ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
17578 | Cc1cc(C)c(NC(=O)CSc2cccc3cccnc23)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c17cccc2cccnc12.Cc1cc(C)c6c(C)c1.C4(=O)C5.N46.S57 |
17579 | O=S(=O)(Nc1cccnc1)c1ccc(Oc2ccccc2)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | O=S5(=O)c1ccc3cc1.c16cccnc1.c14ccccc1.N56.O34 |
17583 | CCOc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][O][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c16nc(C)cc(C)n1.c14ccc7cc1.n17c(O)cnc15.CC3.O34.N56 |
17584 | O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1F | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc1F.n15nnc6n1.c16ccccc1.O=C3C5.N34 |
17585 | CC(C)(C)c1ccc(S(=O)(=O)CCc2ccccn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc(S(=O)(=O)CC3)cc1.c13ccccn1.CC4(C)C |
17586 | N#CC(Cc1cccnc1)C(=O)Nc1cc(Cl)ccc1Cl | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c13cc(Cl)ccc1Cl.N#CC(C4)C2=O.c14cccnc1.N23 |
17587 | Cc1cc(=O)oc2cc(OCC(=O)NCC3CCCO3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][P] | Cc1cc(=O)oc2cc6ccc12.C18CCCO1.C5C4=O.O56.N47.C78 |
17590 | CCOC(=O)CSc1nnc2c(n1)[nH]c1ccc(OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring1][N] | c17nnc2c(n1)[nH]c1ccc5cc12.C3(=O)C6.CC4.O34.S67.O5C |
17592 | CC(NC(=O)CCc1ccccc1)c1ccc2c(c1)OCCO2 | [C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c16ccccc1.C3(=O)CC6.CC45.N34 |
17593 | CC(NC(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 | [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15ccccc1F.CC46.C35=O.N34 |
17594 | CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCN3CC1.CCCS4(=O)=O.c15ccccc1.C35=O |
17595 | CCCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15ccc(F)cc1.CCCS4(=O)=O.C35=O |
17596 | CCCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15ccc(Cl)cc1.CCCS4(=O)=O.C35=O |
17597 | CCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | N14CCN3CC1.CCCS4(=O)=O.c15ccco1.C35=O |
17598 | CCCS(=O)(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N16CCN3CC1.c15cccc(C)c1.CCCS6(=O)=O.C3(=O)C4.O45 |
17599 | CCCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N14CCN3CC1.CCCS4(=O)=O.c15cccs1.C35=O |
17600 | c1ccc(-n2nnnc2Sc2ccncc2)cc1 | [C][=C][C][=C][Branch1][P][N][N][=N][N][=C][Ring1][Branch1][S][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c1ccc3cc1.n13nnnc14.c15ccncc1.S45 |
17601 | CCCS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c16cccc2ccccc12.N15CCN4CC1.CCCS5(=O)=O.C46=O |
17603 | CS(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C] | N14CCN3CC1.c15ccccc1Cl.CS4(=O)=O.C35=O |
17604 | CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15ccc(Cl)cc1.CS4(=O)=O.C35=O |
17605 | Cc1ccc2ccc(NC(=O)c3ccccc3F)cc2n1 | [C][C][=C][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2ccc5cc2n1.c16ccccc1F.C46=O.N45 |
17606 | Cc1nn(C(=O)c2nn(C)cc2Cl)c(C)c1Br | [C][C][=N][N][Branch1][S][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][C][=C][Ring1][#C][Br] | Cc1nn(C3=O)c(C)c1Br.c13nn(C)cc1Cl |
17607 | Cc1nn(C(=O)c2ccnn2C)c(C)c1Br | [C][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][Branch1][C][C][=C][Ring1][=C][Br] | Cc1nn(C3=O)c(C)c1Br.c13ccnn1C |
17608 | Cc1cc(C)n2nc(C(=O)Nc3ccc(Cl)cc3)cc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n2nc6cc2n1.c15ccc(Cl)cc1.C46=O.N45 |
17611 | CC(C)(C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(C)(=O)=O)cc2s1.CC(C)(C)C3=O.N34 |
17612 | O=C(CCc1ccccc1)Nc1nnc(C(F)(F)F)s1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c15ccccc1.c13nnc4s1.O=C2CC5.C4(F)(F)F.N23 |
17613 | CC(C)(C)CC(=O)Nc1nnc(C(F)(F)F)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | CC(C)(C)CC2=O.c13nnc4s1.C4(F)(F)F.N23 |
17614 | CCC(C)(C)C(=O)Nc1nnc(CC(C)C)s1 | [C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2] | CCC(C)(C)C2=O.c13nnc4s1.C4C(C)C.N23 |
