ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
44576 | Cn1c2ccc(F)cc2c2nnc(SCC(N)=O)nc21 | [C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][Ring1][O][Ring2][Ring1][Ring1] | Cn1c2ccc(F)cc2c2nnc4nc21.C3C(N)=O.S34 |
44577 | CC(C)NC(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring1][O][=N][Ring1][#C] | c17nnc2c3cc(F)ccc3n(C)c2n1.C4(=O)C6.CC5C.N45.S67 |
44578 | Cn1c2ccc(F)cc2c2nnc(SCC(=O)NC(C)(C)C)nc21 | [C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][#C][Ring2][Ring1][#Branch1] | Cn1c2ccc(F)cc2c2nnc6nc21.C5C3=O.C4(C)(C)C.S56.N34 |
44579 | CCC(=O)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)CC1CCCO1 | [C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O][C][C][C][C][C][O][Ring1][Branch1] | c17cc2c(C)ccc(C)c2[nH]c1=O.C16CCCO1.CCC3=O.N345.C47.C56 |
44580 | COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(C)=O)cc2c1 | [C][O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][=O][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2[nH]c(=O)c9cc2c1.c18ccco1.N467.C4(C)=O.CO5.C69.C78 |
44581 | Cc1cc(C)n(-c2nnc(SCC(N)=O)c3ccccc23)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] | c15nnc6c2ccccc12.Cc1cc(C)n5n1.C4C(N)=O.S46 |
44582 | CNC(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc12 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c16nnc5c2ccccc12.n15nc(C)cc1C.C3(=O)C4.CN3.S46 |
44583 | Cc1cccc2cc(CN(Cc3ccco3)C(=O)N(C)C)c(=O)[nH]c12 | [C][C][=C][C][=C][C][C][=C][Branch2][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Branch2][=Ring2][Ring1][Ring2] | Cc1cccc2cc9c(=O)[nH]c12.c18ccco1.N467.C45=O.N5(C)C.C69.C78 |
44584 | CC(=O)N(Cc1cccnc1)Cc1cc2cc(C)ccc2n2nnnc12 | [C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][N][=N][N][=C][Ring1][=C][Ring1][Branch1] | c17cc2cc(C)ccc2n2nnnc12.c16cccnc1.CC3=O.N345.C46.C57 |
44585 | CC(=O)N(Cc1cc2ccc(C)cc2n2nnnc12)CC1CCCO1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][N][=N][N][=C][Ring1][=C][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c17cc2ccc(C)cc2n2nnnc12.C16CCCO1.CC3=O.N345.C47.C56 |
44586 | CSc1ccc(NC(=O)N2CCCC(O)C2)cc1 | [C][S][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc5cc1.N14CCCC(O)C1.C34=O.CS6.N35 |
44590 | O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnccn1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13cc5ccc1F.c14cnccn1.C5(F)(F)F.O=C24.N23 |
44592 | O=C(NCC(c1ccccc1)c1ccccc1)c1cnccn1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15ccccc1.c16ccccc1.c14cnccn1.C3C56.O=C24.N23 |
44593 | Cc1cnc(C(=O)Nc2ccc3c(c2)CCC3)cn1 | [C][C][=C][N][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][C] | c15ccc2c(c1)CCC2.Cc1cnc6cn1.C46=O.N45 |
44595 | CSc1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | N15CCC2(CC1)OCCO2.c17ccc6cc1.C45=O.CS7.N46 |
44596 | CCOc1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | N15CCC2(CC1)OCCO2.c17ccc8cc1.C45=O.CC6.O67.N48 |
44597 | O=C(NC1CCCc2ccccc21)c1cccc2nccnc12 | [O][=C][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | N3C1CCCc2ccccc21.c14cccc2nccnc12.O=C34 |
44598 | Cc1ccccc1NC(=O)c1cccc2nccnc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2nccnc12.Cc1ccccc14.C35=O.N34 |
