ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1933010 | O=C(C1CCN1S(=O)(=O)c1ccccc1)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][=Branch1][C][C][C][N][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | S4(=O)(=O)c1ccccc1.N13CCc2ccccc21.C15CCN14.O=C35 |
1933011 | CC1CC1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 | [C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][S] | N13CCCN4CC1.c16ccccc1F.CC1CC15.C35=O.C46=O |
1933013 | COC(=O)c1coc(C(=O)N(Cc2cccnc2)C(C)C)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][C] | c18coc7c1.c19cccnc1.C38=O.C47=O.N456.C6(C)C.CO3.C59 |
1933014 | O=C(c1ccccc1F)N1CCCN(C(=O)C2CCOCC2)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C] | N13CCCN4CC1.c16ccccc1F.C15CCOCC1.O=C36.C45=O |
1933015 | Cc1ccccc1C1C(=O)NCCN1Cc1ncnn1CC(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][C][=N][C][=N][N][Ring1][Branch1][C][C][Branch1][C][C][C] | C15C(=O)NCCN12.Cc1ccccc15.c14ncnn13.C3C(C)C.C24 |
1933017 | Cc1nccc(N2CCN(C(=O)Nc3cnn(CC(C)C)c3)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] | Cc1nccc6n1.N16CCN4CC1.c17cnn8c1.C8C(C)C.C45=O.N57 |
1933018 | Cc1nccc(N2CCN(C(=O)Nc3cnn(C(C)C)c3)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][C][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | Cc1nccc6n1.N16CCN4CC1.c17cnn8c1.C45=O.C8(C)C.N57 |
1933019 | COc1ccc2c(c1)CN(C(=O)Nc1ccncc1F)CC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][C][Ring1][P] | c15ccc2c(c1)CN3CC2.c16ccncc1F.C34=O.CO5.N46 |
1933021 | O=C(NCc1nc(C2CC2)cs1)Nc1ccncc1F | [O][=C][Branch1][P][N][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][F] | c16ccncc1F.c17nc8cs1.O=C34.C18CC1.N35.C57.N46 |
1933022 | O=C(Nc1ccncc1F)N1CCc2c(F)cc(F)cc2C1 | [O][=C][Branch1][O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][F][N][C][C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][Ring1][N] | N14CCc2c(F)cc(F)cc2C1.c15ccncc1F.O=C34.N35 |
1933023 | CCn1nc(C)c(NC(=O)N2CCN(c3ccnc(C)n3)CC2)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=N][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][C] | n18nc(C)c7c1C.N15CCN6CC1.c16ccnc(C)n1.C45=O.CC8.N47 |
1933024 | CCS(=O)(=O)c1cc(F)ccc1NC(=O)NC1CC1C | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C] | CCS(=O)(=O)c1cc(F)ccc14.C15CC1C.C23=O.N24.N35 |
1933025 | O=C(NCCc1cccc(O)c1)Nc1nc2ccccn2n1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c16nc2ccccn2n1.c17cccc(O)c1.O=C34.C5C7.N35.N46 |
1933026 | COC(CNC(=O)Nc1nc2ccccn2n1)c1ccccc1 | [C][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2ccccn2n1.c18ccccc1.C58C6.C34=O.CO5.N36.N47 |
1933027 | CCCC1CC1NC(=O)Nc1nc2ccc(F)cn2n1 | [C][C][C][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][N][=C][C][=C][C][Branch1][C][F][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2] | c15nc2ccc(F)cn2n1.C17CC16.CCC7.C34=O.N36.N45 |
1933028 | CC(C)(C)CC(NC(=O)N1CCC(n2cncn2)CC1)C(F)(F)F | [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][C][Ring1][O][C][Branch1][C][F][Branch1][C][F][F] | CC(C)(C)CC5C(F)(F)F.N14CCC6CC1.n16cncn1.C34=O.N35 |