17615 | CC(C)Cc1nnc(NC(=O)C2CCCCC2)s1 | [C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][=C] | c16nnc4s1.C15CCCCC1.CC(C)C6.C35=O.N34 |
17616 | COCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][=C] | c18ccc5cc1.c16nnc7s1.C4C3=O.CO4.N36.C78.O5C |
17617 | COc1cccc(OC)c1C(=O)Nc1nc2c(s1)CCCC2 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c16nc2c(s1)CCCC2.c14cccc5c17.C37=O.CO4.O5C.N36 |
17618 | COc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][=C][Ring2][Ring1][Ring2] | c15cccc7c1.c16nnc8s1.C18CCCCC1.C47=O.CO5.N46 |
17619 | CC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c16nc2c(s1)CCCC2.c17ccc8cc1.CC4=O.C58=O.N47.N56 |
17620 | CC(=O)Nc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c17ccc8cc1.c16nnc9s1.C19CCCCC1.CC4=O.C58=O.N47.N56 |
17621 | Cc1nc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)cs1 | [C][C][=N][C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][=C][S][Ring2][Ring1][Branch1] | c17cccc5c1.c16ccc(F)cc1.Cc1nc7cs1.C46=O.N45 |
17622 | O=C(COC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(O)cc1O.c14ccc(Cl)cc1.O=C4C3.C25=O.O23 |
17623 | CN(C)C(=O)CSc1nnnn1-c1cccc2ccccc12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.c16nnnn15.C3(=O)C4.CN3C.S46 |
17624 | Cn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21 | [C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][C] | Cn1c(=O)oc2cc4ccc21.c15ccccc1.C45=O |
17626 | c1ccc(C2CC(c3ccco3)n3cnnc3N2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][=N][N][=C][Ring1][Branch1][N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | C14CC(c2ccco2)n2cnnc2N1.c1ccc4cc1 |
17627 | Cc1ccc(C)c(C(=O)COC(=O)c2cnccn2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c6c1.c15cnccn1.C6(=O)C4.C35=O.O34 |
17628 | CC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc(S5(=O)=O)cc1.N15CCCCC1.CC3=O.C4C6.N34 |
17629 | CC(C)(C)c1ccc(COC(=O)c2nonc2N)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][N][C][=C][Ring1][S] | c16ccc7cc1.c15nonc1N.CC6(C)C.C35=O.C47.O34 |
17630 | Cc1cc(C)n2c(c1)nc1c2c(=O)n(C)c(=O)n1C | [C][C][C][=C][Branch1][C][C][N][C][Branch1][Ring2][C][=Ring1][#Branch1][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | Cc1cc(C)n2c(c1)nc1c2c(=O)n(C)c(=O)n1C |
17631 | CC1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][C][C][Ring1][P] | c14cc(F)c(F)cc1Cl.CC1CCN3CC1.C34=O |
17633 | Cc1nc2n(CC(=O)c3ccc(Cl)cc3)c3ccccc3n2n1 | [C][C][N][=C][N][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][N][=Ring2][Ring1][=Branch1] | Cc1nc2n5c3ccccc3n2n1.c14ccc(Cl)cc1.C5C4=O |
17634 | Cc1ccc(C(=O)Cn2c3ccccc3n3nc(C)nc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][N][=C][Ring1][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | n15c2ccccc2n2nc(C)nc12.Cc1ccc4cc1.C4(=O)C5 |
17635 | Cc1nc2n(CC(=O)c3cccs3)c3ccccc3n2n1 | [C][C][N][=C][N][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][N][=Ring2][Ring1][Ring2] | Cc1nc2n5c3ccccc3n2n1.c14cccs1.C5C4=O |
17636 | O=C(Cn1c2ccccc2n2ncnc12)c1cccs1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][N][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | n14c2ccccc2n2ncnc12.c13cccs1.O=C3C4 |
17637 | Cc1nn2c3ccccc3n(CC(=O)c3cccs3)c2nc1=O | [C][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][P][=N][C][Ring2][Ring1][Branch1][=O] | Cc1nn2c3ccccc3n5c2nc1=O.c14cccs1.C5C4=O |
17638 | CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc16.CC(C)(C)C2=O.c17ccco1.C36=O.N25.N34.C47 |
17639 | CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccccn1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccccc16.CC(C)(C)C2=O.c14ccccn1.C36=O.N25.N34 |
17640 | Cc1cccnc1NC(=O)c1ccccc1NC(=O)C(C)(C)C | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | Cc1cccnc14.c16ccccc15.C3(=O)C(C)(C)C.C26=O.N24.N35 |
