ID
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|---|---|
CHEMBL1276196 | Fc1cc(N2C[C@@H]3C[C@H]2CN3C2CCC2)cc(F)c1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12 |
CHEMBL3703934 | OC[C@H]1O[C@@H](c2cc(Cc3ccc(CN4CC4)cc3)c(Cl)c3c2CCO3)[C@H](O)[C@@H](O)[C@@H]1O |
CHEMBL1388898 | Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)n1 |
CHEMBL1991100 | O=P(O)(O)C(NCC(O)CN1CCOCC1)P(=O)(O)O |
CHEMBL4443001 | CCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3NCCOC)c2c1 |
CHEMBL3196292 | Cc1ccc(C(=O)N/N=C\c2cccc(OC(=O)c3cccc(F)c3)c2)cn1 |
CHEMBL4995108 | COc1ccc(=O)n(Cc2cc(C(C)(C)C)on2)n1 |
CHEMBL4087594 | O=C(Nc1ncc(Cl)s1)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
CHEMBL1187767 | Nc1cccc(C[C@H]2CNC[C@H]2NCCNCc2ccccc2)n1 |
CHEMBL4941265 | O=C([C@H]1CC12CCNCC2)N(Cc1ccccc1)Cc1ccccc1 |
CHEMBL3714921 | COc1cc(OCc2csc(N3CC[S+]([O-])CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 |
CHEMBL224346 | O=C([C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CN1)N1CCSC1 |
CHEMBL1992799 | Nc1ccccc1N/C=C\C(=O)C(Cl)(Cl)Cl |
CHEMBL4903753 | CC(=O)N[C@H]1C[C@@H](c2ccc(Cn3cccn3)cc2)O[C@@H](C(C)C)C1 |
CHEMBL1090714 | O=C(N[C@H](C/C=C/c1ccccc1)C(=O)O)c1ccc2ccccc2c1 |
CHEMBL4784603 | O=C(NC1CCN(C(=O)c2ccccc2F)CC1)NC12CC3CC(CC(C3)O1)C2 |
CHEMBL1877671 | CC(C)NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccccc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C |
CHEMBL90891 | Cn1cnc2c(Nc3nc4ccccc4s3)nc(Cl)nc21 |
CHEMBL4560967 | N=C(N)Nc1ccc(C(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 |
CHEMBL338469 | OC(CN1C2CCC1CC(c1ccccc1)C2)c1c(Cl)cccc1Cl |
CHEMBL376911 | CCOC(=O)C1CCN(c2cc(C(=N)N(C)C)ccc2C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)CC1 |
CHEMBL3347462 | COc1cc(Nc2nc3n(n2)C2(CC2)CC(=O)N3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1 |
CHEMBL5185157 | CC(O)c1ccc(OCC#Cc2ccc(N3C[C@H](CO)OC3=O)cc2F)cc1 |
CHEMBL4128042 | C[C@H](NC(=O)c1cc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc(C2(C)CC2)c1)C(F)(F)F |
CHEMBL1965576 | CCOC(=O)NC(=O)c1cn(CCCOC(=O)CCCCCCCCC(=O)OCCCn2cc(C(=O)NC(=O)OCC)c(=O)n(C)c2=O)c(=O)n(C)c1=O |
CHEMBL5002277 | O=C(NCC1CCCO1)C1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccco1 |
CHEMBL3667868 | Cc1ccccc1-c1cn(-c2cc(C(=O)O)ccn2)cc1C#N |
CHEMBL4915179 | COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)CN(C)C[C@@H]2c1nnc(C)o1 |
CHEMBL3959329 | CN(C)c1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1 |
CHEMBL3248481 | CN(C)C(=S)SSc1ccccc1C(=O)O |
CHEMBL1341240 | Cc1ccc(CNC(=O)C2CCC(=O)N2C(C)C)cc1 |
CHEMBL1507737 | C[C@]12CC(=O)CC1CCC1C2CC[C@@]2(C)C1CC[C@@H]2O |
CHEMBL5077972 | CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)NCC(=O)O |
CHEMBL348126 | CCCCCN(C(=O)NC)c1ccc2nc(CCCC)n(Cc3ccc(NC(=O)c4c(Cl)ccc(Cl)c4C(=O)O)cc3)c2c1 |
CHEMBL1320522 | COc1cc(CNc2ccc3[nH]c(O)nc3c2)ccc1OCc1ccc(C)cc1 |
CHEMBL4090379 | CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C\C1 |
CHEMBL3289317 | Cl.NCCCNCCCCNCCCNCC(=O)Nc1c2ccccc2cc2ccccc12 |
CHEMBL198668 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(=O)NCc2cccc(CNC(=O)C3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)c2)CC1 |
CHEMBL607614 | Nc1nc(OCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O |
CHEMBL76428 | CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 |
CHEMBL525484 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCN(CCNC(=O)c2cccc(Cl)c2)CC1.O=C(O)C(F)(F)F |
CHEMBL3494410 | CC(C)Oc1ccc(CNC(=O)CC(F)(F)F)cc1F |
CHEMBL3926780 | COc1ccc2[nH]cc(C(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)c2c1 |
CHEMBL4529816 | CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CF |
CHEMBL4542580 | CCCCOc1nc(N)c2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 |
CHEMBL2436695 | O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12 |
CHEMBL2283557 | C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCCCCCCCCCCCBr)CC[C@H]1C |
CHEMBL2401817 | C=CCC(Oc1c(N)ncc2c(-c3cnn(C4CCNCC4)c3)coc12)c1c(Cl)ccc(F)c1Cl |
