ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
28738 | O=C(NCCn1ccc2ccccc21)c1cc2ccccc2oc1=O | [O][=C][Branch1][P][N][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c15cc2ccccc2oc1=O.n16ccc2ccccc21.O=C35.C4C6.N34 |
28739 | Cc1cc2ccccc2n1CCNC(=O)COc1ccccc1 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc2ccccc2n17.c15ccccc1.C3(=O)C4.C7C6.N36.O45 |
28740 | Cc1cc2ccccc2n1CCNC(=O)c1c(F)cccc1F | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | Cc1cc2ccccc2n16.c15c(F)cccc1F.C6C4.C35=O.N34 |
28741 | Cc1cc2ccccc2n1CCNC(=O)c1ccccc1F | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1cc2ccccc2n16.c15ccccc1F.C6C4.C35=O.N34 |
28742 | Cc1cc2ccccc2n1CCNC(=O)c1cccs1 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cc1cc2ccccc2n16.c15cccs1.C6C4.C35=O.N34 |
28743 | Cc1cc2ccccc2n1CCNC(=O)c1ccccc1 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc2ccccc2n16.c15ccccc1.C6C4.C35=O.N34 |
28744 | COc1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][O][C] | n19c(C)cc2ccccc21.c15ccc8cc16.C48=O.C7C9.CO5.N47.O6C |
28745 | Cc1cc2ccccc2n1CCNC(=O)c1cc2ccccc2oc1=O | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c15cc2ccccc2oc1=O.Cc1cc2ccccc2n16.C6C4.C35=O.N34 |
28746 | Cc1ccc(S(=O)(=O)NCCn2ccc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.n16ccc2ccccc21.C4C6.N45 |
28747 | O=S(=O)(NCCn1ccc2ccccc21)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][P][N][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S4(=O)c1ccc(F)cc1.n15ccc2ccccc21.C3C5.N34 |
28748 | COc1ccc(S(=O)(=O)NCCn2ccc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c14ccc(S6(=O)=O)cc1.n17ccc2ccccc21.C5C7.CO4.N56 |
28749 | Cc1cc2ccccc2n1CCNS(=O)(=O)c1ccccc1 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc2ccccc2n15.S4(=O)(=O)c1ccccc1.C5C3.N34 |
28750 | Cc1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)n(C)n1 | [C][C][C][=C][Branch2][Ring1][O][C][N][=C][C][C][=C][Branch1][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][N][=Ring1][N][C][C][C][C][Ring1][N][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1] | c16nc2c3c4c(sc3ncn2n1)CCCC4.Cc1cc6n(C)n1 |
28751 | O=C(Nc1cccnc1)c1cnc2ccccc2n1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15cnc2ccccc2n1.c14cccnc1.O=C35.N34 |
28752 | COc1ccc(NC(=O)c2cnc3ccccc3n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c18cnc2ccccc2n1.c15ccc7c6c1.C48=O.CO5.N47.O6C |
28753 | COc1cc(NC(=O)c2cnc3ccccc3n2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c18cnc2ccccc2n1.c15cc6cc7c1.C48=O.CO5.N47.O6C |
28754 | CCOC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c18cnc2ccccc2n1.c19cccc7c1.C49=O.C58=O.CC6.O46.N57 |
28756 | CCOC(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c18cnc2ccccc2n1.c19ccc7cc1.C49=O.C58=O.CC6.O46.N57 |
28757 | CCC(C)NC(=O)CCc1nc(-c2ccc(C)cc2)no1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | c16ccc(C)cc1.c15nc6no1.C3(=O)CC5.CCC4C.N34 |
28758 | Cc1ccc(-c2noc(CCC(=O)N3CCC(C)CC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.N14CCC(C)CC1.c16noc5n1.C5CC4=O |
28759 | Cc1ccc(-c2noc(CCC(=O)NC(C)C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][O][C][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c16noc5n1.C5CC3=O.C4(C)C.N34 |
28760 | Cc1ccc(-c2noc(CCC(=O)NC3CC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][O][C][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.c17noc6n1.C6CC4=O.C15CC1.N45 |
28761 | COc1ccccc1NC(=O)CCc1nc(-c2ccccc2F)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][Ring1][N] | c14ccccc15.c17ccccc1F.c16nc7no1.C3(=O)CC6.CO4.N35 |
28762 | O=C(CCc1nc(-c2ccccc2F)no1)NCc1ccco1 | [O][=C][Branch2][Ring1][Branch1][C][C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][Ring1][N][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc1F.c15nc7no1.O=C3CC5.c16ccco1.N34.C46 |
