ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
20670 | CC(C)CCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.CC(C)CC4.C3(C)C.S35 |
20671 | CC(C)CCn1c(SCC(C)O)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][C][O][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.CC(C)CC4.C3C(C)O.S35 |
20672 | C=CCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C=CC4.C3(C)C.S35 |
20673 | C=CCn1c(SC(C)CC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][S][C][Branch1][C][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3(C)CC.C=CC4.S35 |
20674 | C=CCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3C(C)C.C=CC4.S35 |
20675 | C=CCn1c(SCC(C)O)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][C][O][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3C(C)O.C=CC4.S35 |
20676 | CC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(C)C | [C][C][=Branch1][C][=O][N][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][Branch1][C][C][C] | c19ccccc1.c18ccc(C)o1.C4C3=O.CC2=O.N247.N356.C7(C)C.C59.C68 |
20678 | Cc1ccc(OCC(=O)Nc2cccnc2)c(Br)c1 | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][C] | Cc1ccc5c(Br)c1.c16cccnc1.C4C3=O.O45.N36 |
20679 | Cc1cc(OCC(=O)Nc2cccnc2)ccc1Br | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][Br] | Cc1cc5ccc1Br.c16cccnc1.C4C3=O.O45.N36 |
20680 | COc1ccc(C(=O)Nc2ccncc2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc7cc15.c16ccncc1.C37=O.CO4.N36.O5C |
20681 | COc1cc(OC)cc(C(=O)Nc2ccncc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][P] | c14cc5cc7c1.c16ccncc1.C37=O.CO4.O5C.N36 |
20682 | Cc1ccc(OCC(=O)Nc2ccncc2)c(Br)c1 | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][C] | Cc1ccc5c(Br)c1.c16ccncc1.C4C3=O.O45.N36 |
20683 | Cc1nc(C)c(C(C)C)c(N2CCN(C(=O)c3ccco3)CC2)n1 | [C][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][#Branch1] | Cc1nc5c7c(C)n1.N15CCN4CC1.c16ccco1.C7(C)C.C46=O |
20684 | Cc1nc(C)c(C(C)C)c(N2CCN(C(=O)C3CCCC3)CC2)n1 | [C][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][#Branch1] | Cc1nc5c7c(C)n1.N15CCN4CC1.C16CCCC1.C7(C)C.C46=O |
20686 | CC1CCN(C(=O)CCN(C(=O)c2ccoc2)C2CC2)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch1] | CC1CCN3CC1.C3(=O)CC5.c17ccoc1.N456.C47=O.C16CC1 |
20687 | CC1(C)Cc2nc3sc4[nH]c(=O)[nH]c4c3cc2CO1 | [C][C][Branch1][C][C][C][C][=N][C][S][C][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][Ring1][=N][C][O][Ring2][Ring1][C] | CC1(C)Cc2nc3sc4[nH]c(=O)[nH]c4c3cc2CO1 |
20688 | Cc1cc(C(=O)N(CCC(=O)N2CCCCC2)C2CC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | Cc1cc7c(C)o1.N14CCCCC1.C5CC4=O.C37=O.N356.C16CC1 |
20689 | Cc1cc(C(=O)N(CCC(=O)N2CCOCC2)C2CC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | Cc1cc7c(C)o1.N14CCOCC1.C5CC4=O.C37=O.N356.C16CC1 |
20690 | O=C(NCCc1ccccn1)C1CCCCN1C(=O)c1ccoc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1] | C15CCCCN13.c17ccccn1.c16ccoc1.O=C25.C4C7.C36=O.N24 |
20691 | CC(C)CCNC(=O)C1CCCCN1C(=O)c1ccoc1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1] | C15CCCCN13.CC(C)CC4.c16ccoc1.C25=O.C36=O.N24 |
20692 | O=C(NC1CC1)C1CCCN(C(=O)c2ccoc2)C1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][=N] | C16CCCN4C1.c17ccoc1.O=C36.C15CC1.C47=O.N35 |
20693 | O=C(NCc1ccco1)C1CCCN(C(=O)c2ccoc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][=N] | C16CCCN4C1.c18ccco1.c17ccoc1.O=C36.C47=O.N35.C58 |
20694 | O=C(c1ccoc1)N1CCCC(C(=O)N2CCCC2)C1 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N] | N13CCCC5C1.c16ccoc1.N14CCCC1.O=C36.C45=O |
20696 | CC(=O)Nc1ccc(-c2nc3cc(NC(C)=O)cc(Cl)c3o2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][Branch1][C][Cl][=C][Ring1][O][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c18nc2cc7cc(Cl)c2o1.c16ccc8cc1.CC4=O.C5(C)=O.N46.N57 |
