ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
7592 | O=C(NCCc1nc2ccccc2[nH]1)c1cccc(Br)c1 | [O][=C][Branch1][P][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c16nc2ccccc2[nH]1.c15cccc(Br)c1.O=C35.C4C6.N34 |
7593 | CC1CCc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][O][S][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][Branch1][C][N][=O][C][Ring2][Ring1][=Branch1] | CC1CCc2c(sc6c28)C1.c17ccccc1.C45=O.C8(N)=O.N46.N57 |
7594 | CC1CCc2c(sc(NC(=O)c3ccncc3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][#Branch2][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][Branch1][C][N][=O][C][Ring2][Ring1][Branch1] | CC1CCc2c(sc5c27)C1.c16ccncc1.C46=O.C7(N)=O.N45 |
7595 | CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1cccs1 | [C][C][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Branch1][C][C][N][Ring1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1] | c13c(C#N)c(C)c(C)n14.c15cccs1.CCC2=O.N23.C45 |
7597 | CCOC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S] | C6S(=O)(=O)c1ccc(Cl)cc1.c15csc6n1.C35=O.CC4.O34 |
7598 | CCOC(=O)c1csc(COc2ccccc2Cl)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][=C] | c16ccccc1Cl.c17csc8n1.C37=O.CC4.O34.C58.O56 |
7599 | Cc1c(S(=O)(=O)C(C)C)c(N)n(Cc2cccnc2)c1C | [C][C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring2][Ring1][Ring1][C] | Cc1c(S(=O)(=O)C(C)C)c(N)n3c1C.c14cccnc1.C34 |
7600 | COC(=O)c1c(C)nn(C)c1-c1snnc1C | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][S][N][=N][C][=Ring1][Branch1][C] | c13c(C)nn(C)c14.c14snnc1C.C23=O.CO2 |
7601 | CCOC(=O)c1cc(CSc2n[nH]c(=O)n2-c2ccccc2)on1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring2][Ring1][Ring1] | c19n[nH]c(=O)n18.c16cc7on1.c18ccccc1.C36=O.CC4.O34.C57.S59 |
7602 | O=C(CSc1n[nH]c(=O)n1-c1ccccc1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15n[nH]c(=O)n14.c13ccc(Cl)cc1.c14ccccc1.O=C3C2.S25 |
7603 | Cc1nc(CSc2nc(C(C)(C)C)n[nH]2)cs1 | [C][C][=N][C][Branch2][Ring1][Ring2][C][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2][=C][S][Ring1][S] | Cc1nc4cs1.c16nc5n[nH]1.C5(C)(C)C.C34.S36 |
7604 | COC(=O)c1c(C)noc1-c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13c(C)noc14.c14ccc(Cl)cc1.C23=O.CO2 |
7605 | COC(=O)c1c(C)noc1-c1ccc(C(F)(F)F)cc1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c13c(C)noc15.c15ccc4cc1.C4(F)(F)F.C23=O.CO2 |
7606 | CCOC(=O)c1csc(COc2ccc(OC)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][#C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][#C] | c16ccc7cc1.c18csc9n1.C38=O.CC4.O34.C59.O56.O7C |
7608 | CCCS(=O)(=O)c1c(C)c(C)n(Cc2ccccc2)c1N | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][N] | CCCS(=O)(=O)c1c(C)c(C)n3c1N.c14ccccc1.C34 |
7609 | N#CC(C#N)C(c1ccsc1)c1c(O)n[nH]c1-c1ccccc1 | [N][#C][C][Branch1][Ring1][C][#N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#CC(C#N)C23.c13c(O)n[nH]c14.c14ccccc1.c12ccsc1 |
7610 | CCCS(=O)(=O)c1c(C)c(C)n(Cc2cccc(Cl)c2)c1N | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=C][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][#C][N] | CCCS(=O)(=O)c1c(C)c(C)n3c1N.c14cccc(Cl)c1.C34 |
