSA-N,361.11125303200004,4.755600000000004,0.91971,Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,CLEMIZOLE HYDROCHLORIDE,Inactive,
-71749475,C=C1CCC(=O)C(C)CCC2C1CC2(C)C,GWBJPNAWYMBRLQ-UHFFFAOYSA-N,220.182715388,3.9841000000000033,0.92017,C=C1CCC(=O)C(C)CCC2C1CC2(C)C,DIHYDROCARYOPHYLLEN-5-ONE,Inactive,
-81740774,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)C=CC(=O)O,SUFUKZSWUHZXAV-UHFFFAOYSA-N,473.12567107599995,2.2027,0.921075,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)C=CC(=O)O,ROSIGLITAZONE MALEATE,Inactive,
-90826761,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,RERZNCLIYCABFS-UHFFFAOYSA-N,214.110613068,2.5416000000000007,0.92112,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,HARMALINE,Inactive,
-43660401,CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1.O=C(O)C(O)C(O)C(=O)O,GWHQHAUAXRMMOT-UHFFFAOYSA-N,400.1845658559999,0.6371000000000009,0.92166,CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1.O=C(O)C(O)C(O)C(=O)O,RIVASTIGMINE TARTRATE,Inactive,
-30169757,CC#CCN1C(N2CCCC(N)C2)=NC2C1C(=O)N(Cc1nc(C)c3ccccc3n1)C(=O)N2C,BTGFGXRESYKOCS-UHFFFAOYSA-N,474.24917220000003,1.1449200000000028,0.921945,CC#CCN1C(N2CCCC(N)C2)=NC2C1C(=O)N(Cc1nc(C)c3ccccc3n1)C(=O)N2C,LINAGLIPTIN,Inactive,
-65325923,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,WYQVAPGDARQUBT-UHFFFAOYSA-N,958.5137302759999,-1.0327999999999866,0.922095,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,
-25665903,CCC(C)C(N)C(=O)O,AGPKZVBTJJNPAG-UHFFFAOYSA-N,131.094628656,0.44439999999999996,0.92251,CCC(C)C(N)C(=O)O,ISOLEUCINE (L),Inactive,
-18076135,CC(=O)Nc1ncc([N+](=O)[O-])s1,UJRRDDHEMZLWFI-UHFFFAOYSA-N,187.00516202,1.0096999999999998,0.922725,CC(=O)Nc1ncc([N+](=O)[O-])s1,NITHIAMIDE,Inactive,
-57673020,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,RHMXXJGYXNZAPX-UHFFFAOYSA-N,270.05282342,1.8872199999999997,0.923205,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,EMODIN,Inactive,
-35888936,NS(=O)(=O)c1ccc(C(=O)O)cc1,UCAGLBKTLXCODC-UHFFFAOYSA-N,201.009578704,0.03219999999999995,0.923955,NS(=O)(=O)c1ccc(C(=O)O)cc1,CARZENIDE,Inactive,
-79427797,CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C,GMBQZIIUCVWOCD-UHFFFAOYSA-N,416.32904526799996,5.793800000000006,0.92409,CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C,SARSASAPOGENIN,Inactive,
-26093532,C[N+]1(C)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2.[Br-],FUFVKLQESJNNAN-UHFFFAOYSA-M,369.093955728,-0.9629999999999976,0.924155,C[N+]1(C)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2.[Br-],HOMATROPINE METHYLBROMIDE,Inactive,
-30389512,COc1cc(OC)c2c(c1Cl)OC1(C2=O)C(O)=CC(=O)CC1C,KUTVEHNZHKAAAO-UHFFFAOYSA-N,338.05571588,2.7219000000000007,0.92479,COc1cc(OC)c2c(c1Cl)OC1(C2=O)C(O)=CC(=O)CC1C,GRISEOFULVIC ACID,Inactive,
-11390489,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(O)C(O)C1C(C)(C)CCC(O)C12C,WPDITXOBNLYZHH-UHFFFAOYSA-N,368.219888744,0.9490999999999989,0.924855,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(O)C(O)C1C(C)(C)CCC(O)C12C,DESACETYLCOLFORSIN,Inactive,
-12051696,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,HYWYRSMBCFDLJT-UHFFFAOYSA-N,308.046692484,2.7586000000000013,0.92525,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,NIMESULIDE,Inactive,
-10529890,CC(=O)OC1CCC2(C)C(CCC3(C)C2C2OC2C24OC(=O)C5(CCC(C)C(C)C52)CCC34C)C1(C)C,YAMVHWVYHOZWMH-UHFFFAOYSA-N,512.350174636,6.322200000000008,0.92529,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,
-48452209,NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,UUKWKUSGGZNXGA-UHFFFAOYSA-N,211.02292026,0.6018999999999999,0.92555,NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,NITROMIDE,Inactive,
-66464175,CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C,RYEFFICCPKWYML-UHFFFAOYSA-N,310.105252916,-0.8672,0.925955,CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C,PICROTIN,Inactive,
-33658934,COc1ccc(O)c(C(C)(C)C)c1,MRBKEAMVRSLQPH-UHFFFAOYSA-N,180.115029752,2.6983000000000006,0.926235,COc1ccc(O)c(C(C)(C)C)c1,BUTYLATED HYDROXYANISOLE,Inactive,
-89294589,CCOc1ccccc1C(N)=O,SBNKFTQSBPKMBZ-UHFFFAOYSA-N,165.078978592,1.1842,0.926305,CCOc1ccccc1C(N)=O,ETHENZAMIDE,Inactive,
-41992184,CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CCC32)C1,YFMSIVMSEGIVCP-UHFFFAOYSA-N,358.25079494799996,5.086100000000005,0.92667,CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CCC32)C1,3-beta-ACETOXYALLOPREG-16-EN-20-ONE,Inactive,
-11322636,CC(=O)Oc1ccc(O)cc1,HBMCQTHGYMTCOF-UHFFFAOYSA-N,152.047344116,1.3175,0.92669,CC(=O)Oc1ccc(O)cc1,4-ACETOXYPHENOL,Inactive,
-85153581,CNCc1ccccc1.Cl,CBSOFSBFHDQRLV-UHFFFAOYSA-N,157.065827064,1.8277999999999999,0.92671,CNCc1ccccc1.Cl,N-METHYLBENZYLAMINE HYDROCHLORIDE,Inactive,
-80531788,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl,VIDRYROWYFWGSY-UHFFFAOYSA-N,308.096141212,1.5112999999999999,0.926725,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl,SOTALOL HYDROCHLORIDE,Inactive,
-56362568,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,FPCCSQOGAWCVBH-UHFFFAOYSA-N,395.16451978399994,2.423800000000001,0.92755,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,KETANSERIN,Inactive,
-11578460,Cl.Cl.NCCSSCCN,YUFRRMZSSPQMOS-UHFFFAOYSA-N,223.99754580799998,1.1288,0.928035,Cl.Cl.NCCSSCCN,CYSTAMINE DIHYDROCHLORIDE,Inactive,
-47967558,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,RKLNONIVDFXQRX-UHFFFAOYSA-N,419.089619296,4.5347000000000035,0.92806,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,BROMPERIDOL,Inactive,
-35111676,O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,BELBBZDIHDAJOR-UHFFFAOYSA-N,354.056194548,3.108600000000001,0.92816,O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,PHENOLSULFONPHTHALEIN,Inactive,
-85809537,COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,RTGDFNSFWBGLEC-UHFFFAOYSA-N,433.210052332,2.52402,0.92835,COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,MYCOPHENOLATE MOFETIL,Inactive,
-99184566,CC12C(=O)OC(=O)C1(C)C1CCC2O1,DHZBEENLJMYSHQ-UHFFFAOYSA-N,196.073558864,0.6436,0.928455,CC12C(=O)OC(=O)C1(C)C1CCC2O1,CANTHARIDIN,Inactive,
-44091864,CC1=NN(c2ccccc2)C(=O)C1,QELUYTUMUWHWMC-UHFFFAOYSA-N,174.07931294,1.7992,0.92879,CC1=NN(c2ccccc2)C(=O)C1,EDARAVONE,Inactive,
-87803843,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl,XWIHRGFIPXWGEF-UHFFFAOYSA-N,377.175771436,3.663200000000003,0.928905,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl,PROPAFENONE HYDROCHLORIDE,Inactive,
-58007682,NC(Cc1cc(I)c(O)c(I)c1)C(=O)O.O.O,YWAGQOOMOOUEGY-UHFFFAOYSA-N,468.8883185159999,-0.09360000000000018,0.929055,NC(Cc1cc(I)c(O)c(I)c1)C(=O)O.O.O,DIIODOTYROSINE DIHYDRATE,Inactive,
-54175507,CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,KBDSLGBFQAGHBE-UHFFFAOYSA-N,470.1940679199999,3.137400000000002,0.92909,CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,LIMONIN,Inactive,
-38598995,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,KVWDHTXUZHCGIO-UHFFFAOYSA-N,312.14086764,3.4392200000000033,0.929205,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,OLANZAPINE,Inactive,
-10948300,COc1ccccc1O,LHGVFZTZFXWLCP-UHFFFAOYSA-N,124.052429496,1.4008,0.929295,COc1ccccc1O,GUAIACOL,Inactive,
-20006014,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,DLRVVLDZNNYCBX-UHFFFAOYSA-N,342.11621152399994,-5.397199999999993,0.9293,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,MELIBIOSE,Inactive,
-65946147,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,ZPBWCRDSRKPIDG-UHFFFAOYSA-N,566.1489646319999,3.199600000000002,0.92938,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,AMLODIPINE BESYLATE,Inactive,
-51448493,C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,QGJZLNKBHJESQX-UHFFFAOYSA-N,456.36034539599996,7.089500000000009,0.929655,C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,BETULINIC ACID,Inactive,
-37137434,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,PMPQCPQAHTXCDK-UHFFFAOYSA-M,443.20965840799994,4.250900000000005,0.92967,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,BEPHENIUM HYDROXYNAPTHOATE,Inactive,
-69886937,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1OC,LKMNXYDUQXAUCZ-UHFFFAOYSA-N,372.12090298,3.503000000000003,0.9298,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1OC,SINENSETIN,Inactive,
-19883406,CC1CCC(C(C)C)C(=O)C1,NFLGAXVYCFJBMK-UHFFFAOYSA-N,154.135765196,2.6477000000000013,0.929845,CC1CCC(C(C)C)C(=O)C1,MENTHONE,Inactive,
-66390311,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,XGALLCVXEZPNRQ-UHFFFAOYSA-N,446.15209652799996,4.275600000000003,0.930015,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,GEFITINIB,Inactive,
-77843848,COc1ccc(-c2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1,VXOBVHAUXZVHTL-UHFFFAOYSA-N,368.089602852,3.319200000000002,0.93006,COc1ccc(-c2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1,BIOCHANIN A DIACETATE,Inactive,
-41189161,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,FLEXCYTURSFUNC-UHFFFAOYSA-N,282.089208928,4.009400000000002,0.930105,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,DEHYDROVARIABILIN,Inactive,
-88447197,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,FQQIIPAOSKSOJM-UHFFFAOYSA-N,276.16264864,3.677500000000003,0.930505,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,MEBHYDROLIN,Inactive,
-64340083,CCC1(c2ccccc2)NC(=O)N(C)C1=O,GMHKMTDVRCWUDX-UHFFFAOYSA-N,218.105527688,1.4735000000000003,0.93061,CCC1(c2ccccc2)NC(=O)N(C)C1=O,MEPHENYTOIN,Inactive,
-55122521,Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,ZFSPFXJSEHCTTR-UHFFFAOYSA-N,323.20159226,4.362200000000004,0.93107,Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,PROCYCLIDINE HYDROCHLORIDE,Inactive,
-79904295,O=C(C=Cc1ccc(O)cc1)c1ccccc1,PWWCDTYUYPOAIU-UHFFFAOYSA-N,224.083729624,3.2883000000000013,0.93108,O=C(C=Cc1ccc(O)cc1)c1ccccc1,4-HYDROXYCHALCONE,Inactive,
-95917801,OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)C(O)C(O)C1O,HSTZMXCBWJGKHG-UHFFFAOYSA-N,390.13146766399996,0.44689999999999946,0.931365,OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)C(O)C(O)C1O,PICEID,Inactive,
-62455020,O=C(OCc1ccccc1)c1ccccc1,SESFRYSPDFLNCH-UHFFFAOYSA-N,212.083729624,3.0436000000000014,0.93138,O=C(OCc1ccccc1)c1ccccc1,BENZYL BENZOATE,Inactive,