20698 | COC(=O)c1ccc(C(=O)OCc2nc3ccccc3[nH]2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c19nc2ccccc2[nH]1.c17ccc8cc1.C47=O.C58=O.CO4.O56.C69 |
20699 | O=C(CCNC(=O)c1ccoc1)NC1CCCCC1 | [O][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | C15CCCCC1.O=C2CC4.c16ccoc1.C36=O.N34.N25 |
20700 | O=C(CCNC(=O)c1ccoc1)Nc1ccccc1F | [O][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.O=C2CC4.c16ccoc1.C36=O.N34.N25 |
20703 | Cc1cc(C(=O)N2CCCCC2C(=O)NCC(C)C)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Branch1][C][C][O][Ring2][Ring1][Branch1] | Cc1cc7c(C)o1.N13CCCCC16.C5C(C)C.C37=O.C46=O.N45 |
20704 | CCC(C)NC(=O)C1CCCCN1C(=O)c1cc(C)oc1C | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C] | C15CCCCN13.c16cc(C)oc1C.CCC4C.C25=O.C36=O.N24 |
20706 | Cc1occc1C(=O)NCCC(=O)N1CCCC1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cc1occc15.C4CC3=O.N13CCCC1.C25=O.N24 |
20707 | CC(NC(=O)c1ccccc1)C(=O)NCc1ccco1 | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc1.CC4C3=O.c17ccco1.C26=O.N24.N35.C57 |
20708 | CC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccco1 | [C][C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | CC(C)C4C3=O.c16ccccc1.c17ccco1.C26=O.N24.N35.C57 |
20709 | COc1ccc(CNC(=O)CSc2nc(C)cc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c18nc(C)cc(C)n1.c14ccc7cc1.C3(=O)C6.CO4.C57.N35.S68 |
20710 | Cc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccccc1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc5nn14.c16ccccc1.C5(F)(F)F.C4C2=O.C3C6.N23 |
20711 | COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c14ccc6c5c1.n17nc8cc1C.C3(=O)C7.C8(F)(F)F.CO4.N36.O5C |
20712 | Nc1cc(N)cc(C(=O)Nc2nc3ccc(N)cc3s2)c1 | [N][C][=C][C][Branch1][C][N][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c15nc2ccc(N)cc2s1.Nc1cc6cc(N)c1.C46=O.N45 |
20714 | CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][C][C][Ring2][Ring1][Ring2] | c15nc2c(c(=O)[nH]c(=O)n2C)n16.N14CCN5CC1.CCC4=O.C6C |
20716 | CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc(F)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.CS4(=O)=O.C3C2=O.N345.C16CC1.N26 |
20717 | Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | S3(=O)(=O)c1ccc2c(c1)OCCO2.Cc1c4cccc1Cl.N34 |
20718 | CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccn1.c16ccccc1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
20719 | Cc1ccc(SCC(=O)NCc2ccco2)cc1 | [C][C][=C][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P] | Cc1ccc7cc1.c16ccco1.C5C3=O.S57.N34.C46 |
20721 | Cc1ccc(C)c(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1] | Cc1ccc(C)c7c1.c18ccccn1.C4C3=O.S6(C)(=O)=O.N467.N35.C58 |
20724 | Cc1ccc(C)c(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c6c1.N13CCCCCC1.C4C3=O.S5(C)(=O)=O.N456 |
20725 | COc1cccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | c14cccc7c1.N13CCCCCC1.C5C3=O.S6(C)(=O)=O.N567.CO4 |
20726 | Cc1ccccc1N(CC(=O)NC1CC1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.C3C2=O.S4(C)(=O)=O.N345.C16CC1.N26 |
20727 | CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccccc1F | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.c17ccncc1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
20728 | CCOc1ccc(N(CC(=O)NC2CC2)S(C)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | c15ccc8cc1.C6C3=O.S7(C)(=O)=O.N678.C19CC1.CC4.O45.N39 |
20729 | CS(=O)(=O)N(CC(=O)NC1CC1)c1cccc(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.CS4(=O)=O.C3C2=O.N345.C16CC1.N26 |
20730 | COc1ccc(Cl)cc1NC(=O)C1COc2ccccc2O1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C16COc2ccccc2O1.c14ccc(Cl)cc15.C36=O.CO4.N35 |
20732 | COc1ccc(CNC(=O)C(C)Sc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c18ccccc1.C3(=O)C6C.CO4.C57.N35.S68 |