7611 | CCOC(=O)c1sc(-c2cccs2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C] | c15sc6nc1C.c16cccs1.C35=O.CC4.O34 |
7613 | CCOC(=O)c1csc(-c2ccc(F)cc2F)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring1][=N] | c16ccc(F)cc1F.c15csc6n1.C35=O.CC4.O34 |
7614 | CCOC(=O)c1sc(CS(=O)(=O)c2ccccn2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=Ring1][#C][C] | C6S(=O)(=O)c1ccccn1.c15sc6nc1C.C35=O.CC4.O34 |
7615 | COc1ccc(-c2nnc(-c3ccco3)o2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=C][Ring1][S][O][C] | c14ccc7cc15.c17nnc6o1.c16ccco1.CO4.O5C |
7617 | CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | N14CCN5CC1.c17ccc(Cl)cc1.C5(=O)C7.C34=O.CC6.O36 |
7618 | Cc1ccc(CSc2nnc(-c3csc(C)n3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16nnc7n1C.c17csc(C)n1.C45.S46 |
7619 | COc1ccc(Oc2coc3cc(OC(C)=O)ccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=C][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1] | c17coc2cc8ccc2c1=O.c15ccc6cc1.C4(C)=O.CO5.O67.O48 |
7621 | Cc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][Ring2][Ring1][Ring2] | c16ccc2ccccc2c1.Cc1nnc7s1.C4(=O)C5.N47.O56 |
7622 | CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][C] | c18ccc(Cl)cc1C.N14CCN5CC1.C5(=O)C7.C34=O.CC6.O36.O78 |
7623 | CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N14CCN5CC1.c18ccc(Cl)cc1.C5(=O)C7.C34=O.CC6.O36.O78 |
7624 | Cc1sc2ncnc(N3CCC(C)CC3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=N][C][=Ring1][S][C] | Cc1sc2ncnc4c2c1C.N14CCC(C)CC1 |
7626 | CCc1nc2ccccc2c(=O)n1-c1ccccc1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2ccccc2c(=O)n14.c14ccccc1.CC3 |
7627 | Cc1nc(-c2nnc(SCC(=O)c3ccccc3)o2)cs1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C][=C][S][Ring2][Ring1][Ring2] | Cc1nc7cs1.c17nnc6o1.c15ccccc1.C4C5=O.S46 |
7628 | FC(F)(F)c1cc(-c2ccccc2)nc2ncnn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][C][=N][N][Ring1][#C][Ring1][Branch1] | c13cc4nc2ncnn12.c14ccccc1.FC3(F)F |
7633 | O=C(Nc1ncc(Cc2ccccc2)s1)C1CCCO1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][C][C][C][C][O][Ring1][Branch1] | c14ncc6s1.c17ccccc1.C15CCCO1.O=C35.N34.C67 |
7634 | O=C(c1cncc(Br)c1)N1CCOCC1 | [O][=C][Branch1][N][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c13cncc(Br)c1.N12CCOCC1.O=C23 |
7636 | O=C(NC1CCCC1)c1cncc(Br)c1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cncc(Br)c1.C13CCCC1.O=C24.N23 |
7637 | Cc1cccc(NC(=O)c2cncc(Br)c2)c1 | [C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring1][S] | Cc1cccc4c1.c15cncc(Br)c1.C35=O.N34 |
7638 | COc1ccc(Cc2cnc(NC(C)=O)s2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][C][=C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][Ring1][=Branch2][C][=C][Ring1][S] | c14ccc7cc1.c16cnc5s1.C3(C)=O.CO4.C67.N35 |
7639 | CCc1ccccc1NC(=O)c1cncc(Br)c1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15ccccc13.c14cncc(Br)c1.C24=O.CC5.N23 |
7640 | CCc1ccc(NC(=O)c2cncc(Br)c2)cc1 | [C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc4cc1.c15cncc(Br)c1.C35=O.CC6.N34 |