1933029 | COC(=O)C(C)Cc1ccc(NC(=O)NC2CC2C)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][=C][Ring1][=C] | c18ccc6cc1.C3(=O)C(C)C8.C17CC1C.C45=O.CO3.N46.N57 |
1933030 | Cc1nccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][N][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] | Cc1nccc7n1.N17CCN4CC1.c18ccccc1.C6CC8.C45=O.N56 |
1933031 | Cc1nccc(N2CCN(C(=O)NCC#Cc3ccccc3)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][N][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] | C6C#Cc1ccccc1.Cc1nccc7n1.N17CCN4CC1.C45=O.N56 |
1933032 | Cc1nccc(N2CCN(C(=O)NCC3Cc4ccccc43)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][Branch2][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] | C7C1Cc2ccccc21.Cc1nccc8n1.N18CCN5CC1.C56=O.N67 |
1933033 | Cc1nccc(N2CCN(C(=O)NCCc3c(C)noc3C)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] | Cc1nccc7n1.N17CCN4CC1.c18c(C)noc1C.C45=O.C6C8.N56 |
1933034 | O=C(NCC(O)Cc1ccc(F)cc1F)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(F)cc1F.c14ccccc1.C3C(O)C5.O=C24.N23 |
1933035 | O=C(NCC(O)Cc1ccc(F)cc1F)c1ccc(O)cc1F | [O][=C][Branch2][Ring1][Ring2][N][C][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c14ccc(O)cc1F.C3C(O)C5.O=C24.N23 |
1933036 | Cc1nc(C)c(C(=O)NCCCN(C)c2ccccc2)o1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | Cc1nc(C)c7o1.c16ccccc1.C4CC5.C37=O.N56C.N34 |
1933037 | CCN1CC(COC(=O)c2nc(C)oc2-c2ccccc2)CC1=O | [C][C][N][C][C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1][=O] | N16CC7CC1=O.c15nc(C)oc18.c18ccccc1.C35=O.CC6.C47.O34 |
1933038 | Cc1nc(C(=O)OCC2CNC(=O)C2)c(-c2ccccc2)o1 | [C][C][=N][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Branch1] | Cc1nc5c7o1.C16CNC(=O)C1.c17ccccc1.C35=O.O34.C46 |
1933039 | CC(=O)c1cc(C(=O)NCCCN(C)c2ccccc2)[nH]n1 | [C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring2][Ring1][Ring1] | c17cc8[nH]n1.c16ccccc1.C4CC5.CC7=O.C38=O.N56C.N34 |
1933040 | Cc1c[nH]c(=NC(=O)c2scnc2C2CCCC2)[nH]1 | [C][C][=C][NH1][C][=Branch2][Ring1][Ring2][=N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][NH1][Ring2][Ring1][C] | Cc1c[nH]c(=NC3=O)[nH]1.c13scnc14.C14CCCC1 |
1933043 | Cc1nnc(SCC2CCc3ccccc3C2)n1CC(N)=O | [C][C][=N][N][=C][Branch1][P][S][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][Ring1][P][C][C][Branch1][C][N][=O] | C16CCc2ccccc2C1.Cc1nnc7n15.C5C(N)=O.S47.C46 |
1933044 | CC1CCCC(CSc2nnc(CO)n2C2CC2)C1 | [C][C][C][C][C][C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Ring1][C][O][N][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C] | CC1CCCC5C1.c17nnc4n16.C16CC1.C35.S37.C4O |
1933045 | Cc1cc(-c2ccc(N3CCCCCC3)nn2)[nH]n1 | [C][C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][=N][Ring1][=N][NH1][N][=Ring2][Ring1][C] | c15ccc4nn1.N14CCCCCC1.Cc1cc5[nH]n1 |
1933046 | Cc1cccnc1C(NC(=O)c1cn2cc(Cl)ccc2n1)C1CC1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][C][C][Ring1][Ring1] | c15cn2cc(Cl)ccc2n1.Cc1cccnc16.C467.C35=O.C17CC1.N34 |
1933047 | COc1ccc(-c2cncc(C(=O)N3CCCC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.c17cncc6n1.N14CCCC1.C46=O.CO5 |
1933048 | O=C(C1COCCO1)N1CCC(Oc2cccc(Cl)c2)CC1 | [O][=C][Branch1][=Branch2][C][C][O][C][C][O][Ring1][=Branch1][N][C][C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=C] | N13CCC4CC1.c15cccc(Cl)c1.C16COCCO1.O=C36.O45 |