20733 | COc1ccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.N13CCC(C)CC1.C5C3=O.S6(C)(=O)=O.N567.CO4 |
20735 | Cc1ccc(C)c(N(CC(=O)NC2CC2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c6c1.C4C3=O.S5(C)(=O)=O.N456.C17CC1.N37 |
20736 | Cc1ccc(CNC(=O)C2COc3ccccc3O2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | C16COc2ccccc2O1.Cc1ccc7cc1.C46=O.C57.N45 |
20737 | Cc1ccccc1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.N12CCC(C)CC1.C3C2=O.S4(C)(=O)=O.N345 |
20738 | Cc1ccc(SCC(=O)NCc2cccnc2)cc1 | [C][C][=C][C][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.c16cccnc1.C5C3=O.S57.N34.C46 |
20739 | COC(C(=O)Nc1ccc(F)cc1)c1ccccc1 | [C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(F)cc1.c15ccccc1.C35C2=O.CO3.N24 |
20740 | CCOc1ccc2c(c1)sc1nc(C(=O)OC)cc(=O)n12 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][N][Ring1][O][Ring1][#C] | c15ccc2c(c1)sc1nc6cc(=O)n12.C36=O.CC4.O45.O3C |
20741 | CCN(CCC(=O)NC1CCCCC1)C(=O)c1cc(C)oc1C | [C][C][N][Branch1][S][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C] | c17cc(C)oc1C.C16CCCCC1.C5CC2=O.N345.C37=O.CC4.N26 |
20742 | CCN(CCC(=O)N1CCC(C)CC1)C(=O)c1cc(C)oc1C | [C][C][N][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C] | N12CCC(C)CC1.c16cc(C)oc1C.C5CC2=O.N345.C36=O.CC4 |
20743 | CCN(CCC(=O)NC1CCCCC1)C(=O)c1ccoc1 | [C][C][N][Branch1][S][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1] | C16CCCCC1.C5CC2=O.c17ccoc1.N345.C37=O.CC4.N26 |
20744 | CCN(CCC(=O)N1CCCCC1)C(=O)c1ccoc1C | [C][C][N][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C] | N12CCCCC1.c16ccoc1C.C5CC2=O.N345.C36=O.CC4 |
20745 | CCN(CCC(=O)NC1CC1)C(=O)c1ccoc1C | [C][C][N][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C] | c17ccoc1C.C5CC2=O.N345.C16CC1.C37=O.CC4.N26 |
20746 | Cc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | Cc1ccccc14.c13ccc5cc1.C24=O.C5(N)=O.N23 |
20750 | CC(C)CNC(=O)C1CCCN(C(=O)c2cnccn2)C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][=C] | C17CCCN4C1.c16cnccn1.CC(C)C5.C37=O.C46=O.N35 |
20751 | O=C(c1cnccn1)N1CCCC(C(=O)N2CCCC2)C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N] | N13CCCC6C1.c15cnccn1.N14CCCC1.O=C35.C46=O |
20754 | CCCc1nnc(NC(=O)Nc2ccccc2)s1 | [C][C][C][C][=N][N][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C] | c17nnc5s1.c16ccccc1.CCC7.C34=O.N35.N46 |
20755 | O=C1CCCCC1C(O)(C(=O)c1ccccc1)c1ccccc1 | [O][=C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1CCCCC13.C34(O)C2=O.c12ccccc1.c14ccccc1 |
20756 | Cc1cc(C)c(NC(=O)Cn2nc(C)cc2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c4c(C)c1.n15nc(C)cc1C.C3(=O)C5.N34 |
20757 | CCN(CC)C(=O)c1ccc2nc(NC(C)=O)sc2c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][Ring1][=Branch2][=C][Ring1][=N] | c18ccc2nc7sc2c1.N356.C38=O.C4(C)=O.CC5.C6C.N47 |
20758 | CC(=O)Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][S][Ring1][P] | c16nc2ccc7cc2s1.N15CCCCC1.CC4=O.C57=O.N46 |
20760 | CC(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][#C] | c15ccc6c(Cl)c1.c17cccs1.CC3=O.C47=O.N35.N46 |
20761 | N#Cc1cc(Br)c(C#N)cc1Br | [N][#C][C][=C][C][Branch1][C][Br][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=Branch2][Br] | N#Cc1cc(Br)c(C#N)cc1Br |
20763 | COC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c17nc2ccc6cc2s1.C3(=O)C5.C4(C)=O.CO3.S57.N46 |
20764 | CC(=O)Nc1ccc2nc(SCC(=O)NC(C)(C)C)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][S][C][Ring1][=C][=C][Ring2][Ring1][C] | c17ccc2nc8sc2c1.C6C4=O.C5(C)(C)C.CC3=O.N37.S68.N45 |
20766 | COc1ccc(C(=O)Nc2cc(C)c(C)cc2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][C] | c15cc(C)c(C)cc1O.c14ccc6cc1.C36=O.CO4.N35 |
20767 | Cc1cc(O)c(NC(=O)c2ccc3c(c2)OCCO3)cc1C | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][C] | c16ccc2c(c1)OCCO2.Cc1cc(O)c5cc1C.C46=O.N45 |