7641 | CCOc1ccccc1NC(=O)c1cncc(Br)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14ccccc15.c16cncc(Br)c1.C26=O.CC3.O34.N25 |
7642 | CCC(CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C | [C][C][C][Branch1][Ring1][C][O][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c14nc2c(c(=O)n(C)c(=O)n2C)n1C.CCC3CO.N34 |
7643 | COc1ccc(NC(=O)c2cncc(Br)c2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6c5c1.c17cncc(Br)c1.C37=O.CO4.N36.O5C |
7645 | COC(=O)c1ccccc1NC(=O)c1cncc(Br)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15ccccc14.c16cncc(Br)c1.C25=O.C36=O.CO2.N34 |
7646 | CC(=O)c1sc(COc2cccc(Cl)c2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring1][=C][C] | c15sc6nc1C.c14cccc(Cl)c1.CC5=O.C36.O34 |
7647 | NC(=O)c1ccccc1NC(=O)c1cncc(Br)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14ccccc13.c15cncc(Br)c1.NC4=O.C25=O.N23 |
7648 | CC(=O)c1sc(COc2ccc(Cl)cc2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][=C][C] | c15sc6nc1C.c14ccc(Cl)cc1.CC5=O.C36.O34 |
7649 | O=C(NCCc1ccccc1)c1cncc(Br)c1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cncc(Br)c1.c15ccccc1.O=C24.C3C5.N23 |
7650 | O=C(Nc1ccccc1F)c1cncc(Br)c1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13ccccc1F.c14cncc(Br)c1.O=C24.N23 |
7651 | O=C(CSc1nnc(Cc2ccsc2)o1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][O][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc5o1.c14ccccc1.c16ccsc1.O=C4C3.S37.C56 |
7652 | CCOC(=O)CSc1nc2cc(C(F)(F)F)ccc2[nH]1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N] | c17nc2cc6ccc2[nH]1.C3(=O)C5.C6(F)(F)F.CC4.O34.S57 |
7653 | CC(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring1][S] | c15cccc4c1.c16cncc(Br)c1.CC5=O.C36=O.N34 |
7655 | CC(=O)NC1C(=O)N(Cc2ccccc2)c2ccccc21 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | N3C1C(=O)N(C4)c2ccccc21.c14ccccc1.CC3=O |
7657 | Cc1cc(C)c(NC(=O)c2cncc(Br)c2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1cc(C)c4c(C)c1.c15cncc(Br)c1.C35=O.N34 |
7659 | O=c1c(=Cc2cccnc2)sc2n1CN(c1cccc(F)c1)CN=2 | [O][=C][C][=Branch1][#Branch2][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][N][Ring1][N][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][=Ring1][=N] | O=c1c(=Cc2cccnc2)sc2n1CN3CN=2.c13cccc(F)c1 |
7661 | CCC1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S3(=O)(=O)c1ccc4cc1.C15CCCCN13.C2(C)=O.CC5.N24 |
7662 | CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc(S5(=O)=O)cc1.c17ccccn1.CC3=O.N36.N45.C47 |
7663 | CC(=O)Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc(S5(=O)=O)cc1.c17ccncc1.CC3=O.N36.N45.C47 |
7664 | CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc(S5(=O)=O)cc1.c17ccccc1.CC3=O.N45C.N36.C47 |
7665 | O=c1c(=Cc2ccncc2)sc2n1CN(c1cccc(F)c1)CN=2 | [O][=C][C][=Branch1][#Branch2][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][N][Ring1][N][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][=Ring1][=N] | O=c1c(=Cc2ccncc2)sc2n1CN3CN=2.c13cccc(F)c1 |
7667 | CCOC(=O)c1sc(-c2ccccc2)nc1OC | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C] | c16sc7nc15.c17ccccc1.C36=O.CC4.O34.O5C |
