| chembl_id,smiles | |
| CHEMBL1078178,N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 | |
| CHEMBL109,CCCC(CCC)C(=O)O | |
| CHEMBL1090479,CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1 | |
| CHEMBL1090771,NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1 | |
| CHEMBL109480,C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O | |
| CHEMBL1098319,O=S(=O)(O)CCS | |
| CHEMBL1156461, | |
| CHEMBL116438, | |
| CHEMBL1170047,NC(=O)c1ccc(I)c([N+](=O)[O-])c1 | |
| CHEMBL1173055,CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 | |
| CHEMBL118,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | |
| CHEMBL1200485,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1 | |
| CHEMBL1200675,CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O | |
| CHEMBL1200751,O.S=c1[nH]cnc2nc[nH]c12 | |
| CHEMBL1201129,Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | |
| CHEMBL1201148,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO | |
| CHEMBL1201182,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | |
| CHEMBL1201187,Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | |
| CHEMBL1201616, | |
| CHEMBL1213492,CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1 | |
| CHEMBL1218,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3 | |
| CHEMBL1231124,Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1 | |
| CHEMBL1231461,Br | |
| CHEMBL1241855,COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1 | |
| CHEMBL1257042,N#C/C(=C/c1ccc(O)c(O)c1)C(=O)NCc1ccccc1 | |
| CHEMBL1287853,Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | |
| CHEMBL1358,C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O | |
| CHEMBL1421,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | |
| CHEMBL1425,Sc1ncnc2nc[nH]c12 | |
| CHEMBL1455,CN(C)c1nc(N(C)C)nc(N(C)C)n1 | |
| CHEMBL14762,CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 | |
| CHEMBL1489,Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 | |
| CHEMBL1504,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | |
| CHEMBL1551724,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N | |
| CHEMBL1556,O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | |
| CHEMBL1645462,Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 | |
| CHEMBL165,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 | |
| CHEMBL1651524,O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 | |
| CHEMBL1651906,CN(N=O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O | |
| CHEMBL1746,O=C([O-])CCCc1ccccc1.[Na+] | |
| CHEMBL1773,CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F | |
| CHEMBL1789941,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 | |
| CHEMBL185,O=c1[nH]cc(F)c(=O)[nH]1 | |
| CHEMBL1851943,CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC | |
| CHEMBL189584,CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1 | |
| CHEMBL1908397,O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1 | |
| CHEMBL191003,Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F | |
| CHEMBL191482,CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1 | |
| CHEMBL1923234,C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1 | |
| CHEMBL1946170,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 | |
| CHEMBL1952329,CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 | |
| CHEMBL202721,COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 | |
| CHEMBL2062804,CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1 | |
| CHEMBL2103863,CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12 | |
| CHEMBL2103875,CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1 | |
| CHEMBL2105613,CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+] | |
| CHEMBL2105734,COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-] | |
| CHEMBL2105759,CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1 | |
| CHEMBL2105763,Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 | |
| CHEMBL2107823,Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1 | |
| CHEMBL2110734,COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O | |
| CHEMBL2137530,c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1 | |
| CHEMBL2140408,Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1 | |
| CHEMBL215152,CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 | |
| CHEMBL221959,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 | |
| CHEMBL223360,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 | |
| CHEMBL225071,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1 | |
| CHEMBL2338329,Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 | |
| CHEMBL235191,CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1 | |
| CHEMBL2354444,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 | |
| CHEMBL243712,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC | |
| CHEMBL244948,O=c1ccc2ccc(O)c(O)c2o1 | |
| CHEMBL24828,COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | |
| CHEMBL252164,CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 | |
| CHEMBL255863,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 | |
| CHEMBL257990,N[C@H]1C[C@@H]1c1ccccc1 | |
| CHEMBL259084,O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 | |
| CHEMBL261237,N#C/C(=C(/N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F | |
| CHEMBL272980,Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1 | |
| CHEMBL27759,Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 | |
| CHEMBL288441,COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | |
| CHEMBL299613,COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | |
| CHEMBL30,CN/C(=N\CCSCc1nc[nH]c1C)NC#N | |
| CHEMBL300138,Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 | |