-32753893,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,AAASNKNLMQBKFV-UHFFFAOYSA-N,358.105252916,3.200000000000001,0.93158,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,"QUERCETIN 5,7,3',4'-TETRAMETHYL ETHER",Inactive,
-69271249,NS(=O)(=O)Cc1noc2ccccc12,UBQNRHZMVUUOMG-UHFFFAOYSA-N,212.025563116,0.6163,0.93168,NS(=O)(=O)Cc1noc2ccccc12,ZONISAMIDE,Inactive,
-88796543,COc1ccc(C(=O)c2ccccc2O)c(O)c1,MEZZCSHVIGVWFI-UHFFFAOYSA-N,244.073558864,2.3374000000000015,0.931725,COc1ccc(C(=O)c2ccccc2O)c(O)c1,DIOXYBENZONE,Inactive,
-41261402,Cl.Cl.Cl.NCCCCNCCCN,LCNBIHVSOPXFMR-UHFFFAOYSA-N,253.08793074399998,0.9291,0.931825,Cl.Cl.Cl.NCCCCNCCCN,SPERMIDINE TRIHYDROCHLORIDE,Inactive,
-59439157,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,KDQAABAKXDWYSZ-UHFFFAOYSA-N,908.3877589800001,3.3381000000000043,0.93188,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,
-11565714,C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)C,QYSXJUFSXHHAJI-UHFFFAOYSA-N,384.339216028,7.619000000000008,0.93197,C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)C,CHOLECALCIFEROL,Inactive,
-55141838,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl,KTMLZVUAXJERAT-UHFFFAOYSA-N,423.2037175,1.1385999999999994,0.93208,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl,URAPIDIL HYDROCHLORIDE,Inactive,
-15539533,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,QJJXYPPXXYFBGM-UHFFFAOYSA-N,803.4819766480001,4.639000000000004,0.93218,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,
-42811515,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-],VPNYRYCIDCJBOM-UHFFFAOYSA-M,397.125255856,-0.5396999999999981,0.93258,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-],GLYCOPYRROLATE,Inactive,
-36828027,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,UREBDLICKHMUKA-UHFFFAOYSA-N,392.19990224799994,1.8957000000000002,0.932595,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,BETAMETHASONE,Inactive,
-67701920,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,ULSUXBXHSYSGDT-UHFFFAOYSA-N,372.12090298,3.503000000000003,0.9327,COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1,TANGERITIN,Inactive,
-81993055,CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,WQLVFSAGQJTQCK-UHFFFAOYSA-N,414.31339520399996,5.713900000000006,0.93303,CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,DIOSGENIN,Inactive,
-73613025,NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O,CQOVPNPJLQNMDC-UHFFFAOYSA-N,226.106590308,-1.1295999999999988,0.933215,NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O,CARNOSINE,Inactive,
-50359846,CC(C)Cc1ccc(C(C)C(=O)O)cc1,HEFNNWSXXWATRW-UHFFFAOYSA-N,206.130679816,3.073200000000001,0.93336,CC(C)Cc1ccc(C(C)C(=O)O)cc1,DEXIBUPROFEN,Inactive,
-34426411,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,UNPLRYRWJLTVAE-UHFFFAOYSA-N,365.13131978,5.353700000000005,0.933365,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,CLOPERASTINE HYDROCHLORIDE,Inactive,
-10710664,CC1CCC(C(C)C)C(O)C1,NOOLISFMXDJSKH-UHFFFAOYSA-N,156.15141526,2.4395000000000007,0.93345,CC1CCC(C(C)C)C(O)C1,LEVOMENTHOL,Inactive,
-91916710,C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1,OPUFDNZTKHPZHM-UHFFFAOYSA-N,216.078644244,3.374100000000002,0.933535,C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1,EUPARIN,Inactive,
-81810894,CCCCCCCCCCCCCCCC(=O)OCC(O)CO,QHZLMUACJMDIAE-UHFFFAOYSA-N,330.27700969599994,4.364100000000005,0.9336,CCCCCCCCCCCCCCCC(=O)OCC(O)CO,1-MONOPALMITIN,Inactive,
-43088854,COc1ccc(C(=O)c2ccccc2)c(O)c1,DXGLGDHPHMLXJC-UHFFFAOYSA-N,228.078644244,2.631800000000001,0.93375,COc1ccc(C(=O)c2ccccc2)c(O)c1,OXYBENZONE,Inactive,
-84360097,C[n+]1cccc(C(=O)[O-])c1,WWNNZCOKKKDOPX-UHFFFAOYSA-N,137.047678464,-1.1254000000000004,0.93377,C[n+]1cccc(C(=O)[O-])c1,TRIGONELLINE,Inactive,
-43704248,O=C([O-])Cc1ccccc1.[Na+],HZOREEUASZHZBI-UHFFFAOYSA-M,158.034373744,-3.0169999999999995,0.933895,O=C([O-])Cc1ccccc1.[Na+],SODIUM PHENYLACETATE,Inactive,
-28391105,CCNC(=O)CCC(N)C(=O)[O-].[K+],DGLVJRIZJHOXLW-UHFFFAOYSA-M,212.056323956,-5.016099999999998,0.93415,CCNC(=O)CCC(N)C(=O)[O-].[K+],THEANINE POTASSIUM,Inactive,
-80804693,CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C,VKHAHZOOUSRJNA-UHFFFAOYSA-N,429.26677936000004,5.406500000000006,0.934205,CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C,MIFEPRISTONE,Inactive,
-11444986,CCCNC1CCc2nc(N)sc2C1.Cl.Cl,QMNWXHSYPXQFSK-UHFFFAOYSA-N,283.067673968,2.4258000000000006,0.934325,CCCNC1CCc2nc(N)sc2C1.Cl.Cl,PRAMIPEXOLE DIHYDROCHLORIDE,Inactive,
-12618018,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.O.[Cl-],WQVSELLRAGBDLX-UHFFFAOYSA-M,337.10156093999996,0.041899999999999715,0.934465,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.O.[Cl-],METHYLENE BLUE,Inactive,
-38316672,Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1,OWULVAZDMWJBLB-UHFFFAOYSA-N,433.17683405599996,4.760100000000003,0.934475,Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1,DIPERODON HYDROCHLORIDE,Inactive,
-91589015,COC(=O)c1c(OC)cc2c(c1C)Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,RPHAAJGBADUATP-UHFFFAOYSA-N,412.0116581479999,4.435940000000003,0.934785,COC(=O)c1c(OC)cc2c(c1C)Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2,GANGALEOIDIN,Inactive,
-44074503,CC(=O)C1CCC2C3CC(C)C4=CC(=O)CCC4(C)C3C(O)CC12C,GZENKSODFLBBHQ-UHFFFAOYSA-N,344.23514488399996,3.9403000000000032,0.934815,CC(=O)C1CCC2C3CC(C)C4=CC(=O)CCC4(C)C3C(O)CC12C,MEDRYSONE,Inactive,
-62388643,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O.O=S(=O)(O)O,OOYGSFOGFJDDHP-UHFFFAOYSA-N,582.2054375159998,-7.944200000000011,0.935235,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,
-58248513,Nc1nc(=O)[nH]cc1F,XRECTZIEBJDKEO-UHFFFAOYSA-N,129.033839968,-0.5088000000000001,0.935495,Nc1nc(=O)[nH]cc1F,FLUCYTOSINE,Inactive,
-24819864,COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2,ASUTZQLVASHGKV-UHFFFAOYSA-N,287.152143532,1.8503,0.935695,COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2,GALANTAMINE,Inactive,
-15327935,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,KMJPKUVSXFVQGZ-UHFFFAOYSA-N,716.137734816,3.194900000000003,0.93618,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,
-30763926,Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2,MYUBYOVCLMEAOH-UHFFFAOYSA-N,240.066555336,1.2498999999999998,0.93645,Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2,IDAZOXAN HYDROCHLORIDE,Inactive,
-10256550,CC(=O)Oc1ccccc1C(=O)Nc1ccccc1,LFQKSSGMPCWSPD-UHFFFAOYSA-N,255.089543276,2.864200000000001,0.93654,CC(=O)Oc1ccccc1C(=O)Nc1ccccc1,ACETYLSALICYLANILIDE,Inactive,
-48141613,C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,ZYHMJXZULPZUED-UHFFFAOYSA-N,350.155180312,3.9192000000000027,0.936735,C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,PROPARGITE,Inactive,
-21600929,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,BCFGMOOMADDAQU-UHFFFAOYSA-N,580.1347322120001,6.139100000000005,0.93696,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,LAPATINIB,Inactive,
-50339609,CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,HUCXKZBETONXFO-UHFFFAOYSA-N,330.292265836,7.501300000000008,0.93704,CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,TEPRENONE,Inactive,
-54924928,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,REFJWTPEDVJJIY-UHFFFAOYSA-N,302.04265266,1.988,0.93724,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,QUERCETIN,Inactive,
-13520449,CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O,XJHDMGJURBVLLE-UHFFFAOYSA-N,246.125594436,2.419600000000001,0.93728,CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O,SANTONIN,Inactive,
-75376110,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,XLFWDASMENKTKL-UHFFFAOYSA-N,242.101504928,0.09200000000000008,0.937585,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,MOLSIDOMINE,Inactive,
-32291493,Cl.Cl.N=C(N)N,CALVPZNSFFEPJG-UHFFFAOYSA-N,131.001702584,-0.31783,0.937835,Cl.Cl.N=C(N)N,GUANIDINE HYDROCHLORIDE,Inactive,
-88432477,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,QYSPLQLAKJAUJT-UHFFFAOYSA-N,331.06267689599997,1.5809999999999997,0.937985,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,PIROXICAM,Inactive,
-11202580,O=c1oc2cc(O)ccc2s1,SLYPOVJCSQHITR-UHFFFAOYSA-N,167.988114988,1.5601,0.93819,O=c1oc2cc(O)ccc2s1,TIOXOLONE,Inactive,
-11475855,CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.O=C(O)C(=O)O,SSAJNPNVUYMUCI-UHFFFAOYSA-N,473.2413524599999,3.608200000000001,0.9382,CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.O=C(O)C(=O)O,NAFRONYL OXALATE,Inactive,
-67677248,O=C(OOC(=O)c1ccccc1)c1ccccc1,OMPJBNCRMGITSC-UHFFFAOYSA-N,242.0579088,2.615400000000001,0.93822,O=C(OOC(=O)c1ccccc1)c1ccccc1,BENZOYL PEROXIDE,Inactive,
-74420886,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,NSOXQYCFHDMMGV-UHFFFAOYSA-N,292.236207504,-0.8863999999999979,0.93835,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,EDITOL,Inactive,
-10428746,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,YVUQSNJEYSNKRX-UHFFFAOYSA-N,461.227868988,5.8570000000000055,0.9386,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,PIMOZIDE,Inactive,
-61468552,O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,DOBMPNYZJYQDGZ-UHFFFAOYSA-N,336.06338810399996,2.9014000000000006,0.93918,O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,DICUMAROL,Inactive,
-10178579,COc1ccccc1OCC(O)COC(N)=O,GNXFOGHNGIVQEH-UHFFFAOYSA-N,241.09502258,0.5302000000000002,0.93923,COc1ccccc1OCC(O)COC(N)=O,METHOCARBAMOL,Inactive,
-33247807,Cc1c[nH]c2ccccc12,ZFRKQXVRDFCRJG-UHFFFAOYSA-N,131.073499288,2.4763200000000003,0.939315,Cc1c[nH]c2ccccc12,SKATOLE,Inactive,
-10128636,Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1,RXKMOPXNWTYEHI-UHFFFAOYSA-N,476.159760696,6.228800000000008,0.93939,Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1,FLUNARIZINE HYDROCHLORIDE,Inactive,
-10280207,O=C1c2ccccc2C(=O)C1c1ccccc1,NFBAXHOPROOJAW-UHFFFAOYSA-N,222.06807956,2.849400000000001,0.9396,O=C1c2ccccc2C(=O)C1c1ccccc1,PHENINDIONE,Inactive,
-92593358,COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,SEBFKMXJBCUCAI-UHFFFAOYSA-N,482.1212969039999,2.3627,0.9397,COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,SILIBININ,Inactive,