44599 | O=C(NCCc1ccccc1)c1cccc2nccnc12 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2nccnc12.c16ccccc1.O=C35.C4C6.N34 |
44600 | N#Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | N#Cc1ccc(S4(=O)=O)cc1.c15ccncc1.C3C5.N34 |
44601 | COc1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][Ring1][P][Cl] | c13ccc(S4(=O)=O)cc1Cl.N14C(C)CCCC1C.CO3 |
44602 | Cc1sc2nc(SCC(=O)NC(C)(C)C)[nH]c(=O)c2c1C | [C][C][S][C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][S][C][=Ring2][Ring1][Ring1][C] | Cc1sc2nc6[nH]c(=O)c2c1C.C5C3=O.C4(C)(C)C.S56.N34 |
44603 | CC1CCCC(C)N1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | S2(=O)(=O)c1ccc(S(N)(=O)=O)cc1.CC1CCCC(C)N12 |
44604 | O=C(NCc1cccs1)c1cccc2nccnc12 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2nccnc12.c16cccs1.O=C35.N34.C46 |
44605 | O=C(Nc1ccc(F)cc1F)c1cccc2nccnc12 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2nccnc12.c14ccc(F)cc1F.O=C35.N34 |
44606 | Cc1ccc(F)cc1NC(=O)c1cccc2nccnc12 | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2nccnc12.Cc1ccc(F)cc14.C35=O.N34 |
44607 | O=C(Nc1cccc(F)c1)N1CC2CC(C1)c1cccc(=O)n1C2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] | N14CC2CC(C1)c1cccc(=O)n1C2.c15cccc(F)c1.O=C34.N35 |
44608 | Cc1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.c16cccc8c1.n18cnnn1.C46=O.C57.N45 |
44609 | CC(C)NC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | c16nnc2n1C(C)(C)Cc1ccccc1-2.C3(=O)C5.CC4C.N34.S56 |
44610 | Cc1cc(NCc2ccc(Cl)cc2)n2ncnc2n1 | [C][C][C][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=C][N][=C][Ring1][Branch1][N][=Ring2][Ring1][C] | Cc1cc4n2ncnc2n1.c15ccc(Cl)cc1.N34.C35 |
44611 | CCn1c(N2CCN(S(C)(=O)=O)CC2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n15c4nc2ccccc21.N14CCN3CC1.S3(C)(=O)=O.CC5 |
44612 | Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2)CC1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | Cc1nc2ccccc2n16.C16CCN3CC1.c15ccccc1.C34=O.N45 |
44613 | CCC(=O)Nc1nnc(SCC(=O)N(C(C)C)C(C)C)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][S][Ring1][S] | c17nnc8s1.CCC2=O.C6C3=O.N345.C4(C)C.C5(C)C.N27.S68 |
44614 | CC(C)C(=O)Nc1nnc(SCC(=O)N(C(C)C)C(C)C)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][S][Ring1][S] | c17nnc8s1.CC(C)C2=O.C6C3=O.N345.C4(C)C.C5(C)C.N27.S68 |
44615 | CC(C)N(C(=O)CSc1nnc(NC(=O)C2CC2)s1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][Ring1][O][C][Branch1][C][C][C] | c1%10nnc8s1.C3(=O)C7.CC5C.N356.C49=O.C19CC1.C6(C)C.S7%10.N48 |
44616 | CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][P] | c17ccc(F)cc1.c16nnc8s1.CCC3=O.C5C4=O.N36.S58.N47 |
44617 | COc1ccccc1NC(=O)CSc1nnc(NC(C)=O)s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][Ring1][=Branch2] | c14ccccc17.c18nnc6s1.C2(=O)C5.C3(C)=O.CO4.N27.S58.N36 |
44618 | CC(C)C(=O)Nc1nnc(SCC(=O)NC2CC2)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Ring1][=N] | c16nnc8s1.CC(C)C3=O.C5C4=O.C17CC1.N36.S58.N47 |
44619 | O=C(CSc1nnc(NC(=O)C2CCC2)s1)NC1CC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][S][Ring1][N][N][C][C][C][Ring1][Ring1] | c19nnc6s1.O=C3C5.C18CCC1.C48=O.C17CC1.S59.N46.N37 |