17641 | Cc1ccnc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccnc5c1.c17ccccc16.C4(=O)C(C)(C)C.C37=O.N35.N46 |
17642 | CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccnc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc16.CC(C)(C)C2=O.c15cccnc1.C36=O.N24.N35 |
17644 | CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][C][C][Ring1][P] | S5(=O)(=O)c1ccc7cc1.C16CCN5CC1.C36=O.CC4.O34.C7C |
17646 | CC1(C)CC2CC(C)(CN2C(=O)c2ccc(N)cc2)C1 | [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch2][Ring1][Ring2][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1] | CC1(C)CC2CC(C)(CN23)C1.c14ccc(N)cc1.C34=O |
17647 | O=c1cc[nH]c2cc(N3CCCCCC3)c(F)cc12 | [O][=C][C][=C][NH1][C][=C][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][F][C][=C][Ring2][Ring1][C][Ring1][=C] | O=c1cc[nH]c2cc4c(F)cc12.N14CCCCCC1 |
17648 | CC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c14ccc2c(c1)ncn25.C15CCCCC1.CC3=O.N34 |
17649 | CCn1cnc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 | [C][C][N][C][=N][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2] | n16cnc2cc5ccc21.S4(=O)(=O)c1ccc(C)cc1.CC6.N45 |
17651 | Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Branch1][Cl] | Cc1ccc5cc1Cl.n16nnc7n1.c17ccccc1.C4(=O)C6.N45 |
17652 | Cc1sc(NC(=O)c2c(F)cccc2F)c(C(N)=O)c1C | [C][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring1][C] | Cc1sc4c6c1C.c15c(F)cccc1F.C35=O.C6(N)=O.N34 |
17653 | O=C(c1ccccc1S(=O)(=O)NCc1ccccc1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c15ccccc1S4(=O)=O.c16ccccc1.N12CCCC1.O=C25.N34.C36 |
17655 | CC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][Ring1][S] | c16sc2c(c17)CCCC2.c18ccco1.CC3=O.C47=O.N36.N45.C58 |
17656 | O=C(OCn1cncn1)c1ccc(Cl)cc1Cl | [O][=C][Branch1][#Branch2][O][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c13ccc(Cl)cc1Cl.n14cncn1.O=C23.O2C4 |
17657 | CC(=O)Oc1ccc(C(=O)Nc2ccncc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c16ccncc1.CC3=O.C47=O.O35.N46 |
17658 | c1ccc(OCc2nc(-c3cccnc3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c1ccc5cc1.c16nc7no1.c17cccnc1.O45.C46 |
17659 | CCOC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][N][Ring1][=N][N][=Ring1][S] | c16cc2nc7cc(C)n2n1.c17ccccc1.C46=O.CC5.O45 |
17661 | COC(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 | [C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16ccccc1.C46C3=O.CO4.N35 |
17662 | COC(=O)C1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][Ring1] | C17CC(=O)N8C1.c18ccc5cc1.c16ccccc1.C47=O.CO4.O56 |
17663 | CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c18nc9n[nH]1.c19ccco1.C7(=O)C5.CC4=O.N46.S58 |
17665 | COc1cc(CNC(=O)C2CCCC2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc9cc5c16.C18CCCC1.C38=O.CO4.C79.N37.O5C.O6C |
17666 | Cc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][Ring1][O][C][=C][Ring1][P] | Cc1ccc7cc1.c17csc5n1.C46=O.C16CC1.N45 |
17667 | CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1cccc(O)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C3(=O)C1=C(c2ccccc2)NC(=O)NC15.c15cccc(O)c1.CC4.O34 |
17668 | O=C(COC(=O)c1cccs1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15cccs1.O=C6C4.C35=O.O34 |
17669 | CCOc1ccc(C(=O)c2nc3c(n2O)CCCC3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][N][Ring1][Branch1][O][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c16nc2c(n1O)CCCC2.c15ccc7cc1.C67=O.CC4.O45 |
17670 | CN(CCO)c1nc(-c2ccccc2F)nc2ccccc12 | [C][N][Branch1][Ring2][C][C][O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c14nc5nc2ccccc12.c15ccccc1F.CN34.C3CO |
17671 | Cc1ccc(C)c(N2C(N)=NC(N)=NC23CCCCC3)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][C][Ring1][Branch2][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | N14C(N)=NC(N)=NC12CCCCC2.Cc1ccc(C)c4c1 |
17672 | Cc1cc(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c(S3(=O)=O)c(C)c1.N13CCC4CC1.C4(N)=O |