1933049 | O=S(=O)(Cc1noc2ccccc12)N1CCC2OCCCC2C1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][O][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCC2OCCCC2C1.c14noc2ccccc12.O=S3(=O)C4 |
1933050 | CC(C)c1ccc(C(=O)Nc2ncn(CC(=O)N(C)C)n2)s1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][N][=C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][=Ring1][O][S][Ring2][Ring1][Ring1] | c18ccc6s1.c15ncn7n1.C7C4=O.CC8C.C36=O.N4(C)C.N35 |
1933051 | CNC(=O)Cn1cnc(NC(=O)c2ccc(C(C)C)s2)n1 | [C][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][=N][Ring1][S] | n17cnc5n1.c16ccc8s1.C3(=O)C7.C46=O.C8(C)C.CN3.N45 |
1933052 | O=C(Nc1cncnc1N1CCCC1)c1cccc2ncccc12 | [O][=C][Branch1][P][N][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ncccc12.c15cncnc14.N14CCCC1.O=C36.N35 |
1933053 | COC(=O)c1ccc(C(=O)NCCCN2CCCC2=O)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][S][Ring1][P] | c16ccc7s1.N18CCCC1=O.C5CC8.C36=O.C47=O.CO3.N45 |
1933054 | O=C(Nc1cncnc1N1CCCC1)C1CCCOC1 | [O][=C][Branch1][P][N][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][C][C][O][C][Ring1][=Branch1] | c14cncnc13.C15CCCOC1.N13CCCC1.O=C25.N24 |
1933055 | CCC(CO)(CO)NC(=O)c1cc(F)cc2cccnc12 | [C][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15cc(F)cc2cccnc12.CCC4(CO)CO.C35=O.N34 |
1933057 | O=C(NCCCC1CCCCO1)Nc1ccc(-n2ccnn2)cc1 | [O][=C][Branch1][=N][N][C][C][C][C][C][C][C][C][O][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c16ccc8cc1.C17CCCCO1.n18ccnn1.C5CC7.O=C34.N35.N46 |
1933059 | CC1CC(C)(C)CC(CO)(NC(=O)c2csnn2)C1 | [C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][Ring1][C][O][Branch1][=N][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][Ring2][Ring1][C] | CC1CC46CC(C)(C)C1.c15csnn1.C35=O.C6O.N34 |
1933060 | O=C(Cc1noc(CC2(O)CCCC2)n1)NCc1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][C][C][=N][O][C][Branch1][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][=N][Ring1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15noc6n1.C17(O)CCCC1.c18ccccc1.O=C3C5.C67.N34.C48 |
1933061 | Cc1nc(Cc2noc(CC3(O)CCCCC3)n2)no1 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][C][=N][O][C][Branch1][=N][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][=N][Ring1][=N][=N][O][Ring2][Ring1][Ring1] | C17(O)CCCCC1.Cc1nc4no1.c15noc6n1.C45.C67 |
1933062 | COc1ccc(-c2noc(CC3(O)CCCC3)n2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][O][C][Branch1][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][=N][Ring1][N][C][=N][Ring2][Ring1][C] | c14ccc7cn1.c17noc5n1.C16(O)CCCC1.CO4.C56 |
1933063 | CS(=O)(=O)c1ccc(-c2noc(CC3(O)CCCCC3)n2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][O][C][Branch1][=N][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | CS(=O)(=O)c1ccc6cc1.C15(O)CCCCC1.c16noc4n1.C45 |
1933065 | CC(C)CN(C(=O)CCc1ccsc1)C1CC1 | [C][C][Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | C2(=O)CC5.c15ccsc1.CC(C)C3.N234.C14CC1 |