44622 | CCC(=O)Nc1nnc(SCC(=O)NC2CC2)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Ring1][=N] | c16nnc8s1.CCC3=O.C5C4=O.C17CC1.N36.S58.N47 |
44623 | CCCC(=O)Nc1nnc(SCC(=O)NC2CC2)s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Ring1][=N] | c16nnc8s1.CCCC3=O.C5C4=O.C17CC1.N36.S58.N47 |
44624 | Cc1nc2ccccc2c(=O)n1CC(=O)NC(C)(C)C | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | Cc1nc2ccccc2c(=O)n15.C5C3=O.C4(C)(C)C.N34 |
44625 | Cc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1nc2ccccc2c(=O)n13.c14ccc(F)cc1.C34 |
44626 | CC(C)OC(=O)Cn1c(C2CC2)nc2ccccc2c1=O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | n15c6nc2ccccc2c1=O.C3(=O)C5.CC4C.C16CC1.O34 |
44627 | CC(C)NC(=O)Cn1c(C(C)C)nc2ccccc2c1=O | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | n15c6nc2ccccc2c1=O.C3(=O)C5.CC4C.C6(C)C.N34 |
44628 | CC(C)c1nc2ccccc2c(=O)n1CC(=O)NC1CCCCC1 | [C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c16nc2ccccc2c(=O)n15.C14CCCCC1.C5C3=O.CC6C.N34 |
44631 | c1ccc(-c2nnc(CSc3ncccn3)o2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][N][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c1ccc7cc1.c17nnc5o1.c16ncccn1.C45.S46 |
44633 | Cc1ccc(-c2csc(NCC3CCCO3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.c17csc5n1.C16CCCO1.N45.C46 |
44634 | Nc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] | Nc1ccc6cc1.c15ccccc1F.c16nnn4n1.C45 |
44635 | Nc1ccc(-c2nnn(Cc3ccccc3)n2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][C][=C][Ring2][Ring1][C] | Nc1ccc6cc1.c16nnn4n1.c15ccccc1.C45 |
44636 | CC1CCN(C(=O)Cn2nnc(-c3ccc(N)cc3)n2)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring1][N][C][C][Ring2][Ring1][Branch1] | CC1CCN4CC1.c16ccc(N)cc1.n15nnc6n1.C4(=O)C5 |
44637 | CC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccc(N)cc2)n1 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring1][N] | CC1Cc2ccccc2N13.c15ccc(N)cc1.n14nnc5n1.C3(=O)C4 |
44638 | Cc1ccc(C(=O)Cn2nnc(-c3ccc(N)cc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc4cc1.c16ccc(N)cc1.n15nnc6n1.C4(=O)C5 |
44639 | Nc1ccc(-c2nnn(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][N][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Nc1ccc7cc1.c15ccc(Cl)cc1.c17nnn6n1.C6C4=O.N45 |
44640 | Nc1ccc(-c2nnn(CC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][#C][C][N][=N][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c15ccc(F)c(Cl)c1.Nc1ccc7cc1.c17nnn6n1.C6C4=O.N45 |
44641 | COc1cc(NC(=O)CC(C)C)c(OC)cc1NC(C)=O | [C][O][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][N][C][Branch1][C][C][=O] | c14cc6c5cc17.C2(=O)CC(C)C.C3(C)=O.CO4.N26.O5C.N37 |
44642 | O=C(c1cccnc1Nc1cccc(Cl)c1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15cccnc13.c14cccc(Cl)c1.N12CCOCC1.O=C25.N34 |
44643 | CCCN(C(=O)c1ccco1)c1nnc(-c2ccncc2)s1 | [C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc7s1.c17ccncc1.c16ccco1.CCC4.N345.C36=O |
44645 | O=C(NC1CC2CCC(C1)N2C(=O)NCc1ccccc1)C1CC1 | [O][=C][Branch2][Ring1][=C][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | C17CC2CCC(C1)N24.c19ccccc1.O=C38.C45=O.C18CC1.N37.N56.C69 |