-62446897,COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3,WVTKBKWTSCPRNU-UHFFFAOYSA-N,622.3042870639999,7.162400000000009,0.939705,COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3,TETRANDRINE,Inactive,
-16788198,O=C(O)C1CSCN1,DZLNHFMRPBPULJ-UHFFFAOYSA-N,133.019749464,-0.2664999999999999,0.940135,O=C(O)C1CSCN1,TIMONACIC,Inactive,
-95129735,CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl,FIVHOHCAXWQPGC-UHFFFAOYSA-N,293.058548764,2.2454000000000005,0.94033,CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl,MECLOFENOXATE HYDROCHLORIDE,Inactive,
-59823459,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,ACTIUHUUMQJHFO-UHFFFAOYSA-N,862.68391136,17.853899999999975,0.94053,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,
-19681230,COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13,YSEXMKHXIOCEJA-UHFFFAOYSA-N,483.115753792,3.9109000000000034,0.940535,COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13,NICERGOLINE,Inactive,
-18367436,COc1cc(OC)c(C(C)=O)c(O)c1C,AAOFJKLTRKOQTQ-UHFFFAOYSA-N,210.089208928,1.9204199999999998,0.94056,COc1cc(OC)c(C(C)=O)c(O)c1C,METHYLXANTHOXYLIN,Inactive,
-10034291,Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,ULFCBIUXQQYDEI-UHFFFAOYSA-N,293.07784829199994,-1.3344000000000007,0.940835,Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,BENSERAZIDE HYDROCHLORIDE,Inactive,
-47224380,CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+],VBDRTGFACFYFCT-UHFFFAOYSA-M,359.0874842679999,-3.9526999999999965,0.941185,CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+],IBANDRONATE SODIUM,Inactive,
-45086186,COc1cc(OC)c2c(OC)c(-c3ccc4c(c3)OCO4)c(=O)oc2c1,PZYZNVLXKYMURF-UHFFFAOYSA-N,356.0896028519999,3.214500000000002,0.941255,COc1cc(OC)c2c(OC)c(-c3ccc4c(c3)OCO4)c(=O)oc2c1,DERRUSNIN,Inactive,
-89713857,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,WTGQALLALWYDJH-UHFFFAOYSA-N,383.07322028399994,1.496,0.94145,Br.CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,SCOPOLAMINE HYDROBROMIDE,Inactive,
-21329541,O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,FXNFHKRTJBSTCS-UHFFFAOYSA-N,270.05282342000004,2.576800000000001,0.94167,O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,BAICALEIN,Inactive,
-10373472,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,FTNJWQUOZFUQQJ-UHFFFAOYSA-N,720.262935328,-0.2030999999999955,0.94184,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,
-63885363,CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,XGMPVBXKDAHORN-UHFFFAOYSA-N,478.200296172,1.7620999999999991,0.941975,CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,TRIAMCINOLONE DIACETATE,Inactive,
-24150997,CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,SNHRLVCMMWUAJD-UHFFFAOYSA-N,476.25741712399997,3.6368000000000027,0.942055,CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,BETAMETHASONE VALERATE,Inactive,
-64355395,CC(C)C(N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Cl,ZCDDBUOENGJMLV-UHFFFAOYSA-N,360.1312808320001,-0.3757999999999982,0.942075,CC(C)C(N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Cl,VALACYCLOVIR HYDROCHLORIDE,Inactive,
-80945726,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,GNUCGROXDZMCJI-UHFFFAOYSA-N,370.132716748,3.0397200000000018,0.94211,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,MINAPRINE HYDROCHLORIDE,Inactive,
-94957125,NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1,RKPHTRVPGYGVQD-UHFFFAOYSA-N,290.101504928,0.3576999999999991,0.94277,NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1,PASINIAZID,Inactive,
-53661597,Nc1nc2ccc(OC(F)(F)F)cc2s1,FTALBRSUTCGOEG-UHFFFAOYSA-N,234.00746844,2.7771,0.94315,Nc1nc2ccc(OC(F)(F)F)cc2s1,RILUZOLE,Inactive,
-62063949,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1.O,FPJYMUQSRFJSEW-UHFFFAOYSA-N,472.1818804879999,-0.5562999999999987,0.94322,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1.O,METHOTREXATE HYDRATE,Inactive,
-31241979,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1,LXEVSYZNYDZSOB-UHFFFAOYSA-N,358.105252916,3.200000000000002,0.943275,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1,GARDENIN B,Inactive,
-79700995,COC1C(O)C(C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O,MABTYQWWFMMYTE-UHFFFAOYSA-N,550.3141830519999,2.225099999999999,0.943355,COC1C(O)C(C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O,EMICYMARIN,Inactive,
-57585805,CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl,FHIKZROVIDCMJA-UHFFFAOYSA-N,389.212156944,5.079600000000006,0.943395,CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl,PROADIFEN HYDROCHLORIDE,Inactive,
-10935461,COc1ccc(C(=O)CCC(=O)O)c2ccccc12,FHGJSJFIQNQBCK-UHFFFAOYSA-N,258.089208928,2.895900000000001,0.94357,COc1ccc(C(=O)CCC(=O)O)c2ccccc12,MENBUTONE,Inactive,
-74879260,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,DGMKFQYCZXERLX-UHFFFAOYSA-N,334.189257312,2.2984,0.944435,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,PROGLUMIDE,Inactive,
-13787737,COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,BUYMVQAILCEWRR-UHFFFAOYSA-N,377.782574894,3.651200000000001,0.944515,COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,NALED,Inactive,
-50555706,CCCCCCOc1ccccc1C(N)=O,CKSJXOVLXUMMFF-UHFFFAOYSA-N,221.141578848,2.7446,0.944595,CCCCCCOc1ccccc1C(N)=O,EXALAMIDE,Inactive,
-97987404,CC(C(O)c1ccccc1)N(C)C,FMCGSUUBYTWNDP-UHFFFAOYSA-N,179.131014164,1.6701,0.94476,CC(C(O)c1ccccc1)N(C)C,"N-METHYL (-)EPHEDRINE [1R,2S]",Inactive,
-11636623,O=C(O)c1cc(O)c2cccc(O)c2n1,FBZONXHGGPHHIY-UHFFFAOYSA-N,205.037507704,1.3441999999999998,0.94498,O=C(O)c1cc(O)c2cccc(O)c2n1,XANTHURENIC ACID,Inactive,
-89935338,O=c1cc(-c2ccccc2)oc2cc(O)ccc12,MQGPSCMMNJKMHQ-UHFFFAOYSA-N,238.06299418,3.1656000000000013,0.945025,O=c1cc(-c2ccccc2)oc2cc(O)ccc12,7-HYDROXYFLAVONE,Inactive,
-15502633,CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,MBWXNTAXLNYFJB-UHFFFAOYSA-N,450.349780712,9.1576,0.945125,CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,PHYTONADIONE [5mM],Inactive,
-15021852,Nc1nc2nc[nH]c2c(=S)[nH]1,WYWHKKSPHMUBEB-UHFFFAOYSA-N,167.02656616,0.59769,0.945165,Nc1nc2nc[nH]c2c(=S)[nH]1,THIOGUANINE,Inactive,
-58288342,O=C(C=Cc1ccccc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O,SYDNPHFWTKACIZ-UHFFFAOYSA-N,402.1314676639999,0.46699999999999925,0.945235,O=C(C=Cc1ccccc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O,"2',4'-DIHYDROXYCHALCONE 4'-GLUCOSIDE",Inactive,
-11273098,Oc1ccc(OCc2ccccc2)cc1,VYQNWZOUAUKGHI-UHFFFAOYSA-N,200.083729624,2.9712000000000014,0.94558,Oc1ccc(OCc2ccccc2)cc1,MONOBENZONE,Inactive,
-10171962,CC1(C)CC2C(=O)CCC3OC3(C)CCC21,UETZJEZFLKASPR-UHFFFAOYSA-N,222.161979944,2.949300000000002,0.94569,CC1(C)CC2C(=O)CCC3OC3(C)CCC21,KOBUSONE,Inactive,
-25058997,O=C(O)c1ccccc1,WPYMKLBDIGXBTP-UHFFFAOYSA-N,122.036779432,1.3848,0.946375,O=C(O)c1ccccc1,BENZOIC ACID,Inactive,
-99797482,CC(=O)c1cc2c(cc1O)OC(C)(C)C=C2,SVUVYHFYZBCYRF-UHFFFAOYSA-N,218.094294308,2.7790000000000017,0.94648,CC(=O)c1cc2c(cc1O)OC(C)(C)C=C2,EUPATORIOCHROMENE,Inactive,
-14241478,CCC(C(C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O,RAGOYPUPXAKGKH-UHFFFAOYSA-N,700.329708264,4.573200000000004,0.9466,CCC(C(C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O,POSACONAZOLE,Inactive,
-86371149,NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1,JJCQSGDBDPYCEO-UHFFFAOYSA-N,451.2642131439999,-5.266599999999998,0.94674,NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1,DIBEKACIN,Inactive,
-91962668,CC(C)C12OC1C1OC13C1(C)CCC4=C(COC4=O)C1CC1OC13C2O,DFBIRQPKNDILPW-UHFFFAOYSA-N,360.15728848799995,1.1030999999999997,0.94692,CC(C)C12OC1C1OC13C1(C)CCC4=C(COC4=O)C1CC1OC13C2O,TRIPTOLIDE,Inactive,
-12289491,C=CCNC(N)=S,HTKFORQRBXIQHD-UHFFFAOYSA-N,116.04081925599999,0.005600000000000216,0.94697,C=CCNC(N)=S,ALLYLTHIOUREA,Inactive,
-57059289,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O,IEVVSJFLBYOUCJ-UHFFFAOYSA-N,372.04813196399994,2.013340000000001,0.9478,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O,NORSTICTIC ACID,Inactive,
-61753075,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,IDDIJAWJANBQLJ-UHFFFAOYSA-N,656.3414774840002,0.42610000000000686,0.94781,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,DEFEROXAMINE MESYLATE,Inactive,
-33746046,Nc1ccn(C2CSC(CO)O2)c(=O)n1,JTEGQNOMFQHVDC-UHFFFAOYSA-N,229.052112212,-0.5941000000000001,0.947825,Nc1ccn(C2CSC(CO)O2)c(=O)n1,LAMIVUDINE,Inactive,
-79764696,CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,YBGZDTIWKVFICR-UHFFFAOYSA-N,290.18819469199997,4.468000000000004,0.94793,CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,OCTINOXATE,Inactive,
-49143709,CC(C)C(N)C(=O)O,KZSNJWFQEVHDMF-UHFFFAOYSA-N,117.078978592,0.05430000000000007,0.94825,CC(C)C(N)C(=O)O,VALINE (L),Inactive,
-42745611,CC(C)(C)N.CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)OCC,IYNMDWMQHSMDDE-UHFFFAOYSA-N,441.32027147599996,2.6842000000000015,0.948285,CC(C)(C)N.CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)OCC,PERINDOPRIL ERBUMINE,Inactive,
-51632464,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,AFSHKCWTGFDXJR-UHFFFAOYSA-N,886.5078570480001,6.031500000000008,0.94853,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,
-69191848,CC=C1C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2,ZRJBHWIHUMBLCN-UHFFFAOYSA-N,242.141913196,1.9975,0.948555,CC=C1C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2,HUPERZINE A,Inactive,
-72565892,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,DDXORDQKGIZAME-UHFFFAOYSA-N,443.0206390319999,5.453700000000003,0.94903,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,ECONAZOLE NITRATE,Inactive,
-96375306,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.O=C(O)C(O)C(O)C(O)C(O)CO,XHKUDCCTVQUHJQ-UHFFFAOYSA-N,520.2420807319999,-0.31989999999999963,0.94905,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.O=C(O)C(O)C(O)C(O)C(O)CO,QUINIDINE GLUCONATE,Inactive,
-85687243,CNC1CC(N)C(O)C(OC2OC(CO)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC3C2O)C1O,ONCSSPOCYKWCTO-UHFFFAOYSA-N,527.2326382439999,-7.2705999999999955,0.94917,CNC1CC(N)C(O)C(OC2OC(CO)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC3C2O)C1O,HYGROMYCIN B,Inactive,