28763 | O=C(CCc1nc(-c2ccccc2F)no1)Nc1cccnc1 | [O][=C][Branch2][Ring1][Branch1][C][C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][Ring1][N][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccccc1F.c15nc6no1.c14cccnc1.O=C3CC5.N34 |
28764 | O=C(CSc1nnc(-c2ccccc2)o1)Nc1nccs1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][=N][C][=C][S][Ring1][Branch1] | c16nnc7o1.c17ccccc1.c15nccs1.O=C3C4.S46.N35 |
28765 | Cc1ccccc1-c1nnc(SCC(=O)Nc2nccs2)o1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][O][Ring1][#C] | Cc1ccccc17.c17nnc6o1.c15nccs1.C4C3=O.S46.N35 |
28767 | COc1ccccc1-c1nnc(SCC(=O)N2CCCC2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring1][=C] | c14ccccc17.c17nnc6o1.N13CCCC1.C5C3=O.CO4.S56 |
28769 | O=C(CSc1nnc(-c2ccccc2F)o1)Nc1nccs1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N][N][C][=N][C][=C][S][Ring1][Branch1] | c17ccccc1F.c16nnc7o1.c15nccs1.O=C3C4.S46.N35 |
28770 | CCC1CCCCN1C(=O)CSc1nnc(-c2cccs2)o1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2] | C15CCCCN13.c16nnc7o1.c17cccs1.C3(=O)C4.CC5.S46 |
28772 | CC1CCCCN1C(=O)CSc1nnc(-c2ccco2)o1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | CC1CCCCN13.c15nnc6o1.c16ccco1.C3(=O)C4.S45 |
28773 | Cc1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc7cc1C.c17nnc6o1.N14CCCC1.C5C4=O.S56 |
28778 | O=C(CSc1nnc(COc2ccccc2)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c18nnc7o1.c15ccccc1.N13CCOCC1.O=C3C6.S68.C47.O45 |
28781 | C=CCN(c1ccccc1)S(=O)(=O)c1cccnc1 | [C][=C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | S3(=O)(=O)c1cccnc1.c14ccccc1.C=CC2.N234 |
28783 | O=S(=O)(Nc1cccc(Cl)c1)c1cccnc1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S2(=O)c1cccnc1.c13cccc(Cl)c1.N23 |
28784 | Cc1cccc(NS(=O)(=O)c2cccnc2)c1C | [C][C][=C][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][S][C] | S3(=O)(=O)c1cccnc1.Cc1cccc4c1C.N34 |
28785 | CCOc1ccc(NS(=O)(=O)c2cccnc2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1cccnc1.c14ccc6cc1.CC3.O34.N56 |
28786 | O=S(=O)(Nc1ccc(Br)cc1)c1cccnc1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S2(=O)c1cccnc1.c13ccc(Br)cc1.N23 |
28787 | Cc1ccc(NS(=O)(=O)c2cccnc2)cc1C | [C][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S][C] | S3(=O)(=O)c1cccnc1.Cc1ccc4cc1C.N34 |
28788 | COc1ccccc1CNS(=O)(=O)c1cccnc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | S4(=O)(=O)c1cccnc1.c12ccccc15.CO2.C35.N34 |
28789 | O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccnc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1cccnc1.N13CCN4CC1.c15ccco1.O=C35 |
28792 | COc1ccc2nc3sc(C(=O)N4CCOCC4)cc3cc2c1 | [C][O][C][=C][C][=C][N][=C][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring1][=N][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2nc3sc7cc3cc2c1.N15CCOCC1.C57=O.CO6 |
28793 | Cc1ccccc1CN1CCN(CC(=O)NCc2ccco2)C1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C][=O] | Cc1ccccc18.N15CCN6C1=O.c17ccco1.C6C3=O.C58.N34.C47 |
28794 | Cc1ccccc1CN1CCN(CC(=O)NCC2CCCO2)C1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][#C][=O] | Cc1ccccc18.N15CCN6C1=O.C17CCCO1.C6C3=O.C58.N34.C47 |
28795 | CCC(C)NC(=O)CN1CCN(Cc2cccc(C)c2)C1=O | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][=N][=O] | N15CCN6C1=O.c17cccc(C)c1.CCC4C.C3(=O)C5.N34.C67 |
28797 | Cc1cccc(CN2CCN(CC(=O)NCc3ccccc3)C2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][=C][Ring2][Ring1][Branch2] | Cc1cccc8c1.N16CCN7C1=O.c19ccccc1.C7C4=O.C68.N45.C59 |
28798 | O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NCc1ccco1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=N][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | N15CCN6C1=O.c18ccccc1Cl.c17ccco1.O=C3C5.C68.N34.C47 |
28799 | O=C(CN1CCN(Cc2ccccc2F)C1=O)NCC1CCCO1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][=O][N][C][C][C][C][C][O][Ring1][Branch1] | N15CCN6C1=O.c18ccccc1F.C17CCCO1.O=C3C5.C68.N34.C47 |
28800 | O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15CCN6C1=O.c17ccccc1F.c18ccccc1.O=C3C5.C67.N34.C48 |