1933066 | O=C(c1ccc(F)c(Cl)c1F)N1CCCC(N2CCCC2=O)C1 | [O][=C][Branch1][S][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F][N][C][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][Ring1][N] | c14ccc(F)c(Cl)c1F.N13CCCC5C1.N15CCCC1=O.O=C34 |
1933068 | CC(C)(C)CCOC(=O)C1CCN(C(=O)C2CC2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C16CCN4CC1.CC(C)(C)CC5.C36=O.C47=O.C17CC1.O35 |
1933069 | CC(C)c1cc(C(=O)OCc2cncs2)nn1C | [C][C][Branch1][C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][O][C][C][=C][N][=C][S][Ring1][Branch1][=N][N][Ring1][=C][C] | c16cc5nn1C.c17cncs1.CC6C.C35=O.O34.C47 |
1933070 | CC(C)c1ncc(C(=O)OCc2cncs2)s1 | [C][C][Branch1][C][C][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][=C][N][=C][S][Ring1][Branch1][S][Ring1][=C] | c16ncc5s1.c17cncs1.CC6C.C35=O.O34.C47 |
1933071 | CCS(=O)(=O)c1cccc(NC2C3CCOC3C23CCC3)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][Ring1][Ring2][=C][Ring1][P] | CCS(=O)(=O)c1cccc4c1.C15C2CCOC2C12CCC2.N45 |
1933072 | Cc1cn2c(CN3CCCC4(C3)OCCO4)c(C)nc2s1 | [C][C][=C][N][C][Branch2][Ring1][C][C][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][=C][Branch1][C][C][N][=C][Ring1][P][S][Ring2][Ring1][Ring2] | Cc1cn2c6c(C)nc2s1.N15CCCC2(C1)OCCO2.C56 |
1933073 | COc1ccccc1CN1CCN(C(C)=O)CC1(C)C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][Branch1][C][C][C] | N14CCN2CC1(C)C.c13ccccc15.C2(C)=O.CO3.C45 |
1933074 | CCCn1cc(CN2CCN(C(C)=O)CC2(C)C)cn1 | [C][C][C][N][C][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=N][Ring1][P] | N14CCN3CC1(C)C.n15cc6cn1.CCC5.C3(C)=O.C46 |
1933075 | CC(=O)Nc1ccc(CN2CCN(C(C)=O)CC2(C)C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][C] | N15CCN4CC1(C)C.c16ccc7cc1.CC3=O.C4(C)=O.N36.C57 |
1933076 | COc1ccc(CN2CCN(C(C)=O)CC2(C)C)cc1O | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][C][O] | N15CCN3CC1(C)C.c14ccc6cc1O.C3(C)=O.CO4.C56 |
1933077 | Cc1nn(C)cc1CN1CCN(CC(F)(F)F)CC1(C)C | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O][Branch1][C][C][C] | N12CCN3CC1(C)C.Cc1nn(C)cc14.C3C(F)(F)F.C24 |
1933078 | CCn1cc(NC(C)C(=O)NCc2ccc(F)cc2)cn1 | [C][C][N][C][=C][Branch2][Ring1][#Branch1][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Ring1] | c18ccc(F)cc1.n17cc6cn1.C4(C)C3=O.CC7.N46.N35.C58 |
1933079 | CCn1cc(NC(C)C(=O)NCc2ccccc2)cn1 | [C][C][N][C][=C][Branch2][Ring1][Ring2][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C] | n17cc6cn1.c18ccccc1.C4(C)C3=O.CC7.N46.N35.C58 |
1933080 | CCn1cc(NC(C)C(=O)NCc2cccs2)cn1 | [C][C][N][C][=C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=N][Ring1][P] | n17cc6cn1.C4(C)C3=O.c18cccs1.CC7.N46.N35.C58 |
1933081 | CC(Nc1cnn(C(C)(C)C)c1)C(=O)NCc1ccccc1 | [C][C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cnn6c1.c17ccccc1.CC3C2=O.C6(C)(C)C.N35.N24.C47 |
1933082 | Cc1nccn1-c1ccc(CNC(=O)NC2Cc3ccccc3C2)cn1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=N][Ring2][Ring1][Ring2] | C17Cc2ccccc2C1.c19ccc8cn1.Cc1nccn19.C45=O.C68.N46.N57 |
1933083 | O=C(NCCn1c(=O)oc2ccccc21)NC1Cc2ccccc2C1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | n17c(=O)oc2ccccc21.C16Cc2ccccc2C1.O=C34.C5C7.N35.N46 |