20769 | CCc1ccc2oc(-c3ccc(N)cc3O)nc2c1 | [C][C][C][=C][C][=C][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][=N][C][Ring1][=N][=C][Ring1][P] | c14ccc2oc5nc2c1.c15ccc(N)cc1O.CC4 |
20771 | Cc1nc(C)c(Br)cc1Br | [C][C][=N][C][Branch1][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Br] | Cc1nc(C)c(Br)cc1Br |
20772 | Cc1cc(N)c(Br)cc1Br | [C][C][=C][C][Branch1][C][N][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Br] | Cc1cc(N)c(Br)cc1Br |
20773 | CCOc1c(Br)cncc1Br | [C][C][O][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br] | c13c(Br)cncc1Br.CC2.O23 |
20774 | Brc1cnc2cccnc2c1Br | [Br][C][=C][N][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br] | Brc1cnc2cccnc2c1Br |
20775 | COC(=O)c1c(Br)cccc1Br | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][Br] | c13c(Br)cccc1Br.C23=O.CO2 |
20776 | CC1(C)Cc2nc3sc4c(N5CCCC5)nnnc4c3cc2CO1 | [C][C][Branch1][C][C][C][C][=N][C][S][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=N][N][=C][Ring1][O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][C][O][Ring2][Ring1][#Branch1] | CC1(C)Cc2nc3sc4c6nnnc4c3cc2CO1.N16CCCC1 |
20777 | Cc1nc(C)c(Br)c(C)c1Br | [C][C][=N][C][Branch1][C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][=Branch2][Br] | Cc1nc(C)c(Br)c(C)c1Br |
20778 | COc1ccc(-n2nnnc2SCC2CC2)cc1 | [C][O][C][=C][C][=C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][C][C][Ring1][Ring1][C][=C][Ring1][S] | c13ccc6cc1.n16nnnc17.C15CC1.CO3.S47.C45 |
20779 | C=CCn1c(-c2nonc2NC(=O)CC)nc2ccccc21 | [C][=C][C][N][C][Branch1][#C][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n15c6nc2ccccc21.c16nonc14.C3(=O)CC.C=CC5.N34 |
20780 | COc1ccc(-n2nnnc2SC(C)C)cc1 | [C][O][C][=C][C][=C][Branch1][=C][N][N][=N][N][=C][Ring1][Branch1][S][C][Branch1][C][C][C][C][=C][Ring1][#C] | c13ccc5cc1.n15nnnc16.C4(C)C.CO3.S46 |
20781 | Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] | Cc1cc(C)c5c(C)c1.c17ccc(F)cc1.n16nnc7n1.C4(=O)C6.N45 |
20782 | NC(=O)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n14.c16cccc(F)c1.c14ccccc1.NC(=O)C3.S35 |
20783 | O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c14ccc(Cl)cc1.c15nnnn14.N12CCCCC1.O=C2C3.S35 |
20784 | O=C(CSc1nnnn1-c1ccc(F)cc1)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c14ccc(F)cc1.c15nnnn14.N12CCCCC1.O=C2C3.S35 |
20785 | COc1ccc(Cc2noc(-c3ccc(F)cc3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc7cc15.c18ccc(F)cc1.c16noc8n1.CO4.C67.O5C |
20786 | CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 | [C][C][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][O][Ring1][P] | c17cc3c4c5c1.c16nc7no1.CC6.O3C.O4C.O5C |
20787 | CCOc1nc(OCC)c(Br)c(OCC)n1 | [C][C][O][C][=N][C][Branch1][Ring2][O][C][C][=C][Branch1][C][Br][C][Branch1][Ring2][O][C][C][=N][Ring1][=N] | c15nc6c(Br)c7n1.CC2.O25.O36.C3C.O47.C4C |
20788 | CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(F)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N12CCCCCC1.c15ccc(F)cc1.CS4(=O)=O.C3C2=O.N345 |
20789 | Cc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc7cc1C.c18cccnc1.C4C3=O.S6(C)(=O)=O.N467.N35.C58 |
20790 | Cc1cccc(C)c1N(CC(=O)NC1CC1)S(C)(=O)=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cccc(C)c15.C3C2=O.S4(C)(=O)=O.N345.C16CC1.N26 |
20793 | O=S(=O)(NCc1ccncc1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S4(=O)c1ccc2c(c1)OCCO2.c15ccncc1.N34.C35 |
20794 | O=C(CSc1ccccc1)NCc1ccccn1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccccc1.c15ccccn1.O=C2C4.S46.N23.C35 |
20796 | Cn1cnnc1SCC(=O)Nc1ccc2c(c1)CCC2 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | c15ccc2c(c1)CCC2.Cn1cnnc16.C4C3=O.S46.N35 |
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