-33330871,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,KCXVZYZYPLLWCC-UHFFFAOYSA-N,292.09066547199996,-2.0711999999999957,0.94918,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,ETHYLENEDIAMINE TETRACETIC ACID,Inactive,
-31397005,COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1.O=C(O)C=CC(=O)O,LFMYNZPAVPMEGP-UHFFFAOYSA-N,434.1664711799999,2.9133000000000004,0.94925,COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1.O=C(O)C=CC(=O)O,FLUVOXAMINE MALEATE,Inactive,
-47671920,S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1,QFVAWNPSRQWSDU-UHFFFAOYSA-N,314.091140576,3.9375000000000027,0.94987,S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1,SULBENTINE,Inactive,
-69978548,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl,PLGQWYOULXPJRE-UHFFFAOYSA-N,465.22820093199994,5.0243000000000055,0.9499,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl,MEBEVERINE HYDROCHLORIDE,Inactive,
-79633044,CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,PDMMFKSKQVNJMI-UHFFFAOYSA-N,344.23514488399996,4.840100000000005,0.94992,CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,TESTOSTERONE PROPIONATE,Inactive,
-11242013,CCOC(=O)C1=CC(OC(CC)CC)C(NC(C)=O)C(N)C1.O=P(O)(O)O,PGZUMBJQJWIWGJ-UHFFFAOYSA-N,410.18180258199993,0.3568000000000003,0.949955,CCOC(=O)C1=CC(OC(CC)CC)C(NC(C)=O)C(N)C1.O=P(O)(O)O,OSELTAMIVIR PHOSPHATE,Inactive,
-88420793,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,SHGAZHPCJJPHSC-UHFFFAOYSA-N,300.208930136,5.602600000000005,0.950155,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,ISOTRETINON,Inactive,
-63994574,CC(=O)Nc1ccccc1,FZERHIULMFGESH-UHFFFAOYSA-N,135.068413908,1.6449999999999998,0.95042,CC(=O)Nc1ccccc1,ACETANILIDE,Inactive,
-42268554,CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl,IPWGSXZCDPTDEH-UHFFFAOYSA-N,315.160121372,3.4059200000000023,0.95057,CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl,MOXISYLYTE HYDROCHLORIDE,Inactive,
-38774565,COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1,OMZRMXULWNMRAE-UHFFFAOYSA-N,322.08412354800004,3.096800000000001,0.95063,COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1,VULPINIC ACID,Inactive,
-65401222,C[N+]1([O-])C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,HGWPFSBHDACWNL-UHFFFAOYSA-N,305.162708216,1.9434999999999996,0.950665,C[N+]1([O-])C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,ATROPINE OXIDE,Inactive,
-74439534,COC(=O)C1(C)CCCC2(C)c3ccc(O)c(C(C)C)c3CCC12,VEJJMTHWRMKGKN-UHFFFAOYSA-N,330.21949481999997,4.6989000000000045,0.95083,COC(=O)C1(C)CCCC2(C)c3ccc(O)c(C(C)C)c3CCC12,"TOTAROL-19-CARBOXYLIC ACID, METHYL ESTER",Inactive,
-11335144,CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12,ULSDMUVEXKOYBU-UHFFFAOYSA-N,287.163376912,1.9229,0.95115,CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12,ZOLMITRIPTAN,Inactive,
-97926329,CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,KYHQZNGJUGFTGR-UHFFFAOYSA-N,238.106590308,-1.1855,0.951165,CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,PROXYPHYLLINE,Inactive,
-75610227,C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12,KMPWYEUPVWOPIM-UHFFFAOYSA-N,294.17321332399996,3.164600000000002,0.951225,C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12,CINCHONIDINE,Inactive,
-83862514,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],SBXXSUDPJJJJLC-UHFFFAOYSA-M,672.771996112,-0.3780000000000001,0.95125,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],LIOTHYRONINE (L- isomer) SODIUM,Inactive,
-39808553,S=P(N1CC1)(N1CC1)N1CC1,FOCVUCIESVLUNU-UHFFFAOYSA-N,189.04895501399997,0.15770000000000017,0.95132,S=P(N1CC1)(N1CC1)N1CC1,THIOTEPA,Inactive,
-33778997,O=C1C(O)=C(O)C(=O)C(O)=C1O,DGQOCLATAPFASR-UHFFFAOYSA-N,172.00078784800002,-0.20659999999999995,0.95137,O=C1C(O)=C(O)C(=O)C(O)=C1O,TETROQUINONE,Inactive,
-89646680,Cl.Clc1ccc2nsnc2c1NC1=NCCN1,ZWUKMNZJRDGCTQ-UHFFFAOYSA-N,288.99557164800007,2.1376,0.951675,Cl.Clc1ccc2nsnc2c1NC1=NCCN1,TIZANIDINE HYDROCHLORIDE,Inactive,
-11198291,O=C1CCO1,VEZXCJBBBCKRPI-UHFFFAOYSA-N,72.021129368,-0.06669999999999998,0.951995,O=C1CCO1,PROPIOLACTONE,Inactive,
-36658236,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(=O)[O-].[K+],JTZQCHFUGHIPDF-UHFFFAOYSA-M,396.17029108799994,-0.44049999999999767,0.952495,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(=O)[O-].[K+],"CANRENOIC ACID, POTASSIUM SALT",Inactive,
-94789836,O=C(O)C=Cc1ccc(Cn2ccnc2)cc1,SHZKQBHERIJWAO-UHFFFAOYSA-N,228.089877624,2.0292,0.95254,O=C(O)C=Cc1ccc(Cn2ccnc2)cc1,OZAGREL HYDROCHLORIDE,Inactive,
-70005085,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,OCAPBUJLXMYKEJ-UHFFFAOYSA-N,310.146998576,5.187800000000005,0.952555,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,BIFONAZOLE,Inactive,
-11172281,COc1cc(C(C)=O)cc(OC)c1O,OJOBTAOGJIWAGB-UHFFFAOYSA-N,196.073558864,1.6119999999999999,0.95268,COc1cc(C(C)=O)cc(OC)c1O,ACETOSYRINGONE,Inactive,
-44220836,CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1,NFDFQCUYFHCNBW-UHFFFAOYSA-N,266.130679816,4.604600000000004,0.95287,CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1,DIENESTROL,Inactive,
-63186816,C=C(C)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C,PIMZUZSSNYHVCU-UHFFFAOYSA-N,292.094688232,-0.0620000000000005,0.95289,C=C(C)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C,PICROTOXININ,Inactive,
-30205493,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,AWMFUEJKWXESNL-UHFFFAOYSA-N,1055.6426362640002,6.47320000000001,0.952925,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,
-56960973,COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,VLYWMPOKSSWJAL-UHFFFAOYSA-N,280.063011244,0.8681999999999999,0.953145,COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,SULFAMETHOXYPYRIDAZINE,Inactive,
-76522980,C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C,XVULBTBTFGYVRC-UHFFFAOYSA-N,308.271530392,4.697200000000005,0.9532,C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C,SCLAREOL,Inactive,
-69974400,NC(=O)CCC(N)C(=O)O,ZDXPYRJPNDTMRX-UHFFFAOYSA-N,146.06914218,-1.3361999999999998,0.953325,NC(=O)CCC(N)C(=O)O,GLUTAMINE (D),Inactive,
-74758123,CC(C)Nc1ncccn1,FTCYIGBVOHNHCD-UHFFFAOYSA-N,137.095297352,1.2969,0.953395,CC(C)Nc1ncccn1,ISAXONINE,Inactive,
-96145938,CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O,RAEOYMOPVHBBKE-UHFFFAOYSA-N,319.132076784,3.048300000000001,0.95351,CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O,RHETSININE,Inactive,
-21825765,CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC,CFRPSFYHXJZSBI-UHFFFAOYSA-N,270.0883534,1.8518999999999999,0.953595,CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC,NITENPYRAM,Inactive,
-70118206,C=CCCCCCCCCC(=O)O,FRPZMMHWLSIFAZ-UHFFFAOYSA-N,184.14632988,3.3778000000000015,0.953645,C=CCCCCCCCCC(=O)O,UNDECYLENIC ACID,Inactive,
-68924188,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,FSQKKOOTNAMONP-UHFFFAOYSA-N,415.082264976,3.4705200000000014,0.953855,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,ACEMETACIN,Inactive,
-27202176,CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,XMAYWYJOQHXEEK-UHFFFAOYSA-N,530.148760736,4.205800000000003,0.954095,CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,KETOCONAZOLE,Inactive,
-10568621,CCOC(=O)c1ccc(O)cc1,NUVBSKCKDOMJSU-UHFFFAOYSA-N,166.06299418,1.5689,0.95418,CCOC(=O)c1ccc(O)cc1,ETHYL PARABEN,Inactive,
-37041870,O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12,COCYGNDCWFKTMF-UHFFFAOYSA-N,254.0579088,2.871200000000001,0.954315,O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12,"7,8-DIHYDROXYFLAVONE",Inactive,
-38956672,Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.[Na+],OGPIIGMUPMPMNT-UHFFFAOYSA-M,316.9986282,0.4129200000000009,0.954475,Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.[Na+],MECLOFENAMATE SODIUM,Inactive,
-68777855,CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl,PRGUDWLMFLCODA-UHFFFAOYSA-N,344.18667046800005,3.3681000000000014,0.9547,CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl,BENOXINATE HYDROCHLORIDE,Inactive,
-11166599,CCN(CC)C(=O)c1cccnc1,NCYVXEGFNDZQCU-UHFFFAOYSA-N,178.110613068,1.5636,0.95479,CCN(CC)C(=O)c1cccnc1,NIKETHAMIDE,Inactive,
-10102264,CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,BXNANOICGRISHX-UHFFFAOYSA-N,362.0144589219999,4.431120000000004,0.95502,CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,COUMOPHOS,Inactive,
-26885593,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,WAZQAZKAZLXFMK-UHFFFAOYSA-N,397.07079696799997,3.2720000000000002,0.955055,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,DERACOXIB,Inactive,
-11186448,CC(=O)C12OC1(C)CC1C3CC=C4CC(O)CCC4(C)C3CCC12C,LMVLICSGVDWDSM-UHFFFAOYSA-N,344.23514488399996,4.036700000000003,0.955095,CC(=O)C12OC1(C)CC1C3CC=C4CC(O)CCC4(C)C3CCC12C,16beta-METHYL-16(17)-EPOXY-5-PREGNENOLONE,Inactive,
-59492028,Nc1ccc([As](=O)(O)O)cc1,XKNKHVGWJDPIRJ-UHFFFAOYSA-N,216.972014616,-1.1702000000000004,0.95515,Nc1ccc([As](=O)(O)O)cc1,ARSANILIC ACID,Inactive,
-85283355,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,VHOGYURTWQBHIL-UHFFFAOYSA-N,270.061612188,3.2541200000000012,0.95521,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,LEFLUNOMIDE,Inactive,
-11364773,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F,VSQQQLOSPVPRAZ-UHFFFAOYSA-N,296.062006112,-0.8039000000000001,0.95583,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F,TRIFLURIDINE,Inactive,
-10015265,CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3cccnc3)=CCC12,GZOSMCIZMLWJML-UHFFFAOYSA-N,349.240564612,5.398600000000005,0.95594,CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3cccnc3)=CCC12,ABIRATERONE,Inactive,
-40474416,NC(=O)CC(N)C(=O)O.O,RBMGJIZCEWRQES-UHFFFAOYSA-N,150.0640568,-2.551,0.956405,NC(=O)CC(N)C(=O)O.O,ASPARAGINE (L) HYDRATE,Inactive,
-31549766,CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,KWVISVAMQJWJSZ-UHFFFAOYSA-N,413.32937961600004,5.2869000000000055,0.957265,CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,SOLASODINE,Inactive,
-43416482,CC(N)C(O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O,VENXSELNXQXCNT-UHFFFAOYSA-N,317.111066568,-1.3497999999999999,0.957275,CC(N)C(O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O,METARAMINOL BITARTRATE,Inactive,