28801 | O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NC1CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][N][C][C][C][C][C][Ring1][Branch1] | N15CCN6C1=O.c17ccc(F)cc1.C14CCCC1.O=C3C5.C67.N34 |
28802 | O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1cccs1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | N15CCN6C1=O.c18ccc(F)cc1.c17cccs1.O=C3C5.C68.N34.C47 |
28803 | O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15CCN6C1=O.c17ccc(F)cc1.c18ccccc1.O=C3C5.C67.N34.C48 |
28804 | CCC(C)NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][Ring1][=C][=O] | c17ccc(F)cc1Cl.N15CCN6C1=O.CCC4C.C3(=O)C5.N34.C67 |
28806 | O=C(CN1CCN(Cc2ccccc2)C1=O)NCc1cccs1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | N15CCN6C1=O.c18ccccc1.c17cccs1.O=C3C5.C68.N34.C47 |
28807 | O=C(CN1CCN(Cc2ccccc2)C1=O)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15CCN6C1=O.c17ccccc1.c18ccccc1.O=C3C5.C4C8.C67.N34 |
28808 | Cc1cc(NC(=O)C(C)C)nc2c1c(=O)oc1ccccc12 | [C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][Ring1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | Cc1cc4nc2c1c(=O)oc1ccccc12.C3(=O)C(C)C.N34 |
28809 | COc1ccc(-c2noc(CCC(=O)Nc3cc(C)on3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c18noc7n1.c16cc(C)on1.C7CC4=O.CO5.N46 |
28810 | COc1ccc(-c2noc(CCC(=O)Nc3ccccc3F)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][O][C][Branch1][P][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c15ccc8cc1.c16ccccc1F.c18noc7n1.C7CC4=O.CO5.N46 |
28811 | CCC(C)NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][O][Ring1][=N] | c17ccc4cc1.c16nc7no1.C3(=O)CC6.CCC5C.N35.O4C |
28812 | COc1ccc(-c2noc(CCC(=O)N3CCCC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][O][C][Branch1][=C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.c17noc6n1.C6CC4=O.N14CCCC1.CO5 |
28813 | COc1ccc(-c2noc(CCC(=O)N3CCCCC3C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][O][C][Branch1][S][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc7cc1.N14CCCCC1C.c17noc6n1.C6CC4=O.CO5 |
28814 | COc1ccc(-c2noc(CCC(=O)N3CCC(C)CC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc7cc1.N14CCC(C)CC1.c17noc6n1.C6CC4=O.CO5 |
28815 | COc1ccc(-c2noc(CCC(=O)NCc3ccco3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][O][C][Branch1][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.c19noc7n1.C7CC4=O.c18ccco1.CO5.N46.C68 |
28816 | COc1ccc(-c2noc(CCC(=O)NC(C)C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][O][C][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c17noc6n1.C6CC3=O.C5(C)C.CO4.N35 |
28817 | COc1ccc(-c2noc(CCC(=O)NCc3ccc(C)o3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.c19noc7n1.c18ccc(C)o1.C7CC4=O.CO5.N46.C68 |
28819 | COc1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c18noc7n1.C7CC4=O.C16CCCC1.CO5.N46 |
28820 | COc1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][O][C][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c18noc7n1.c16cccnc1.C7CC4=O.CO5.N46 |
28821 | Cn1cc(CC(=O)Nc2ccc(F)cc2)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1cc5c2ccccc21.c14ccc(F)cc1.C5C3=O.N34 |
28822 | Cn1cc(CC(=O)NC2CCCCC2)c2ccccc21 | [C][N][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1cc5c2ccccc21.C14CCCCC1.C5C3=O.N34 |
28823 | COc1ccc(NC(=O)Cc2cn(C)c3ccccc23)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c18cn(C)c2ccccc12.c15ccc7c6c1.C4(=O)C8.CO5.N47.O6C |
28824 | Cn1cc(CC(=O)Nc2ccc(F)cc2F)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1cc5c2ccccc21.c14ccc(F)cc1F.C5C3=O.N34 |
28825 | COc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c18cn(C)c2ccccc12.c15ccc7cc16.C4(=O)C8.CO5.N47.O6C |
28826 | COc1cccc(NC(=O)Cc2cn(C)c3ccccc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c17cn(C)c2ccccc12.c15cccc6c1.C4(=O)C7.CO5.N46 |
28827 | Cn1cc(CC(=O)NCC2CCCO2)c2ccccc21 | [C][N][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1cc6c2ccccc21.C15CCCO1.C6C3=O.N34.C45 |