CHEMBL97395 | O=C(CN1CCCCC1)Nc1cc(COC(=O)CCCCN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1 |
CHEMBL3970721 | Cc1noc(C)c1Cn1cc(N(C)C(=O)C(C)c2ccccc2)cn1 |
CHEMBL1242674 | COc1ccc(/C=C(/Sc2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)cc1 |
CHEMBL4928821 | CCc1noc([C@H](C)NC(=O)c2cc(Cl)cn2C)n1 |
CHEMBL3305049 | CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1OC(=O)CCCCCCC |
CHEMBL3503074 | CCCN1CC[C@@H]2OC[C@H](C(=O)Nc3cccnc3)C[C@@H]2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F |
CHEMBL1511880 | CCOC(=O)C1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)C1 |
CHEMBL3275159 | CC1(NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1.Cl |
CHEMBL1436588 | CC(=O)c1cccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c1 |
CHEMBL3691570 | CC(=O)N1C2CCC1CN(C(=O)c1ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc1)C2 |
CHEMBL4435522 | CCOc1cc(C)cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2F)c1 |
CHEMBL117494 | C=C1ON=C2N1C(C)=CSC2(O)c1ccc(Br)cc1 |
CHEMBL4174894 | CCOc1ccsc1CN[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C |
CHEMBL146173 | O=C1CCC(CCC(=O)OCc2ccccc2)N1 |
CHEMBL3561436 | COCCNC(=O)C1(C)CCN(C(=O)c2sc(-c3ccccc3)nc2C)C1 |
CHEMBL1522 | CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1 |
CHEMBL4893302 | CC(C)(C)C(=O)Nc1ccc(-c2ccc(OCCF)cn2)cn1 |
CHEMBL96648 | CCOC(=O)c1c(C(C)C)nc2cc(OC)c(OC)c(OC)c2c1-c1ccc(OC)c(OC)c1 |
CHEMBL3660920 | COc1cc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 |
CHEMBL2179473 | Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2 |
CHEMBL3358513 | O=C(NCCCCN1CCN(c2cnc3ccccc3c2)CC1)c1ccccc1 |
CHEMBL1257242 | CCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccccc1-2 |
CHEMBL1735617 | O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCc1ccco1 |
CHEMBL434003 | [O-][S+](c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)C(F)(F)C(F)F |
CHEMBL1202029 | O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCCCCc2ccccc2)CC1 |
CHEMBL3125864 | COc1cccc(Cc2cnc(NC(=O)c3ccco3)s2)c1 |
CHEMBL5021061 | O=C(NC[C@H](O)c1csc2ccccc12)c1ccsc1 |
CHEMBL4905092 | Cc1ccc(-c2cnc(N)cn2)c(-n2cccn2)c1 |
CHEMBL202821 | Cc1c(CCOc2ccc(C(=O)O)cc2)c2cc(N)ccc2n1C(c1ccccc1)c1ccccc1 |
CHEMBL378772 | O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 |
CHEMBL388698 | CCC(C)[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(N)=O |
CHEMBL4168328 | COc1cc(C2=NN(C(C)=O)C(c3cc(OC)c(OC)c(OC)c3)C2)ccc1OCc1cn(CCNc2ccnc3cc(Cl)ccc23)nn1 |
CHEMBL1872243 | Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)C(=O)Nc2ncc(Cl)cc2Cl)cc1 |
CHEMBL1552291 | CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12 |
CHEMBL4437953 | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCNC(=O)c1cccc(OC)c1 |
CHEMBL321819 | C[N+](C)(C)CC(Cn1cnc2c(O)nc(N)nc21)OCP(=O)(O)O |
CHEMBL1991726 | CCC(=O)c1cn(C)c(=O)c2ccccc12 |
CHEMBL504253 | CC(=O)[C@@]12SS[C@]3(C(=O)N1C)[C@@H](O)[C@]1([C@@]45c6ccccc6N[C@@H]4N4C(=O)[C@]6(C(C)O)SS[C@]4(C(=O)N6C)[C@H]5O)c4ccccc4N[C@@H]1N3C2=O |
CHEMBL4077772 | Cc1ccc(-c2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c2-c2ccc(C(F)(F)F)cc2)cc1 |
CHEMBL3273619 | Cc1cc(Nc2ccccc2C(=O)NCCCN(C)C)n(C)n1.Cl |
CHEMBL377460 | COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 |
CHEMBL2435780 | O=C(NCCCNCCCCNCCCNC(=O)c1ccccc1)c1ccccc1 |
CHEMBL4980860 | Cc1nocc1S(=O)(=O)N1CCC[C@H](c2nnc3ccccn23)C1 |
CHEMBL2140622 | O=C1NC(=O)C(C2CCCCCC2)C(=O)N1 |
CHEMBL110287 | COc1cc(C2=N[C@@H](C(=O)NO)CO2)cc(OC)c1OC |
CHEMBL1272035 | CCCCOc1c(OC)ccc2c(Cc3ccc(C(C)C)cc3)c3[n+](cc12)CCc1cc2c(cc1-3)OCO2.[Cl-] |
CHEMBL3896394 | O=C(Nc1ncnc2[nH]ncc12)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 |
CHEMBL4522790 | C=CC(=O)N1CC(NC(=O)Cn2cc(C(=O)N(C)Cc3ccccc3)c3cc(Br)ccc32)C1 |
CHEMBL1589457 | Cc1ccc(CSC(Nc2ccc(F)cc2)=C(C#N)C#N)cc1 |
CHEMBL1902725 | O=C(NC1CC2CCCC(C1)N2C(=S)Nc1ccc(Cl)cc1)C1CC1 |
CHEMBL1724581 | Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1c(C)noc1C |
CHEMBL4998688 | COc1cccc(-c2nc(Cn3ccn4nc(-c5cc(C)ccc5C)cc4c3=O)no2)c1 |