44646 | CC(=O)NC1CC2CCCC(C1)N2C(=O)Nc1ccccc1 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CC2CCCC(C1)N24.c16ccccc1.CC3=O.C45=O.N37.N56 |
44648 | O=C(CN(C(=O)c1csnn1)C1CC1)NC1CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1] | C16CCCCC1.c17csnn1.O=C2C4.N345.C37=O.C15CC1.N26 |
44649 | C=CCN(CC(=O)NC1CCCC1)C(=O)c1csnn1 | [C][=C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1] | C16CCCC1.c17csnn1.C5C2=O.C=CC4.N345.C37=O.N26 |
44650 | C=CCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1 | [C][=C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1] | C16CCCCC1.c17csnn1.C5C2=O.C=CC4.N345.C37=O.N26 |
44651 | COc1ccc(-c2cc3nc(C)cc(C)n3n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][=C][Ring1][P][O][C] | c16cc2nc(C)cc(C)n2n1.c14ccc6cc15.CO4.O5C |
44652 | COc1cc(OC)cc(-c2cc3nc(C)cc(C)n3n2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring2][C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][=C][Ring2][Ring1][Ring1] | c16cc2nc(C)cc(C)n2n1.c14cc5cc6c1.CO4.O5C |
44653 | CN(C)C(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)o1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][Ring1][#C] | c17ccc2c(c1)OCO2.c18nnc6o1.C4(=O)C5.CN4C.S58.C67 |
44656 | O=C(CSc1nnc(-c2ccccn2)o1)Oc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7o1.c17ccccn1.c14ccccc1.O=C3C5.S56.O34 |
44659 | O=C(CSc1nnc(-c2ccccn2)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c15nnc6o1.c16ccccn1.N13CCOCC1.O=C3C4.S45 |
44664 | O=C1c2ccccc2CC1Sc1nnc(-c2cnccn2)o1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][O][Ring1][O] | O=C1c2ccccc2CC14.c13nnc5o1.c15cnccn1.S34 |
44667 | N#Cc1ccccc1CSc1nnc(-c2cnccn2)o1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][O][Ring1][O] | N#Cc1ccccc14.c15nnc6o1.c16cnccn1.C34.S35 |
44668 | c1cnc(-c2nnc(SCC3CCCO3)o2)cn1 | [C][=C][N][=C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][#Branch2][S][C][C][C][C][C][O][Ring1][Branch1][O][Ring1][N][C][=N][Ring2][Ring1][C] | c1cnc7cn1.c17nnc6o1.C15CCCO1.S46.C45 |
44670 | CN(C)C(=O)CSc1nnc(-c2cnccn2)o1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][O][Ring1][O] | c15nnc6o1.c16cnccn1.C3(=O)C4.CN3C.S45 |
44671 | O=C(CSc1nnc(-c2cnccn2)o1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][O][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7o1.c17cnccn1.c15ccccc1.O=C3C4.S46.N35 |
44672 | O=C(CSc1nnc(-c2cnccn2)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][O][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c15nnc6o1.c16cnccn1.N13CCOCC1.O=C3C4.S45 |
44679 | CC1CCCC(C)N1C(=O)CSc1nc2c(N)ncnc2[nH]1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c15nc2c(N)ncnc2[nH]1.CC1CCCC(C)N13.C3(=O)C4.S45 |
44680 | CC(C)(C)NC(=O)C1CCCN1C(=O)NC1CCCCC1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | C17CCCN13.C16CCCCC1.CC5(C)C.C27=O.C34=O.N25.N46 |
44681 | CC(C)CNC(=O)C1CCCN1C(=O)NC1CCCCC1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | C17CCCN13.C16CCCCC1.CC(C)C5.C27=O.C34=O.N25.N46 |
44682 | O=C(NCc1cccs1)C1CCCN1C(=O)NC1CCCCC1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | C17CCCN13.C16CCCCC1.c18cccs1.O=C27.C34=O.N25.C58.N46 |