28828 | Cn1cc(CC(=O)NCc2ccccn2)c2ccccc21 | [C][N][C][=C][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][Ring2][Ring1][Ring2] | Cn1cc6c2ccccc21.c15ccccn1.C6C3=O.N34.C45 |
28829 | CCOC(=O)N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c18cn(C)c2ccccc12.N15CCN6CC1.C6(=O)C8.C45=O.CC7.O47 |
28830 | COc1ccc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c18cn(C)c2ccccc12.c15ccc6c7c1.C4(=O)C8.CO5.O6C.N47 |
28831 | Cn1cc(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][=Branch1][C][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][Ring2][Ring1][=Branch1] | Cn1cc6c2ccccc21.c15ccc2c(c1)OCO2.C6C4=O.N45 |
28833 | Cn1cc(CC(=O)NC2CCCC2)c2ccccc21 | [C][N][C][=C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | Cn1cc5c2ccccc21.C14CCCC1.C5C3=O.N34 |
28834 | Cn1cc(CC(=O)Nc2cccnc2)c2ccccc21 | [C][N][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1cc5c2ccccc21.c14cccnc1.C5C3=O.N34 |
28835 | Cc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)ccc1Br | [C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][C][=C][Ring1][P][Br] | S3(=O)(=O)c1c(C)n[nH]c1C.Cc1cc4ccc1Br.N34 |
28836 | COc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1c(C)n[nH]c1C.c13cc4cc6c1.CO3.N56.O4C |
28837 | Cc1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][Ring1][P][C] | S3(=O)(=O)c1c(C)n[nH]c1C.Cc1cccc4c1C.N34 |
28838 | Cc1n[nH]c(C)c1S(=O)(=O)N1CCCCCC1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | Cc1n[nH]c(C)c1S2(=O)=O.N12CCCCCC1 |
28839 | Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccccc21 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | Cc1n[nH]c(C)c1S3(=O)=O.N13CCc2ccccc21 |
28840 | Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C)C1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | Cc1n[nH]c(C)c1S2(=O)=O.N12CCCC(C)C1 |
28841 | CCOc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring1][P] | S5(=O)(=O)c1c(C)n[nH]c1C.c14ccc6cc1.CC3.O34.N56 |
28842 | Cc1ccccc1NS(=O)(=O)c1c(C)n[nH]c1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | S2(=O)(=O)c1c(C)n[nH]c1C.Cc1ccccc13.N23 |
28843 | Cc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][C] | S3(=O)(=O)c1c(C)n[nH]c1C.Cc1ccc4c(C)c1.N34 |
28844 | Cc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring1][P][C] | S3(=O)(=O)c1c(C)n[nH]c1C.Cc1ccc4cc1C.N34 |
28845 | Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccc(F)cc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1n[nH]c(C)c1S3(=O)=O.c14ccc(F)cc1.N23.C24 |
28846 | Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(F)c1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | Cc1n[nH]c(C)c1S2(=O)=O.c13ccc(F)c(F)c1.N23 |
28847 | Cc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring1][P][Cl] | S3(=O)(=O)c1c(C)n[nH]c1C.Cc1ccc4cc1Cl.N34 |
28848 | Cc1noc(C)c1S(=O)(=O)Nc1ccccc1F | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1noc(C)c1S2(=O)=O.c13ccccc1F.N23 |
28849 | COc1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | S5(=O)(=O)c1c(C)noc1C.c13ccc6cc1.CO3.C46.N45 |
28850 | Cc1noc(C)c1S(=O)(=O)Nc1ccc(Br)cc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Cc1noc(C)c1S2(=O)=O.c13ccc(Br)cc1.N23 |
28851 | Cc1ccc(C)c(NS(=O)(=O)c2c(C)noc2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] | S3(=O)(=O)c1c(C)noc1C.Cc1ccc(C)c4c1.N34 |
28852 | COc1ccc(OC)c(NS(=O)(=O)c2c(C)noc2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1c(C)noc1C.c13ccc4c6c1.CO3.O4C.N56 |
28853 | Cc1noc(C)c1S(=O)(=O)NCc1ccccc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1noc(C)c1S3(=O)=O.c14ccccc1.N23.C24 |
28855 | CC(=O)N1CCc2cc(S(=O)(=O)N=c3ccc(C)c[nH]3)ccc21 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][C][=C][C][Branch1][C][C][=C][NH1][Ring1][#Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2] | N14CCc2cc(S(=O)(=O)N=c3ccc(C)c[nH]3)ccc21.CC4=O |
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