1933084 | CC(NC(=O)NC1Cc2ccccc2C1)c1cnn(C)c1 | [C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C16Cc2ccccc2C1.c17cnn(C)c1.CC57.C34=O.N35.N46 |
1933085 | COc1cccc(CS(=O)(=O)Nc2ccc(Cl)cn2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][C] | c13cccc6c1.c15ccc(Cl)cn1.C6S4(=O)=O.CO3.N45 |
1933086 | CC(CNC(=O)NC1Cc2ccccc2C1)CN1CCOCC1 | [C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][N][C][C][O][C][C][Ring1][=Branch1] | C17Cc2ccccc2C1.N16CCOCC1.CC(C5)C6.C34=O.N35.N47 |
1933087 | Cc1cc(C)[nH]c(=NS(=O)(=O)Cc2ccccc2F)c1 | [C][C][C][=C][Branch1][C][C][NH1][C][=Branch2][Ring1][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring2][Ring1][Ring1] | Cc1cc(C)[nH]c(=NS(=O)(=O)C3)c1.c13ccccc1F |
1933089 | COc1cc[nH]c(=NS(=O)(=O)Cc2cccc(C)c2)c1 | [C][O][C][C][=C][NH1][C][=Branch2][Ring1][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][C] | c13cc[nH]c(=NS(=O)(=O)C4)c1.c14cccc(C)c1.CO3 |
1933090 | Cc1cccc(CS(=O)(=O)Nc2ncccc2Cl)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][C] | Cc1cccc5c1.c14ncccc1Cl.C5S3(=O)=O.N34 |
1933091 | Cc1cccc(CS(=O)(=O)Nc2nc(C)cc(C)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c14nc(C)cc(C)n1.Cc1cccc5c1.C5S3(=O)=O.N34 |
1933093 | CCOc1cc(C(=O)NCCc2ccc(C)nc2)cc(Cl)c1O | [C][C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][O] | c15cc7cc(Cl)c1O.c18ccc(C)nc1.C37=O.C6C8.CC4.O45.N36 |
1933094 | CCn1c(C)cc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c1C | [C][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1][C] | n17c(C)cc6c1C.c15ccc8cc1.c18ncn(C)n1.C46=O.CC7.N45 |
1933097 | CCOC(=O)c1[nH]ncc1CNc1cnc2ccccc2c1 | [C][C][O][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16cnc2ccccc2c1.c17[nH]ncc18.C37=O.CC4.O34.C58.N56 |
1933099 | CCOC(=O)c1cccnc1N1CCCC(n2cccn2)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Ring1][O] | c16cccnc15.N15CCCC7C1.n17cccn1.C36=O.CC4.O34 |
1933100 | CN1CCN(C(=O)c2c[nH]c3ccccc3c2=O)C(C)(C)C1=O | [C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | c15c[nH]c2ccccc2c1=O.CN1CCN4C(C)(C)C1=O.C45=O |
1933102 | O=C(Nc1nnc2ccccn12)NC1Cc2ccccc2C1 | [O][=C][Branch1][#C][N][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | c15nnc2ccccn12.C16Cc2ccccc2C1.O=C34.N35.N46 |
1933103 | CCn1ccc2ccc(NC(=O)NCCc3ccnn3C)cc21 | [C][C][N][C][=C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | n18ccc2ccc7cc21.c19ccnn1C.C45=O.C6C9.CC8.N47.N56 |
1933104 | Cc1noc(C)c1CNC(=O)Nc1ccc(Cl)cc1OC(F)F | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F] | c16ccc(Cl)cc14.Cc1noc(C)c17.O4C(F)F.C23=O.C57.N25.N36 |
1933105 | Cn1cc(NC(=O)Nc2ccc(Cl)cc2OC(F)F)cn1 | [C][N][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F][C][=N][Ring2][Ring1][Ring2] | c17ccc(Cl)cc15.Cn1cc6cn1.O5C(F)F.C34=O.N36.N47 |
1933107 | Cc1ccn(Cc2nc3cc(C(F)(F)F)ccc3o2)c(=O)c1C#N | [C][C][C][=C][N][Branch2][Ring1][=Branch2][C][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][O][Ring1][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][C][#N] | Cc1ccn4c(=O)c1C#N.c15nc2cc6ccc2o1.C6(F)(F)F.C45 |
1933108 | Cc1ncccc1C(=O)Nc1c(C)noc1-c1ccccc1 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ncccc14.c13c(C)noc15.c15ccccc1.C24=O.N23 |