-26112965,CC(=O)Oc1cccc(C)c1,OTGAHJPFNKQGAE-UHFFFAOYSA-N,150.06807956,1.92032,0.95751,CC(=O)Oc1cccc(C)c1,meta-CRESYL ACETATE,Inactive,
-42402139,CC(C)=CCc1c(O)cc2oc(C)cc(=O)c2c1O,DTNGBIGBPPPNNB-UHFFFAOYSA-N,260.104858992,3.0213200000000016,0.957525,CC(C)=CCc1c(O)cc2oc(C)cc(=O)c2c1O,PEUCENIN,Inactive,
-87741486,CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,CVKUMNRCIJMVAR-UHFFFAOYSA-N,401.06998603999995,2.2384000000000013,0.95754,CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,FENOLDOPAM MESYLATE,Inactive,
-87836264,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(CO)c2O)c(C)c1O,WHDBRSOTWRZEGF-UHFFFAOYSA-N,376.11581759999996,2.226760000000001,0.957625,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(CO)c2O)c(C)c1O,DIHYDROATRANORIN,Inactive,
-47730452,OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,ILRCGYURZSFMEG-UHFFFAOYSA-N,300.12090298,-1.2488000000000008,0.95771,OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,SALIDROSIDE,Inactive,
-71353774,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,XRCFXMGQEVUZFC-UHFFFAOYSA-N,252.078644244,2.8580000000000005,0.95817,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,ANISINDIONE,Inactive,
-94002719,O=C1CCC(C(=O)O)N1,ODHCTXKNWHHXJC-UHFFFAOYSA-N,129.042593084,-0.6504000000000001,0.95818,O=C1CCC(C(=O)O)N1,PIDOLIC ACID,Inactive,
-25554447,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,IKFXPERBVFYFMS-UHFFFAOYSA-N,542.251582796,4.326300000000004,0.958465,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,
-18029783,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl,UOTMYNBWXDUBNX-UHFFFAOYSA-N,375.12373586399997,4.281800000000005,0.958605,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl,PAPAVERINE HYDROCHLORIDE,Inactive,
-11244302,CC1(O)CCC(C(C)(C)O)CC1.O,JGKJMBOJWVAMIJ-UHFFFAOYSA-N,190.156894564,0.8737999999999999,0.958775,CC1(O)CCC(C(C)(C)O)CC1.O,TERPENE HYDRATE,Inactive,
-10196103,COC(=O)CCc1ccc(OC)cc1O,QPFCWJXXUBGYFW-UHFFFAOYSA-N,210.089208928,1.5063999999999997,0.95897,COC(=O)CCc1ccc(OC)cc1O,METHYL-2-HYDROXY-PHENYLPROPRIONATE,Inactive,
-28001968,O=C(O)c1cc(O)ccc1O,WXTMDXOMEHJXQO-UHFFFAOYSA-N,154.026608672,0.7959999999999998,0.958985,O=C(O)c1cc(O)ccc1O,GENTISIC ACID,Inactive,
-97009448,CC(=O)Oc1c(C)cccc1C(=O)O,XRBMKGUDDJPAMH-UHFFFAOYSA-N,194.0579088,1.6185200000000002,0.959825,CC(=O)Oc1c(C)cccc1C(=O)O,CRESOPIRINE,Inactive,
-80453501,COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,JGUZGNYPMHHYRK-UHFFFAOYSA-N,316.058302724,2.2910000000000013,0.9599,COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,RHAMNETIN,Inactive,
-85902732,Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,FIKFLLIUPUVONI-UHFFFAOYSA-N,296.129155592,2.2253,0.96011,Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,FENSPIRIDE HYDROCHLORIDE,Inactive,
-11131079,CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC2C1OC(=O)CCC.[Na+],KRBZRVBLIUDQNG-UHFFFAOYSA-M,491.1181936059999,-1.9379999999999964,0.960325,CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC2C1OC(=O)CCC.[Na+],BUCLADESINE SODIUM,Inactive,
-10743510,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],VNYBTNPBYXSMOO-UHFFFAOYSA-M,260.016039756,-2.4244999999999974,0.96035,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],PYRIDOSTIGMINE BROMIDE,Inactive,
-83841581,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(O)C1CC,YGHXGBVMWGXADG-UHFFFAOYSA-N,334.105252916,0.8093999999999995,0.96038,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(O)C1CC,GLAUCONIC ACID,Inactive,
-29557267,CC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O,PTWSIIUEOFZCHW-UHFFFAOYSA-N,308.177630008,5.464900000000005,0.960465,CC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O,MENAQUINONE-4,Inactive,
-45127506,CN1CCC2(C)c3cc(O)ccc3N(C)C12.O=C(O)C=CC(=O)O,PBZRRADJWNBPNY-UHFFFAOYSA-N,334.152871804,1.4730999999999999,0.96083,CN1CCC2(C)c3cc(O)ccc3N(C)C12.O=C(O)C=CC(=O)O,ESEROLINE FUMARATE,Inactive,
-73776199,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,VWQWXZAWFPZJDA-UHFFFAOYSA-N,462.22536804799984,2.1973,0.96093,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,HYDROCORTISONE HEMISUCCINATE,Inactive,
-28812618,C#CC1(OC(C)=O)CCC2C3CCC4=CC(OC(C)=O)CCC4C3CCC21C,ONKUMRGIYFNPJW-UHFFFAOYSA-N,384.230059504,4.425900000000004,0.96166,C#CC1(OC(C)=O)CCC2C3CCC4=CC(OC(C)=O)CCC4C3CCC21C,ETHYNODIOL DIACETATE,Inactive,
-48474999,COc1ccc(-c2coc3cc(O)cc(OC)c3c2=O)cc1,JQQULYXWXRNRAX-UHFFFAOYSA-N,298.084123548,3.182800000000002,0.96168,COc1ccc(-c2coc3cc(O)cc(OC)c3c2=O)cc1,"5,4'-DIMETHOXY-7-HYDROXYISOFLAVONE",Inactive,
-11221809,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,GFERNZCCTZEIET-UHFFFAOYSA-N,392.1259883599999,4.249200000000004,0.962195,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,DEHYDROROTENONE,Inactive,
-10144502,COc1cc2c(cc1OC)-c1c(oc3cc4c(cc3c1=O)CCO4)CO2,LZUNYTZRKSOHRX-UHFFFAOYSA-N,352.09468823199995,3.3045000000000018,0.962525,COc1cc2c(cc1OC)-c1c(oc3cc4c(cc3c1=O)CCO4)CO2,DIHYDRODEHYDROEROSONE,Inactive,
-56975729,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2ccccc2CC1C(=O)O,JSDRRTOADPPCHY-UHFFFAOYSA-N,438.21547205999997,2.5671,0.96255,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2ccccc2CC1C(=O)O,QUINAPRIL,Inactive,
-62520897,CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl,GIYXAJPCNFJEHY-UHFFFAOYSA-N,345.110726568,4.856800000000004,0.96263,CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl,FLUOXETINE HYDROCHLORIDE,Inactive,
-81226581,Cn1cc[nH]c1=S,PMRYVIKBURPHAH-UHFFFAOYSA-N,114.02516919199999,1.08269,0.962755,Cn1cc[nH]c1=S,METHIMAZOLE,Inactive,
-11738203,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,DEIYFTQMQPDXOT-UHFFFAOYSA-N,666.2319270360001,0.36240000000000505,0.962795,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,
-20159337,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,HZLCGUXUOFWCCN-UHFFFAOYSA-N,416.27740361999986,4.849000000000004,0.962925,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,AGARIC ACID,Inactive,
-41419769,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,JLRGJRBPOGGCBT-UHFFFAOYSA-N,270.103813436,1.78302,0.963005,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,TOLBUTAMIDE,Inactive,
-39063561,Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,VNGRUFUIHGGOOM-UHFFFAOYSA-N,378.0765318360001,4.442140000000004,0.96302,Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,VORTIOXETINE HYDROBROMIDE,Inactive,
-62912568,O=C(O)C=CC=Cc1ccc2c(c1)OCO2,RHBGITBPARBDPH-UHFFFAOYSA-N,218.0579088,2.0693,0.963055,O=C(O)C=CC=Cc1ccc2c(c1)OCO2,PIPERIC ACID,Inactive,
-72509779,C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1C(=O)OCC1O,BOJKULTULYSRAS-UHFFFAOYSA-N,350.2093240599999,1.9625999999999997,0.96324,C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1C(=O)OCC1O,ANDROGRAPHOLIDE,Inactive,
-34214709,Cl.N=C(N)NC(=N)N1CCOCC1,FXYZDFSNBBOHTA-UHFFFAOYSA-N,207.08868774799998,-0.8417600000000003,0.96344,Cl.N=C(N)NC(=N)N1CCOCC1,MOROXYDINE HYDROCHLORIDE,Inactive,
-27804427,CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,SGXXNSQHWDMGGP-UHFFFAOYSA-N,331.1136669120001,1.3224999999999998,0.96378,CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,NIZATIDINE,Inactive,
-92939362,CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cl,SXXHVPYRDFJKPG-UHFFFAOYSA-N,451.321707392,5.788600000000008,0.96381,CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cl,TOMATIDINE HYDROCHLORIDE,Inactive,
-52966225,COC(=O)c1c(C)cc(O)cc1O,NCCWCZLEACWJIN-UHFFFAOYSA-N,182.0579088,1.1928199999999995,0.963815,COC(=O)c1c(C)cc(O)cc1O,METHYL ORSELLINATE,Inactive,
-11271278,NC(N)=O,XSQUKJJJFZCRTK-UHFFFAOYSA-N,60.032362748,-0.9762000000000002,0.963835,NC(N)=O,UREA,Inactive,
-10185945,COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,LZJRNLRASBVRRX-UHFFFAOYSA-N,327.14705815200006,2.8671000000000015,0.96387,COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,BOLDINE,Inactive,
-50617881,CC(=O)OC1CC2C(C)(C)C(O)CCC2(C)C2CCC3(C)C(=CC(=O)OC3c3ccoc3)C12C,FJIIOEQLAAKWEL-UHFFFAOYSA-N,470.2668389359999,5.365300000000006,0.96447,CC(=O)OC1CC2C(C)(C)C(O)CCC2(C)C2CCC3(C)C(=CC(=O)OC3c3ccoc3)C12C,3beta-HYDROXYDEOXODIHYDRODEOXYGEDUNIN,Inactive,
-79289859,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,GECHUMIMRBOMGK-UHFFFAOYSA-N,249.057197592,1.4646000000000001,0.964625,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,SULFAPYRIDINE,Inactive,
-20117379,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,MUPQZWGSBCWCAV-UHFFFAOYSA-N,323.10387301199995,0.8665,0.964745,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,TERBUTALINE HEMISULFATE,Inactive,
-72593162,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,SARMGXPVOFNNNG-UHFFFAOYSA-N,289.086100904,2.6308399999999996,0.96518,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,CHLOROGUANIDE HYDROCHLORIDE,Inactive,
-69192384,C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,HZEQBCVBILBTEP-UHFFFAOYSA-N,436.20319312399994,2.4726,0.9652,C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,ESTROPIPATE,Inactive,
-10642332,O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1,ALLWOAVDORUJLA-UHFFFAOYSA-N,370.07203464,2.6071999999999997,0.965255,O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1,REBAMIPIDE,Inactive,
-39622244,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,YZXBAPSDXZZRGB-UHFFFAOYSA-N,304.240230264,6.216700000000006,0.965685,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,ARACHIDONIC ACID,Inactive,
-53029295,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)C=CC(=O)O,SSOXZAQUVINQSA-UHFFFAOYSA-N,356.17360724799994,2.877,0.966075,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)C=CC(=O)O,PHENIRAMINE MALEATE,Inactive,
-24956450,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)[O-].[Ca+2],DYJKAHNDTTZSNX-UHFFFAOYSA-M,597.2072178080899,4.598100000000007,0.966385,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)[O-].[Ca+2],ATORVASTATIN CALCIUM,Inactive,
-10496394,Cl.NCC(N)C(=O)O,SKWCZPYWFRTSDD-UHFFFAOYSA-N,140.035255208,-1.2211999999999998,0.966515,Cl.NCC(N)C(=O)O,BETA-AMINOALANINE HYDROCHLORIDE,Inactive,
-29910208,O=C(O)CCCCC(=O)O,WNLRTRBMVRJNCN-UHFFFAOYSA-N,146.0579088,0.716,0.966525,O=C(O)CCCCC(=O)O,ADIPIC ACID,Inactive,