7672 | Cc1nc(-c2cccs2)sc1-c1ccnn1C(=O)NC(C)C | [C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][C][=Ring1][#Branch2][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c16ccnn1C3=O.Cc1nc5sc16.c15cccs1.C4(C)C.N34 |
7674 | Cc1nccc(-c2sc(-c3cccs3)nc2C)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][C][C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][=N][Ring1][P] | Cc1nccc4n1.c14sc5nc1C.c15cccs1 |
7675 | Cc1ccc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c17ccc6cc1.N14CCOCC1.C5C4=O.O56 |
7678 | CC1CC(C)CN(C(=O)c2ccc(Cl)cc2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S] | CC1CC(C)CN3C1.c14ccc(Cl)cc1.C34=O |
7679 | Cc1nc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cs1 | [C][C][=N][C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring1][#C][=C][S][Ring2][Ring1][Ring2] | c16ccc4cc1.Cc1nc5cs1.c15noc6n1.C4(F)(F)F |
7681 | CCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c15cc6ccc17.CCC4=O.C26=O.C37=O.N45.O2C.O3C |
7682 | Cc1nc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cs1 | [C][C][=N][C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][Ring1][#C][=C][S][Ring2][Ring1][Ring2] | c16ccc4cc1.Cc1nc5cs1.c15nnc6o1.C4(F)(F)F |
7683 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)(C)C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P] | c16ccc7c5c1.C4(=O)C(C)(C)C.C26=O.C37=O.CO2.O3C.N45 |
7684 | CC(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N] | c16ccc7cc1.CC4(C)C.C5(C)(C)C.C26=O.C37=O.N24.N35 |
7685 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccncc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c17ccc8c6c1.c19ccncc1.C37=O.C48=O.C59=O.CO3.O4C.N56 |
7686 | Cc1ccc(-c2nnc(-c3csc(C)n3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][N][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | Cc1ccc5cc1.c15nnc4o1.c14csc(C)n1 |
7687 | CC(C)CNC(=O)c1ccc(C(=O)NCC(C)C)cc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][=N] | c16ccc7cc1.CC(C)C4.C5C(C)C.C26=O.C37=O.N24.N35 |
7688 | CCn1nc(C)cc1-c1nnc(SCC(=O)c2ccc(C)cc2)o1 | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][S] | n15nc(C)cc17.c14ccc(C)cc1.c17nnc6o1.C3C4=O.CC5.S36 |
7690 | Cc1ccc(OCC(=O)NCC2CCCO2)c(C)c1 | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.C17CCCO1.C4C3=O.O45.N36.C67 |
7692 | Cc1cc(-c2nnc(-c3ccccc3Cl)o2)no1 | [C][C][=C][C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N][=N][O][Ring1][P] | c15ccccc1Cl.Cc1cc4no1.c14nnc5o1 |
7694 | Cc1cc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | c16ccc4cc1.Cc1cc5no1.c15nnc6o1.C4(F)(F)F |
7695 | Cc1cc(-c2nnc(-c3ccc(Cl)cc3)o2)no1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][=N][O][Ring1][P] | c15ccc(Cl)cc1.Cc1cc4no1.c14nnc5o1 |
7697 | CCOC(=O)c1c(NC(=O)OC)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][S][C][=C][Ring1][#Branch2][C][C][C][C][Ring1][=Branch1] | c18c7sc2c1CCCC2.C38=O.C45=O.CC6.O36.N57.O4C |
7698 | CCOC(=O)c1csc(-c2csc(C)n2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=N][Ring1][O] | c15csc6n1.c16csc(C)n1.C35=O.CC4.O34 |
7699 | Cc1nc(-c2ccccc2)sc1-c1nnc(C2CC2)o1 | [C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2] | Cc1nc5sc13.c15ccccc1.c13nnc4o1.C14CC1 |