44683 | O=C(NC1CCCCC1)C1CCCN1C(=O)NCc1ccccc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16CCCCC1.C17CCCN13.c18ccccc1.O=C27.C34=O.N26.N45.C58 |
44684 | CCC(C)(C)NC(=O)C1CCCN1C(=O)NCc1ccccc1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CCCN13.c18ccccc1.CCC5(C)C.C27=O.C34=O.N25.N46.C68 |
44685 | O=C(Nc1ccccc1)C1CCCN1C(=O)NCc1ccccc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.C17CCCN13.c18ccccc1.O=C27.C34=O.N26.N45.C58 |
44686 | O=C(Nc1ccc(F)cc1)C1CCCN1C(=O)Nc1ccc(F)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c16ccc(F)cc1.C17CCCN13.O=C27.C34=O.N25.N46 |
44687 | O=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccc(F)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.C17CCCN13.c18ccco1.O=C27.C34=O.N25.C58.N46 |
44688 | COc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | c16ccc8cc1.N14CCCC19.c1%10ccco1.C34=O.C59=O.CO6.N38.N57.C7%10 |
44689 | COc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c16ccc7cc1.N14CCCC19.c18ccccc1.C34=O.C59=O.CO6.N37.N58 |
44690 | COc1ccc(NC(=O)N2CCCC2C(=O)NC(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | c16ccc8cc1.N14CCCC19.C34=O.C59=O.C7(C)C.CO6.N38.N57 |
44691 | CC(C)NC(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16ccc(Cl)cc1.C17CCCN13.CC5C.C27=O.C34=O.N25.N46 |
44692 | CC(C)NC(=O)C1CCCN1C(=O)Nc1ccccc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CCCN13.c16ccccc1.CC5C.C27=O.C34=O.N25.N46 |
44693 | Cc1ccc(NC(=O)N2CCCC2C(=O)NCCC(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.N14CCCC18.C6CC(C)C.C34=O.C58=O.N37.N56 |
44694 | Cc1ccc(NC(=O)N2CCCC2C(=O)NCc2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.N14CCCC18.c19cccs1.C34=O.C58=O.N37.N56.C69 |
44695 | Cc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.N14CCCC18.c19ccco1.C34=O.C58=O.N37.N56.C69 |
44696 | COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccco1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc17.N13CCCC18.c19ccco1.C23=O.C48=O.CO5.N27.N46.C69 |
44697 | COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc16.N13CCCC18.c17ccccc1.C23=O.C48=O.CO5.N26.N47 |
44698 | O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccc(F)cc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.C17CCCN13.C16CCCC1.O=C27.C34=O.N26.N45 |
44699 | CC(C)(C)NC(=O)C1CCCN1C(=O)Nc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CCCN13.c16ccccc1.CC5(C)C.C27=O.C34=O.N25.N46 |
44700 | O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CCCN13.c15ccccc1.C16CCCC1.O=C27.C34=O.N26.N45 |
44702 | O=C(NCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18ccccc1.C17CCCN13.c16ccccc1.O=C27.C34=O.N25.C58.N46 |
44703 | CC(C)CNC(=O)C1CCCN1C(=O)Nc1ccccc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CCCN13.c16ccccc1.CC(C)C5.C27=O.C34=O.N25.N46 |
44704 | O=C(NCc1ccc(F)cc1)C1CCCN1C(=O)Nc1ccccc1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18ccc(F)cc1.C17CCCN13.c16ccccc1.O=C27.C34=O.N25.C58.N46 |
44705 | O=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CCCN13.c16ccccc1.c18cccs1.O=C27.C34=O.N25.C58.N46 |
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