17673 | O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1] | c14ccc3cc1.O3C(F)(F)F.c15ccco1.O=C25.N24 |
17674 | CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S] | N14CCC6CC1.c15ccc(C)cc1.CCS4(=O)=O.C36=O.N35 |
17675 | CN1C(=O)C(=c2sc3n(c2=O)CCCN=3)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][=Branch1][P][=C][S][C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][C][C][N][=Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CN1C(=O)C(=c2sc3n(c2=O)CCCN=3)c2ccccc21 |
17676 | CC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN12 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][C][=C][C][=C][N][Ring2][Ring1][C][Ring1][=Branch1] | CC1=NC34N=C2C=CC=CN12.C3(F)(F)F.C4(F)(F)F |
17677 | O=C(CSc1nnnn1-c1ccccc1)C1CC1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c15nnnn14.c14ccccc1.O=C3C2.C13CC1.S25 |
17678 | COc1ccccc1NC(=O)c1c(C)oc2c1CCCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1] | c16c(C)oc2c1CCCC2.c14ccccc15.C36=O.CO4.N35 |
17679 | CSc1ccc(S(=O)(=O)NCc2cccnc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc(S4(=O)=O)cc1.c15cccnc1.CS6.N34.C35 |
17680 | COc1ccc2cc(S(=O)(=O)NCc3cccnc3)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c14ccc2cc(S6(=O)=O)ccc2c1.c17cccnc1.CO4.N56.C57 |
17681 | CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1ccco1 | [C][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c13nn6cc15.c16cccc(Cl)c1.c14ccco1.CC3=O.C45=O |
17682 | O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(C(F)(F)F)cc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c14ccc2c(c1)C(=O)OC2.c15ccc6cc1.C6(F)(F)F.O=C35.N34 |
17683 | O=C1CN(c2nc(-c3ccc(Cl)cc3)cs2)CCN1 | [O][=C][C][N][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][C][N][Ring2][Ring1][C] | O=C1CN4CCN1.c15ccc(Cl)cc1.c14nc5cs1 |
17684 | N#Cc1ccc(C2C=C(c3ccccc3)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][S][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | N#Cc1ccc(C2C=C(c3ccccc3)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 |
17685 | CCc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1 | [C][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] | c18ccc7cc1.c19cccnc1.C4C3=O.S6(C)(=O)=O.N467.CC8.N35.C59 |
17686 | CCc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c18ccc6cc1.c17cccnc1.C4C3=O.S5(C)(=O)=O.N456.CC8.N37 |
17687 | NC(=O)C1CCN(C(=O)C2COc3ccccc3O2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][C][Ring2][Ring1][C] | C15COc2ccccc2O1.C16CCN4CC1.NC6=O.C45=O |
17688 | CCc1ccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | c18ccc7cc1.c19ccncc1.C4C3=O.S6(C)(=O)=O.N467.CC8.N35.C59 |
17689 | CCc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1 | [C][C][C][=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][=C][Ring2][Ring1][=Branch1] | c19ccc7cc1.c18ccccn1.C4C3=O.S6(C)(=O)=O.N467.CC9.N35.C58 |
17690 | CCc1ccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 | [C][C][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] | c17ccc6cc1.N13CCC(C)CC1.C4C3=O.S5(C)(=O)=O.N456.CC7 |
17692 | NC(=O)C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C] | C15CCN3CC1.c16ccc(Cl)cc1.C3(=O)CC4.NC5=O.S46 |
17693 | Cc1cccc(-n2c(N)c(Br)c(=O)[nH]c2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][Branch1][C][N][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][C][Ring1][=Branch2][=O][=C][Ring1][S] | n13c(N)c(Br)c(=O)[nH]c1=O.Cc1cccc3c1 |
17694 | O=S(=O)(c1ccc(F)c2ccccc12)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | O=S3(=O)c1ccc(F)c2ccccc12.N13CCCCC1 |
17695 | CCC(=O)Oc1ccc2c(c1)OC1(OC(C)=O)OC(C)CC1=C2C | [C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][C][C][Ring1][#Branch2][=C][Ring1][#C][C] | c16ccc2c(c1)OC15OC(C)CC1=C2C.CCC3=O.C4(C)=O.O36.O45 |
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