-37735676,CC1(C)CC2C1CCC1(C)OC1CCC2(C)O,KGYCKUADVHYVLM-UHFFFAOYSA-N,238.193280072,3.131200000000002,0.966625,CC1(C)CC2C1CCC1(C)OC1CCC2(C)O,2-HYDROXY-5 (6)EPOXY-TETRAHYDROCARYOPHYLLENE,Inactive,
-53325143,CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)C=CC(=O)O,IPANUAHQWFDVAG-UHFFFAOYSA-N,409.1347792159999,4.390500000000003,0.96668,CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)C=CC(=O)O,PIMETHIXENE MALEATE,Inactive,
-10327055,O=[N+]([O-])c1ccc([As](=O)(O)O)cc1,FUUFQLXAIUOWML-UHFFFAOYSA-N,246.946193792,-0.8442000000000001,0.966735,O=[N+]([O-])c1ccc([As](=O)(O)O)cc1,NITARSONE,Inactive,
-33567245,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)C=CC(=O)O,DBAKFASWICGISY-UHFFFAOYSA-N,390.1346348959999,3.5304,0.966795,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)C=CC(=O)O,CHLORPHENIRAMINE MALEATE,Inactive,
-32197580,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,RZZPDXZPRHQOCG-UHFFFAOYSA-N,488.10733091199995,-2.2304999999999957,0.96681,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,CITICOLINE,Inactive,
-60740184,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,ZQSIJRDFPHDXIC-UHFFFAOYSA-N,254.0579088,2.871200000000001,0.967005,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,DAIDZEIN,Inactive,
-11623458,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,QXWYKJLNLSIPIN-UHFFFAOYSA-N,213.063722452,-0.4569000000000002,0.967015,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,DROXYDOPA,Inactive,
-11200938,COc1cc(C(=O)O)cc(OC)c1O,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,198.05282342,1.1076,0.967225,COc1cc(C(=O)O)cc(OC)c1O,SYRINGIC ACID,Inactive,
-54320379,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,RBZIGQJSMCOHSS-UHFFFAOYSA-N,437.1798148239999,1.3723999999999996,0.96772,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,OXOLAMINE CITRATE,Inactive,
-36247901,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],GKEGFOKQMZHVOW-UHFFFAOYSA-M,431.109605792,-0.291499999999999,0.967725,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],CLIDINIUM BROMIDE,Inactive,
-47853600,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,RGOVYLWUIBMPGK-UHFFFAOYSA-N,293.199093724,3.7676000000000025,0.96778,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,NONIVAMIDE,Inactive,
-10989073,CCOC(=O)c1ccc(N)cc1,BLFLLBZGZJTVJG-UHFFFAOYSA-N,165.078978592,1.4455,0.96792,CCOC(=O)c1ccc(N)cc1,BENZOCAINE,Inactive,
-54677079,COc1ccc(C=CC(=O)O)cc1OC,HJBWJAPEBGSQPR-UHFFFAOYSA-N,208.073558864,1.8016,0.96805,COc1ccc(C=CC(=O)O)cc1OC,DIMETHYLCAFFEIC ACID,Inactive,
-87123606,NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O,HZQDCMWJEBCWBR-UHFFFAOYSA-N,259.080435136,-2.7009,0.96806,NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O,MIZORIBINE,Inactive,
-10649432,COc1ccc2c(C)cc(=O)oc2c1,UDFPKNSWSYBIHO-UHFFFAOYSA-N,190.06299418,2.11002,0.9681,COc1ccc2c(C)cc(=O)oc2c1,HYMECROMONE METHYL ETHER,Inactive,
-14259122,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,YEZNLOUZAIOMLT-UHFFFAOYSA-N,261.055656304,4.090220000000002,0.968585,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,TOLFENAMIC ACID,Inactive,
-10705070,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,KZJWDPNRJALLNS-UHFFFAOYSA-N,414.38616622,8.02480000000001,0.96876,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,beta-SITOSTEROL,Inactive,
-91371595,O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,FTVWIRXFELQLPI-UHFFFAOYSA-N,272.06847348400004,2.5099000000000014,0.968895,O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,NARINGENIN,Inactive,
-24407365,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,JAUOIFJMECXRGI-UHFFFAOYSA-N,310.123676288,4.018900000000002,0.969015,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,DESLORATIDINE,Inactive,
-61905130,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl,VCTHNOIYJIXQLV-UHFFFAOYSA-N,462.139631968,6.399220000000007,0.96903,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl,MECLIZINE HYDROCHLORIDE,Inactive,
-10783668,C=CCC1(O)CCC2C3CCC4=CCCCC4C3CCC21C,ATXHVCQZZJYMCF-UHFFFAOYSA-N,300.245315644,5.2564000000000055,0.969485,C=CCC1(O)CCC2C3CCC4=CCCCC4C3CCC21C,ALLYLESTRENOL,Inactive,
-11019870,COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,YKPUWZUDDOIDPM-UHFFFAOYSA-N,305.199093724,3.789600000000003,0.96985,COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,CAPSAICIN,Inactive,
-71549743,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,LPLVUJXQOOQHMX-UHFFFAOYSA-N,822.403785904,2.245600000000003,0.969955,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,
-39761042,CC(=O)OCC(=O)C1(OC(C)=O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,BOBLHFUVNSFZPJ-UHFFFAOYSA-N,494.211609804,2.9853000000000014,0.970085,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,
-73478996,C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl,BBAZDLONIUABKI-UHFFFAOYSA-N,307.029747172,3.7491000000000034,0.97023,C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl,CLORGILINE HYDROCHLORIDE,Inactive,
-10747977,CC1=CC(=O)C(C(C)C)=CC1=O,KEQHJBNSCLWCAE-UHFFFAOYSA-N,164.083729624,1.6669,0.970255,CC1=CC(=O)C(C(C)C)=CC1=O,THYMOQUINONE,Inactive,
-55597980,COC1C(O)C(O)C(O)C(O)C1O,DSCFFEYYQKSRSV-UHFFFAOYSA-N,194.079038168,-3.1805,0.97035,COC1C(O)C(O)C(O)C(O)C1O,QUEBRACHITOL,Inactive,
-75315281,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O,ZEEPCWVFSHMOPI-UHFFFAOYSA-N,448.1668076159998,2.3643999999999994,0.970685,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O,TRIMEPRAZINE TARTRATE,Inactive,
-64647417,C=CCCCCCCCCCCCC(O)CC(O)CO,DFEHQWFIOMAGBM-UHFFFAOYSA-N,286.250794948,3.5677000000000016,0.97085,C=CCCCCCCCCCCCC(O)CC(O)CO,AVOCADENE,Inactive,
-11085144,COc1cc(C)c(C(=O)O)c(O)c1,QUCZMUVAQHIOID-UHFFFAOYSA-N,182.0579088,1.40742,0.9709,COc1cc(C)c(C(=O)O)c(O)c1,EVERNINIC ACID,Inactive,
-18565867,CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1,FULAPETWGIGNMT-UHFFFAOYSA-N,336.10314473999995,2.563200000000001,0.971025,CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1,FIROCOXIB,Inactive,
-68091907,CCC(=O)OC1(C(=O)SCF)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,WMWTYOKRWGGJOA-UHFFFAOYSA-N,500.18442975199997,4.430000000000004,0.97106,CCC(=O)OC1(C(=O)SCF)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,FLUTICASONE PROPIONATE,Inactive,
-48581852,CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,CESYKOGBSMNBPD-UHFFFAOYSA-N,358.956803192,0.5983000000000003,0.971245,CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,METHYCLOTHIAZIDE,Inactive,
-84892078,NCCCS(=O)(=O)O,SNKZJIOFVMKAOJ-UHFFFAOYSA-N,139.030314148,-0.7769999999999997,0.97145,NCCCS(=O)(=O)O,TRAMIPROSATE,Inactive,
-10512743,O=C(CO)C(O)C(O)C(O)CO,BJHIKXHVCXFQLS-UHFFFAOYSA-N,180.063388104,-3.3772000000000006,0.97153,O=C(CO)C(O)C(O)C(O)CO,L(-)-SORBOSE,Inactive,
-10859580,CN1CCOC(c2ccccc2)c2ccccc2C1,RGPDEAGGEXEMMM-UHFFFAOYSA-N,253.146664228,3.238000000000002,0.972115,CN1CCOC(c2ccccc2)c2ccccc2C1,NEFOPAM,Inactive,
-65744623,CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1,ODJLBQGVINUMMR-UHFFFAOYSA-N,404.21988874399995,1.8981999999999999,0.97213,CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1,STROPHANTHIDIN,Inactive,
-58195732,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,NHDHVHZZCFYRSB-UHFFFAOYSA-N,321.136493468,4.720200000000004,0.97223,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,PYRIPROXYFEN,Inactive,
-17149417,Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2,FNQQBFNIYODEMB-UHFFFAOYSA-N,275.02859989600006,0.36232000000000025,0.97228,Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2,METICRANE,Inactive,
-68873314,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,JLKIGFTWXXRPMT-UHFFFAOYSA-N,253.052112212,1.3660199999999998,0.972465,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,SULFAMETHOXAZOLE,Inactive,
-31869435,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,CCEKAJIANROZEO-UHFFFAOYSA-N,526.984779172,4.892600000000002,0.97249,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,
-92173447,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,MBHNWCYEGXQEIT-UHFFFAOYSA-N,509.12822353599995,5.151700000000005,0.972675,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,FLUPHENAZINE HYDROCHLORIDE,Inactive,
-86163801,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+],XOIQMTLWECTKJL-UHFFFAOYSA-M,692.4111570520001,-0.057799999999991414,0.97272,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,
-11952076,CCCCC(O)c1ccccc1,OVGORFFCBUIFIA-UHFFFAOYSA-N,164.120115132,2.9102000000000015,0.972765,CCCCC(O)c1ccccc1,FENIPENTOL,Inactive,
-64140531,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,BGDKAVGWHJFAGW-UHFFFAOYSA-N,284.15247788,2.2062,0.973075,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,TROPICAMIDE,Inactive,
-98597386,CCCCCC(CC(=O)O)C(=O)O,FNZSVEHJZREFPF-UHFFFAOYSA-N,188.104858992,1.7422000000000002,0.97315,CCCCCC(CC(=O)O)C(=O)O,NONIC ACID,Inactive,
-15845413,Cc1ccc(=O)n(-c2ccccc2)c1,ISWRGOKTTBVCFA-UHFFFAOYSA-N,185.084063972,2.1459200000000003,0.973255,Cc1ccc(=O)n(-c2ccccc2)c1,PIRFENIDONE,Inactive,
-91136660,O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,YCWSUKQGVSGXJO-UHFFFAOYSA-N,275.05422038800003,1.6573,0.97335,O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,NIFUROXAZIDE,Inactive,
-11051417,CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+],GWBBVOVXJZATQQ-UHFFFAOYSA-L,249.938414352,-8.248199999999999,0.973365,CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+],ETIDRONATE DISODIUM,Inactive,
-11463337,CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,PCZOHLXUXFIOCF-UHFFFAOYSA-N,404.2562742519999,4.195500000000004,0.973405,CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,LOVASTATIN,Inactive,
-11221748,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,JRFZSUMZAUHNSL-UHFFFAOYSA-N,282.089208928,3.4772000000000025,0.973915,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,CHRYSIN DIMETHYL ETHER,Inactive,
-10716220,CN1CC(=O)NC1=N,DDRJAANPRJIHGJ-UHFFFAOYSA-N,113.058911844,-1.0172299999999999,0.973945,CN1CC(=O)NC1=N,CREATININE,Inactive,
-10233204,C=C1CCC2C(CC2(C)C)C(=O)CCC1O,BSFUDCIRZBAPDS-UHFFFAOYSA-N,222.161979944,2.708900000000001,0.973945,C=C1CCC2C(CC2(C)C)C(=O)CCC1O,ISOKOBUSONE,Inactive,