1933109 | OC1CCc2cnn(Cc3cnn(-c4ccccc4)n3)c2C1 | [O][C][C][C][C][C][=N][N][Branch2][Ring1][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=Ring1][P][C][Ring2][Ring1][Branch1] | OC1CCc2cnn5c2C1.c16cnn7n1.c17ccccc1.C56 |
1933110 | NC(=O)c1ccc(OCCc2ccc3c(c2)CCO3)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc2c(c1)CCO2.c16ccc5cc1.NC6=O.C4C7.O45 |
1933111 | NC(=O)c1cccc(OCCc2ccc3c(c2)CCO3)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C] | c17ccc2c(c1)CCO2.c16cccc5c1.NC6=O.C4C7.O45 |
1933112 | CCOC1CC(NC(=O)NCc2ccco2)C1OC | [C][C][O][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=C][O][C] | C16CC9C17.c1%10ccco1.C34=O.CC5.O56.N39.N48.C8%10.O7C |
1933113 | Cc1ncsc1COC(=O)c1ccc(N2CCCC2)nc1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][O] | c16ccc5nc1.Cc1ncsc17.N15CCCC1.C36=O.C47.O34 |
1933114 | O=C(OCCc1cccnc1)c1ccc(N2CCCC2)nc1 | [O][=C][Branch1][N][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][O] | c16ccc5nc1.c17cccnc1.N15CCCC1.O=C36.C4C7.O34 |
1933116 | CCS(=O)(=O)c1cccc(CC(=O)NC2CCc3ccccc32)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | CCS(=O)(=O)c1cccc5c1.N4C1CCc2ccccc21.C5C4=O |
1933117 | N#CC(NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C1CC1 | [N][#C][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1] | S3(=O)(=O)c1cc(Cl)c(N)c(Cl)c1.N#CC24.C14CC1.N23 |
1933118 | C#CCN(C(=O)Cc1cccc(S(=O)(=O)CC)c1)C1CCCC1 | [C][#C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Ring1][O][C][C][C][C][C][Ring1][Branch1] | c15cccc(S(=O)(=O)CC)c1.C14CCCC1.C2(=O)C5.C#CC3.N234 |
1933120 | CCN(C(=O)N1CCN(C(=O)c2ccoc2)CC1)C(C)C | [C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][=N][C][Branch1][C][C][C] | N14CCN5CC1.c18ccoc1.N367.C34=O.C58=O.C7(C)C.CC6 |
1933121 | CCN(C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)C(C)C | [C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][NH1][Ring1][=Branch2][C][C][Ring1][#C][C][Branch1][C][C][C] | N14CCC8CC1.c18nc7c[nH]1.C7(F)(F)F.N356.C34=O.C6(C)C.CC5 |
1933123 | CCS(=O)(=O)c1cccc(CC(=O)N(C)Cc2ccccc2C)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | CCS(=O)(=O)c1cccc5c1.c16ccccc1C.C5C3=O.N34C.C46 |
1933125 | CCSc1cc(Cl)ccc1C(=O)NCc1ccnn1C | [C][C][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Ring1][Branch1][C] | c17cc(Cl)ccc15.c16ccnn1C.C25=O.CC4.S47.N23.C36 |
1933126 | Cc1noc(-c2ccccc2)c1C(=O)NCCC(O)c1ccccc1 | [C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1noc7c15.c17ccccc1.c16ccccc1.C4CC6O.C35=O.N34 |
1933127 | O=C(NC1(c2ncon2)CCOCC1)c1ccc2c(c1)CCC2 | [O][=C][Branch2][Ring1][Ring1][N][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][C][C][O][C][C][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | c15ccc2c(c1)CCC2.C146CCOCC1.c16ncon1.O=C35.N34 |
1933128 | COC(=O)CCCC(=O)Nc1cc(C)cc2cccnc12 | [C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15cc(C)cc2cccnc12.C3(=O)CCCC4=O.CO3.N45 |
1933130 | COc1c(CNC(=O)NCc2ccc3ccccc3c2)c(C)nn1C | [C][O][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][C][=N][N][Ring2][Ring1][=Branch1][C] | c1%10ccc2ccccc2c1.c16c9c(C)nn1C.C45=O.CO6.C79.N47.N58.C8%10 |
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