| CHEMBL313833,NC1CC1c1ccccc1 | |
| CHEMBL3182444, | |
| CHEMBL3233481,CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.Cl | |
| CHEMBL329993,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 | |
| CHEMBL3301607,O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 | |
| CHEMBL33778,CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O | |
| CHEMBL3414621,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 | |
| CHEMBL3544932,CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1 | |
| CHEMBL3544989, | |
| CHEMBL3545215,CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21 | |
| CHEMBL3545320, | |
| CHEMBL35482,COc1cccc(-c2cc(=O)c3ccccc3o2)c1N | |
| CHEMBL356066,O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO | |
| CHEMBL3621988,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1 | |
| CHEMBL3622533,COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1 | |
| CHEMBL363160,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1 | |
| CHEMBL372303,CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 | |
| CHEMBL376408,CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-] | |
| CHEMBL380797,CC(NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1 | |
| CHEMBL38380,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | |
| CHEMBL383824,CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O | |
| CHEMBL3989843,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | |
| CHEMBL3989914,COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2)nc1 | |
| CHEMBL3989958,N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1 | |
| CHEMBL4,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | |
| CHEMBL401930,Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12 | |
| CHEMBL402548,CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 | |
| CHEMBL408194,COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C | |
| CHEMBL408513,O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO | |
| CHEMBL4116008,CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1 | |
| CHEMBL4205422,O=C(O)CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 | |
| CHEMBL428690,CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 | |
| CHEMBL4296717,CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1 | |
| CHEMBL4297436,Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1 | |
| CHEMBL4303060,CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1 | |
| CHEMBL440084,NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1 | |
| CHEMBL443684,CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1 | |
| CHEMBL455368,C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O | |
| CHEMBL458875,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O | |
| CHEMBL460499,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O | |
| CHEMBL4650286,Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1 | |
| CHEMBL468,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1 | |
| CHEMBL473773,COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC | |
| CHEMBL477936,Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 | |
| CHEMBL482767,O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1 | |
| CHEMBL482967,Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1 | |
| CHEMBL482968,Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1 | |
| CHEMBL483158,COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O | |
| CHEMBL483254,Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 | |
| CHEMBL488,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O | |
| CHEMBL491473,COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 | |
| CHEMBL495727,O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 | |
| CHEMBL50,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | |
| CHEMBL502835,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1 | |
| CHEMBL506871,C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1 | |
| CHEMBL514,O=NN(CCCl)C(=O)NC1CCCCC1 | |
| CHEMBL514409,CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2 | |
| CHEMBL52885,Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21 | |
| CHEMBL554,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 | |
| CHEMBL572878,Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 | |
| CHEMBL572881,CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21 | |
| CHEMBL575448,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1 | |
| CHEMBL598797,C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1 | |
| CHEMBL601719,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | |
| CHEMBL607707,CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C | |
| CHEMBL6246,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 | |
| CHEMBL6291,Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 | |
| CHEMBL635,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO | |
| CHEMBL65892,CN(C)Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1 | |
| CHEMBL671,S=P(N1CC1)(N1CC1)N1CC1 | |
| CHEMBL675,NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+] | |
| CHEMBL81977,NC(=O)c1cccc(N)c1 | |
| CHEMBL820,CS(=O)(=O)OCCCCOS(C)(=O)=O | |
| CHEMBL84617,CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2nnn(CC)c2=O)CC1 | |
| CHEMBL848,Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O | |
| CHEMBL86416,C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]12 | |
| CHEMBL93,CC(c1cc2ccccc2s1)N(O)C(N)=O | |
| CHEMBL94657,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 | |
| CHEMBL953,CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 | |
| CHEMBL964,CCN(CC)C(=S)SSC(=S)N(CC)CC | |
| CHEMBL975,O=S(=O)([O-])CCS.[Na+] | |
| CHEMBL99,CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1 | |