-17280944,CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1.O=C(O)C=CC(=O)O,WLRMANUAADYWEA-UHFFFAOYSA-N,432.1678702359999,0.21430000000000204,0.974,CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1.O=C(O)C=CC(=O)O,TIMOLOL MALEATE,Inactive,
-17295267,CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C,DNVPQKQSNYMLRS-UHFFFAOYSA-N,396.339216028,7.330800000000009,0.974075,CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C,ERGOSTEROL,Inactive,
-84299221,CC(=O)N=c1sc(S(N)(=O)=O)nn1C,FLOSMHQXBMRNHR-UHFFFAOYSA-N,236.003782116,-1.4237999999999997,0.97432,CC(=O)N=c1sc(S(N)(=O)=O)nn1C,METHAZOLAMIDE,Inactive,
-59450164,Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O,LLECMGGNFBKPRH-UHFFFAOYSA-N,269.10519334,3.253940000000001,0.974605,Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O,FTAXILIDE,Inactive,
-92162184,C=C(C)C1CC=C(C)CC1,XMGQYMWWDOXHJM-UHFFFAOYSA-N,136.125200512,3.308900000000002,0.97469,C=C(C)C1CC=C(C)CC1,d-LIMONENE,Inactive,
-50961630,Cl.NCC(=O)c1ccccc1,CVXGFPPAIUELDV-UHFFFAOYSA-N,171.04509162,1.2498,0.975275,Cl.NCC(=O)c1ccccc1,PHENACYLAMINE HYDROCHLORIDE,Inactive,
-26836191,CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CCC=C(C)C)C1(C)CC3,BQPPJGMMIYJVBR-UHFFFAOYSA-N,468.396730904,9.049900000000003,0.975375,CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CCC=C(C)C)C1(C)CC3,LANOSTEROL ACETATE,Inactive,
-24843747,CNC1(C)C2CCC(C2)C1(C)C.Cl,PKVZBNCYEICAQP-UHFFFAOYSA-N,203.14407738399998,2.842400000000002,0.975605,CNC1(C)C2CCC(C2)C1(C)C.Cl,MECAMYLAMINE HYDROCHLORIDE,Inactive,
-97382133,O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12,QHYWQIVTVQAKQF-UHFFFAOYSA-N,254.0579088,2.8712000000000013,0.975625,O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12,"3,5-DIHYDROXYFLAVONE",Inactive,
-33053725,O=C(O)C1CC(C2CCCCN2)CN2CCCCC12,VFENFLGNSRQELY-UHFFFAOYSA-N,266.199428072,1.7036999999999998,0.975665,O=C(O)C1CC(C2CCCCN2)CN2CCCCC12,APHYLLIC ACID,Inactive,
-24843303,NCc1cccnc1,HDOUGSFASVGDCS-UHFFFAOYSA-N,108.06874825599999,0.5403,0.975775,NCc1cccnc1,PICOLAMINE,Inactive,
-98893696,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,TYNLGDBUJLVSMA-UHFFFAOYSA-N,368.05321734399996,2.0107999999999997,0.975795,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,DIACERIN,Inactive,
-22847600,O=C(O)C1CCCN1,ONIBWKKTOPOVIA-UHFFFAOYSA-N,115.063328528,-0.177,0.975885,O=C(O)C1CCCN1,PROLINE (L),Inactive,
-45771245,CN(C)CCN(Cc1cccs1)c1ccccn1.Cl,BONORRGKLJBGRV-UHFFFAOYSA-N,297.10664632,3.133100000000002,0.97598,CN(C)CCN(Cc1cccs1)c1ccccn1.Cl,METHAPYRILENE HYDROCHLORIDE,Inactive,
-81280806,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,RUDATBOHQWOJDD-UHFFFAOYSA-N,392.29265976,4.477900000000004,0.97604,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CHENODIOL,Inactive,
-16756844,CC(C)c1c(O)ccc2c1CCC1C(C)(C=O)CCCC21C,QMRLEXVAVRHWSE-UHFFFAOYSA-N,300.208930136,4.7248000000000046,0.976055,CC(C)c1c(O)ccc2c1CCC1C(C)(C=O)CCCC21C,TOTARALOLAL,Inactive,
-40554204,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,VSJKWCGYPAHWDS-UHFFFAOYSA-N,348.111006992,2.0796,0.976205,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,CAMPTOTHECIN,Inactive,
-81233008,CN(C)Cc1c[nH]c2ccccc12,OCDGBSUVYYVKQZ-UHFFFAOYSA-N,174.115698448,2.2295,0.976295,CN(C)Cc1c[nH]c2ccccc12,GRAMINE,Inactive,
-62554421,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,KFYRPLNVJVHZGT-UHFFFAOYSA-N,313.159727448,4.590400000000005,0.97636,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,AMITRIPTYLINE HYDROCHLORIDE,Inactive,
-72653488,C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21,KTEXNACQROZXEV-UHFFFAOYSA-N,248.1412445,2.7620000000000013,0.976425,C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21,PARTHENOLIDE,Inactive,
-89706481,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,HEYVINCGKDONRU-UHFFFAOYSA-N,275.084369588,3.721100000000003,0.97647,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,BUPROPION,Inactive,
-10012137,CCOc1ccc(NC(=O)CC(C)O)cc1,LIAWQASKBFCRNR-UHFFFAOYSA-N,223.120843404,1.7946999999999997,0.97647,CCOc1ccc(NC(=O)CC(C)O)cc1,BUCETIN,Inactive,
-68023476,Cc1cccc(O)c1,RLSSMJSEOOYNOY-UHFFFAOYSA-N,108.057514876,1.7006199999999998,0.976545,Cc1cccc(O)c1,METACRESOL,Inactive,
-99499972,CC(=O)OC1(C(C)=O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C,RQZAXGRLVPAYTJ-UHFFFAOYSA-N,384.230059504,4.575300000000005,0.976795,CC(=O)OC1(C(C)=O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C,MEGESTROL ACETATE,Inactive,
-70615483,COc1cc2c(cc1-c1coc3c4c(ccc3c1=O)OC(C)(C)CC4)OCO2,CMRKWZWNFFFDOQ-UHFFFAOYSA-N,380.12598835999995,4.300900000000005,0.976955,COc1cc2c(cc1-c1coc3c4c(ccc3c1=O)OC(C)(C)CC4)OCO2,JAMAICIN,Inactive,
-10158959,CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1O,MYEJFUXQJGHEQK-UHFFFAOYSA-N,530.2879683039998,3.013800000000002,0.97744,CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1O,PROSCILLARIDIN A,Inactive,
-63640824,CC(=O)OC1CC2CCC1(C)C2(C)C,KGEKLUUHTZCSIP-UHFFFAOYSA-N,196.14632988,2.7643000000000013,0.977515,CC(=O)OC1CC2CCC1(C)C2(C)C,BORNYL ACETATE,Inactive,
-73963300,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,RSFGNDXWVZPKJA-UHFFFAOYSA-N,667.4043950240001,3.0053000000000045,0.977765,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,
-40911653,FC(F)(F)C(Cl)Br,BCQZXOMGPXTTIC-UHFFFAOYSA-N,195.890224472,2.5084999999999997,0.97782,FC(F)(F)C(Cl)Br,HALOTHANE,Inactive,
-11171505,CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35C(O)CC12C,PYBFXJMIKJNNAJ-UHFFFAOYSA-N,616.3611332439998,3.0923000000000007,0.97792,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,
-95838380,O=C1NS(=O)(=O)c2ccccc21,CVHZOJJKTDOEJC-UHFFFAOYSA-N,182.99901402,0.11869999999999997,0.977945,O=C1NS(=O)(=O)c2ccccc21,SACCHARIN,Inactive,
-80143273,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,JZFPYUNJRRFVQU-UHFFFAOYSA-N,282.061612188,3.542200000000001,0.977995,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,NIFLUMIC ACID,Inactive,
-66431175,CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(C(=O)CCl)O1,MUQNGPZZQDCDFT-UHFFFAOYSA-N,454.1922300239999,3.889300000000003,0.978085,CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(C(=O)CCl)O1,HALCINONIDE,Inactive,
-30826489,CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C,OFMXGFHWLZPCFL-UHFFFAOYSA-N,426.38616622,8.457000000000006,0.97816,CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C,FRIEDELIN,Inactive,
-52783068,CC1=CCc2c(cc3oc(C)cc(=O)c3c2O)OC1,IUIHYYSAVUBPQO-UHFFFAOYSA-N,258.089208928,2.688220000000001,0.97833,CC1=CCc2c(cc3oc(C)cc(=O)c3c2O)OC1,PTAEROXYLIN,Inactive,
-28514357,CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C21,XSXCZNVKFKNLPR-UHFFFAOYSA-N,236.090940244,-1.2899999999999994,0.97835,CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C21,CARBAZOCHROME,Inactive,
-60175620,CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1,IVXFOQQPPONQTB-UHFFFAOYSA-N,396.08451747199996,3.2359000000000018,0.97858,CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1,APIGENIN TRIACETATE,Inactive,
-65701452,CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,HCZKYJDFEPMADG-UHFFFAOYSA-N,302.151809184,3.5664000000000033,0.978675,CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,NORDIHYDROGUARETIC ACID,Inactive,
-32357018,CCCCCCCCCCCCCCCCCCCCCCO,NOPFSRXAKWQILS-UHFFFAOYSA-N,326.35486609199995,7.800600000000008,0.978685,CCCCCCCCCCCCCCCCCCCCCCO,DOCOSANOL,Inactive,
-32293718,C#CCCCCCCCCCCCC(O)CC(O)CO.C=CCCCCCCCCCCCC(O)CC(O)CO,MKQLKSXQNMNNHU-UHFFFAOYSA-N,570.4859398319999,6.582600000000009,0.97879,C#CCCCCCCCCCCCC(O)CC(O)CO.C=CCCCCCCCCCCCC(O)CC(O)CO,AVOCATIN B,Inactive,
-97902806,CCCC(CCC)C(=O)[O-].[Na+],AEQFSUDEHCCHBT-UHFFFAOYSA-M,166.096974,-2.043299999999997,0.9788,CCCC(CCC)C(=O)[O-].[Na+],VALPROATE SODIUM,Inactive,
-55735961,Cl.NCCCC(N)C(=O)O,GGTYBZJRPHEQDG-UHFFFAOYSA-N,168.066555336,-0.4410000000000001,0.979095,Cl.NCCCC(N)C(=O)O,ORNITHINE HYDROCHLORIDE,Inactive,
-10030807,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,WEQAYVWKMWHEJO-UHFFFAOYSA-N,273.022641924,1.6155000000000002,0.979115,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,CHLORMEZANONE,Inactive,
-11006400,CC1(C)C(=O)C2CC3(O)C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C(C)(C2=O)C1CC(=O)O,UKTUQKGXNWDYAI-UHFFFAOYSA-N,470.19406791999995,3.2464000000000013,0.97925,CC1(C)C(=O)C2CC3(O)C4=CC(=O)OC(c5ccoc5)C4(C)CCC3C(C)(C2=O)C1CC(=O)O,8-HYDROXYCARAPINIC ACID,Inactive,
-41077681,COC(=O)CC1C(C)(C)C(OC(C)=O)C2CC3C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,INDUNANCUDNZJY-UHFFFAOYSA-N,514.256668176,4.662400000000004,0.979375,COC(=O)CC1C(C)(C)C(OC(C)=O)C2CC3C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,DIHYDROFISSINOLIDE,Inactive,
-12015768,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,QBPFLULOKWLNNW-UHFFFAOYSA-N,240.042258736,1.873199999999999,0.979395,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,DANTHRON,Inactive,
-73839634,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,OKIJSNGRQAOIGZ-UHFFFAOYSA-N,226.120509056,1.9816,0.97945,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,BUTOPYRONOXYL,Inactive,
-42357486,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],JHPHVAVFUYTVCL-UHFFFAOYSA-M,195.102606496,-2.3517999999999963,0.979515,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],METHACHOLINE CHLORIDE,Inactive,
-55859006,CCN(CC)CCNC(=O)COc1ccc(OC)cc1.Cl,AXBHPHPHZHAOAK-UHFFFAOYSA-N,316.15537034,1.9537999999999998,0.97954,CCN(CC)CCNC(=O)COc1ccc(OC)cc1.Cl,MEFEXAMIDE HYDROCHLORIDE,Inactive,
-21915703,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O,CBMYJHIOYJEBSB-UHFFFAOYSA-N,292.240230264,3.750900000000003,0.97957,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O,EPIANDROSTANEDIOL,Inactive,
-80530534,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl,MKBLHFILKIKSQM-UHFFFAOYSA-N,329.12948994,3.5503200000000033,0.97962,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl,ONDANSETRON HYDROCHLORIDE,Inactive,
-57583984,Cc1ccc(C2OC(CO)C(O)C(O)C2O)cc1Cc1ccc(-c2ccc(F)cc2)s1,XTNGUQKDFGDXSJ-UHFFFAOYSA-N,444.1406731200001,2.968320000000001,0.979825,Cc1ccc(C2OC(CO)C(O)C(O)C2O)cc1Cc1ccc(-c2ccc(F)cc2)s1,CANAGLIFLOZIN,Inactive,
-53253223,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,MCCACAIVAXEFAL-UHFFFAOYSA-N,476.98166667999993,6.107100000000003,0.9799,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,MICONAZOLE NITRATE,Inactive,