7700 | O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc5cn1.c14ccccc1.O=C2C3.C5(F)(F)F.S36.N24 |
7702 | O=C(Nc1ccc(OC(F)F)cc1)c1cccs1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | c14ccc3cc1.c15cccs1.O3C(F)F.O=C25.N24 |
7703 | Cc1cc(=O)oc2c1c(C)nn2-c1ccc(S(N)(=O)=O)cc1 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | Cc1cc(=O)oc2c1c(C)nn23.c13ccc(S(N)(=O)=O)cc1 |
7704 | COC(=O)N=c1[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1 | [C][O][C][=Branch1][C][=O][N][=C][NH1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][NH1][Ring1][P] | C4(=O)N=c1[nH]c2ccc5cc2[nH]1.c16ccccc1.C56=O.CO4 |
7706 | Clc1ccc(-c2nc(-c3[nH]ncc3Br)no2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][NH1][N][=C][C][=Ring1][Branch1][Br][=N][O][Ring1][O][C][=C][Ring1][P] | Clc1ccc5cc1.c15nc4no1.c14[nH]ncc1Br |
7707 | Nc1nc(NCc2ccc(Cl)cc2)nc(C(F)(F)F)n1 | [N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] | Nc1nc4nc5n1.c16ccc(Cl)cc1.C5(F)(F)F.N34.C36 |
7708 | Cc1nc2cc(OCc3ccccc3)ccc2n1C | [C][C][=N][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][Ring1][P][C] | Cc1nc2cc5ccc2n1C.c16ccccc1.O45.C46 |
7709 | CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][P][C] | c18c6sc7c1C.c19ccccc1.C38=O.C49=O.C7(C)=O.CC5.O35.N46 |
7710 | CC(=O)Oc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring2] | c16ccc8cc1.N15CCN7CC1.c17ccccc1.CC4=O.C58=O.O46 |
7712 | CC(=O)Oc1ccc(C(=O)Nc2ncccc2C)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S] | c15ccc7cc1.c16ncccc1C.CC3=O.C47=O.O35.N46 |
7714 | COc1ccc(CC(=O)Nc2ccc(C)c(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c16ccc(C)c(C)c1.C7C3=O.CO4.N36.O5C |
7715 | COc1ccc(CC(=O)Nc2ccc(F)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16ccc(F)cc1.C7C3=O.CO4.N36.O5C |
7717 | O=C(Nc1cc(Cl)cc(Cl)c1)c1ccno1 | [O][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=N][O][Ring1][Branch1] | c13cc(Cl)cc(Cl)c1.c14ccno1.O=C24.N23 |
7719 | O=C(Nc1ccc(C(F)(F)F)cc1)c1ccno1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=N][O][Ring1][Branch1] | c13ccc5cc1.c14ccno1.C5(F)(F)F.O=C24.N23 |
7720 | Clc1cc(Cl)cc(-n2nnnc2-c2ccno2)c1 | [Cl][C][=C][C][Branch1][C][Cl][=C][C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=N][O][Ring1][Branch1][=C][Ring1][P] | Clc1cc3cc(Cl)c1.n13nnnc14.c14ccno1 |
7721 | COc1ccc(CC(=O)NC2CCCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c14ccc7cc15.C16CCCCCC1.C7C3=O.CO4.N36.O5C |
7722 | COc1ccc(CC(=O)NC2CCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.C16CCCCC1.C7C3=O.CO4.N36.O5C |
7725 | COc1ccc(CC(=O)NCc2ccco2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][O][C] | c14ccc8cc15.c17ccco1.C8C3=O.CO4.N36.C67.O5C |
7726 | COc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c16ccc(F)c(Cl)c1.C7C3=O.CO4.N36.O5C |
7727 | COc1ccc(CC(=O)Nc2cccc(F)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16cccc(F)c1.C7C3=O.CO4.N36.O5C |
7728 | COc1ccc(CC(=O)N2CCOCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.N13CCOCC1.C6C3=O.CO4.O5C |
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