-10859329,O=C(CNC(=O)c1ccc(Cl)cc1)NO,JFZGBMJPJZDNNT-UHFFFAOYSA-N,228.030169828,0.5751999999999999,0.97991,O=C(CNC(=O)c1ccc(Cl)cc1)NO,BENURESTAT,Inactive,
-10290301,CCc1cc(C(N)=S)ccn1,AEOCXXJPGCBFJA-UHFFFAOYSA-N,166.05646932,1.2782,0.97992,CCc1cc(C(N)=S)ccn1,ETHIONAMIDE,Inactive,
-98945210,Cn1c([N+](=O)[O-])cnc1COC(N)=O,PQFRTXSWDXZRRS-UHFFFAOYSA-N,200.054554736,-0.07640000000000013,0.98022,Cn1c([N+](=O)[O-])cnc1COC(N)=O,RONIDAZOLE,Inactive,
-31963816,O=C(O)C=Cc1ccc(O)c(O)c1,QAIPRVGONGVQAS-UHFFFAOYSA-N,180.042258736,1.1956,0.98026,O=C(O)C=Cc1ccc(O)c(O)c1,CAFFEIC ACID,Inactive,
-97590567,Cl.c1ccc(CC2=NCCN2)cc1,RHTNTTODYGNRSP-UHFFFAOYSA-N,196.076726096,1.6525999999999996,0.98038,Cl.c1ccc(CC2=NCCN2)cc1,TOLAZOLINE HYDROCHLORIDE,Inactive,
-62663306,Cc1occc(=O)c1O,XPCTZQVDEJYUGT-UHFFFAOYSA-N,126.031694052,0.6538199999999998,0.980445,Cc1occc(=O)c1O,LARIXINIC ACID,Inactive,
-16748368,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl,RBGWCEWDAHDPEH-UHFFFAOYSA-N,359.165206752,4.267800000000005,0.980575,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl,PIPERIDOLATE HYDROCHLORIDE,Inactive,
-10178442,CCN(CC)C(=O)c1cccc(C)c1,MMOXZBCLCQITDF-UHFFFAOYSA-N,191.131014164,2.4770200000000004,0.980575,CCN(CC)C(=O)c1cccc(C)c1,DIETHYLTOLUAMIDE,Inactive,
-21840960,CC1CCC2C(C)(CO)C(O)CCC2(C)C12CCC(CO)(CCO)O2,XYPPDQHBNJURHU-UHFFFAOYSA-N,356.2562742519999,1.8547999999999996,0.98064,CC1CCC2C(C)(CO)C(O)CCC2(C)C12CCC(CO)(CCO)O2,LAGOCHILIN,Inactive,
-74827417,C=CCN=C=S,ZOJBYZNEUISWFT-UHFFFAOYSA-N,99.01427016,1.2752,0.98068,C=CCN=C=S,ALLYLISOTHIOCYANATE,Inactive,
-12366994,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,AUNGANRZJHBGPY-UHFFFAOYSA-N,376.13828435999994,-1.7235599999999989,0.98086,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,RIBOFLAVIN,Inactive,
-43828592,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,MRMHZWKIOFZZID-UHFFFAOYSA-N,544.2672328599999,4.118100000000004,0.98101,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,
-37555150,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])O)c2cc1C.[Na+],OHSHFZJLPYLRIP-UHFFFAOYSA-M,478.0865591299999,-5.234559999999995,0.98103,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])O)c2cc1C.[Na+],RIBOFLAVIN 5-PHOSPHATE SODIUM,Inactive,
-16228121,O=c1c(O)c(-c2ccc(O)cc2)oc2ccccc12,GPGOCTLAUAHUQO-UHFFFAOYSA-N,254.0579088,2.871200000000001,0.981165,O=c1c(O)c(-c2ccc(O)cc2)oc2ccccc12,"3,4'-DIHYDROXYFLAVONE",Inactive,
-54378811,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1,FYVQSXRFGAIFQK-UHFFFAOYSA-N,420.1572884879999,5.159000000000005,0.98141,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1,ISOPOMIFERIN,Inactive,
-11187003,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],GXOMMGAFBINOJY-UHFFFAOYSA-M,491.008541252,-1.1285799999999995,0.98146,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],DICLOXACILLIN SODIUM,Inactive,
-72539403,O=C(CCBr)N1CCN(C(=O)CCBr)CC1,NJBFOOCLYDNZJN-UHFFFAOYSA-N,353.957851952,1.2272,0.98147,O=C(CCBr)N1CCN(C(=O)CCBr)CC1,PIPOBROMAN,Inactive,
-86621231,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,BUVRFGBECZFCRL-UHFFFAOYSA-N,844.3517503319999,3.3446000000000025,0.98159,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,
-86262088,CC(=O)NC1CCSC1=O,NRFJZTXWLKPZAV-UHFFFAOYSA-N,159.035399528,0.15460000000000013,0.98162,CC(=O)NC1CCSC1=O,CITIOLONE,Inactive,
-86554109,Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,PGLIUCLTXOYQMV-UHFFFAOYSA-N,460.10872576400004,3.991800000000003,0.981635,Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CETIRIZINE HYDROCHLORIDE,Inactive,
-11444785,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,AKPJXLBXDLSOFY-UHFFFAOYSA-N,570.282882924,4.757300000000004,0.981665,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,
-70934771,O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12,YHLLABKHTFWHSZ-UHFFFAOYSA-N,254.0579088,2.871200000000001,0.98169,O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12,"3',6-DIHYDROXYFLAVONE",Inactive,
-69845013,CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O,WLHQHAUOOXYABV-UHFFFAOYSA-N,370.9801254799999,2.2958999999999996,0.981775,CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O,LORNOXICAM,Inactive,
-80763952,COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,FFWOKTFYGVYKIR-UHFFFAOYSA-N,284.068473484,2.1902200000000005,0.981775,COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,PHYSCION,Inactive,
-76235579,CC(=O)NC(CCC(N)=O)C(=O)O,KSMRODHGGIIXDV-UHFFFAOYSA-N,188.079706864,-1.1587999999999987,0.98207,CC(=O)NC(CCC(N)=O)C(=O)O,ACEGLUTAMIDE,Inactive,
-44748513,COc1cc(C=O)ccc1O,MWOOGOJBHIARFG-UHFFFAOYSA-N,152.047344116,1.2132999999999998,0.982205,COc1cc(C=O)ccc1O,VANILLIN,Inactive,
-72698367,CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,CVKZWRTYHCDWTE-UHFFFAOYSA-N,472.3188745079999,5.543600000000006,0.98233,CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,HECOGENIN ACETATE,Inactive,
-96043059,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,FUSNMLFNXJSCDI-UHFFFAOYSA-N,307.10308516400005,4.948320000000003,0.98244,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,TOLNAFTATE,Inactive,
-89664412,CNCCCN1c2ccccc2CCc2ccccc21.Cl,XAEWZDYWZHIUCT-UHFFFAOYSA-N,302.154976416,3.954600000000004,0.98247,CNCCCN1c2ccccc2CCc2ccccc21.Cl,DESIPRAMINE HYDROCHLORIDE,Inactive,
-54399509,NC(Cn1ccc(=O)c(O)c1)C(=O)O,WZNJWVWKTVETCG-UHFFFAOYSA-N,198.0640568,-1.0342000000000002,0.98291,NC(Cn1ccc(=O)c(O)c1)C(=O)O,MIMOSINE,Inactive,
-99808599,Cl.NCc1ccc(S(N)(=O)=O)cc1,SIACJRVYIPXFKS-UHFFFAOYSA-N,222.022976272,0.2144999999999998,0.98297,Cl.NCc1ccc(S(N)(=O)=O)cc1,MAFENIDE HYDROCHLORIDE,Inactive,
-72535110,CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C(O)C=CC(=O)O,FQRHOOHLUYHMGG-UHFFFAOYSA-N,442.1562429319999,4.155400000000002,0.983055,CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C(O)C=CC(=O)O,ACEPROMAZINE MALEATE,Inactive,
-41280027,Cl.Clc1ccccc1CN1CCc2sccc2C1,MTKNGOHFNXIVOS-UHFFFAOYSA-N,299.03022584,4.381600000000003,0.98319,Cl.Clc1ccccc1CN1CCc2sccc2C1,TICLOPIDINE HYDROCHLORIDE,Inactive,
-13031199,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O,WIGIZIANZCJQQY-UHFFFAOYSA-N,490.224991188,3.0740000000000016,0.98322,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O,GLIMEPIRIDE,Inactive,
-81519526,Cl.NCCc1ccccc1,SKHIBNDAFWIOPB-UHFFFAOYSA-N,157.065827064,1.6096000000000001,0.983315,Cl.NCCc1ccccc1,PHENETHYLAMINE HYDROCHLORIDE,Inactive,
-37995730,COc1ccc(C=CC(=O)c2ccccc2)cc1,XUFXKBJMCRJATM-UHFFFAOYSA-N,238.099379688,3.591300000000002,0.983545,COc1ccc(C=CC(=O)c2ccccc2)cc1,4-METHOXYCHALCONE,Inactive,
-43223081,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,HNNIWKQLJSNAEQ-UHFFFAOYSA-N,345.160790068,3.836900000000003,0.98372,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,BENZYDAMINE HYDROCHLORIDE,Inactive,
-41324521,CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,SGOIRFVFHAKUTI-UHFFFAOYSA-N,287.078340558,-0.051200000000000134,0.983895,CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,TENOFOVIR,Inactive,
-24285550,COc1cccc(O)c1O,LPYUENQFPVNPHY-UHFFFAOYSA-N,140.047344116,1.1063999999999996,0.983905,COc1cccc(O)c1O,3-METHOXYCATECHOL,Inactive,
-60914255,O=C(C=Cc1ccc(O)c(O)c1)C=C(O)C=Cc1ccc(O)c(O)c1,MQHBAUYEIFLTRU-UHFFFAOYSA-N,340.09468823199995,3.2466000000000017,0.9843,O=C(C=Cc1ccc(O)c(O)c1)C=C(O)C=Cc1ccc(O)c(O)c1,DI-O-DEMETHYLCURCUMIN,Inactive,
-89393072,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,WIHMBLDNRMIGDW-UHFFFAOYSA-N,404.089953644,4.390880000000004,0.984315,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CITALOPRAM HYDROBROMIDE,Inactive,
-10435699,NC(=O)CN1CCCC1=O,GMZVRMREEHBGGF-UHFFFAOYSA-N,142.07422756,-0.9059000000000004,0.98432,NC(=O)CN1CCCC1=O,PIRACETAM,Inactive,
-11151907,O=S(=O)([O-])CCS.[Na+],XOGTZOOQQBDUSI-UHFFFAOYSA-M,163.9577803,-3.534599999999999,0.984575,O=S(=O)([O-])CCS.[Na+],MESNA,Inactive,
-33494389,COc1ccc(OC)c(C(O)C(C)N)c1.Cl,YGRFXPCHZBRUKP-UHFFFAOYSA-N,247.097521116,1.5062,0.98496,COc1ccc(OC)c(C(O)C(C)N)c1.Cl,METHOXAMINE HYDROCHLORIDE,Inactive,
-55375726,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,CRKGMGQUHDNAPB-UHFFFAOYSA-N,458.99779541199996,6.170300000000004,0.985135,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,SULCONAZOLE NITRATE,Inactive,
-66145185,CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12.Cl,BWMISRWJRUSYEX-UHFFFAOYSA-N,327.17537751199995,5.2991000000000055,0.98515,CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12.Cl,TERBINAFINE HYDROCHLORIDE,Inactive,
-67614997,Cc1c(O)c(=O)ccn1C,TZXKOCQBRNJULO-UHFFFAOYSA-N,139.063328528,0.39931999999999984,0.98516,Cc1c(O)c(=O)ccn1C,DEFERIPRONE,Inactive,
-41233420,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],JRRNZNSGDSFFIR-UHFFFAOYSA-M,419.109605792,-0.291499999999999,0.98533,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],MEPENZOLATE BROMIDE,Inactive,
-92780427,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,NVTLDVSBUJGIAD-UHFFFAOYSA-N,914.1905582360002,3.560700000000014,0.98533,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,
-38354460,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)[O-].[Ca+2],XDIJJHVJIZNZGO-UHFFFAOYSA-M,520.1225022040899,0.6861999999999999,0.98546,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,
-38254101,CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O,LPQZKKCYTLCDGQ-UHFFFAOYSA-N,300.05284048399994,-1.523199999999998,0.98549,CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O,TAZOBACTAM,Inactive,
-44144396,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,BOEGTKLJZSQCCD-UHFFFAOYSA-N,363.088891644,0.15050000000000108,0.98552,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,CEFADROXIL,Inactive,
-37144671,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,OENHQHLEOONYIE-UHFFFAOYSA-N,536.438201792,12.605799999999977,0.98552,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,
-12082021,NC(CC(=O)O)C(=O)O,CKLJMWTZIZZHCS-UHFFFAOYSA-N,133.037507704,-1.127,0.985605,NC(CC(=O)O)C(=O)O,ASPARTIC ACID (L),Inactive,
-55287451,Cl.NC(Cc1ccc(Cl)cc1)C(=O)O,PFOCEDBJFKVRHU-UHFFFAOYSA-N,235.016683952,1.7162,0.98587,Cl.NC(Cc1ccc(Cl)cc1)C(=O)O,FENCLONINE (+/-),Inactive,