ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
19788 | COc1cc(C)c(S(=O)(=O)n2nc(C)cc2C)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P][C] | c13cc(C)c(S(=O)(=O)n2nc(C)cc2C)cc1C.CO3 |
19789 | CCNc1nc(NCC)nc(Oc2ccc(=O)n(C)n2)n1 | [C][C][N][C][=N][C][Branch1][Ring2][N][C][C][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][Ring2][Ring1][C] | c17nc3nc8n1.c14ccc(=O)n(C)n1.CC5.N57.N68.C6C.O34 |
19790 | O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | c15ccc(F)cc1.C16CCN4CC1.c17ccccc1.O=C36.C47=O.N35 |
19791 | Cc1cc(C)c(S(=O)(=O)NCc2ccco2)cc1C | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][C] | Cc1cc(C)c(S4(=O)=O)cc1C.c15ccco1.N34.C35 |
19792 | COC(=O)c1sc2nc3c(cc2c1N)COC(C)(C)C3 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][N] | c15sc2nc3c(cc2c1N)COC(C)(C)C3.C45=O.CO4 |
19793 | Cc1nnc2c(N3CC(C)CC(C)C3)nc3ccccc3n12 | [C][C][=N][N][=C][C][Branch1][#C][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | Cc1nnc2c4nc3ccccc3n12.N14CC(C)CC(C)C1 |
19794 | NC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][C][Ring2][Ring1][C] | C15CCN4CC1.c16ccc(Cl)cc1.c14nc6cs1.NC5=O |
19795 | CC12CCC(C(=O)NCCc3ccccc3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch1][C][C][Ring1][P][=O][C][Ring2][Ring1][Ring1][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.c17ccccc1.C46=O.C5C7.N45 |
19797 | Cc1c(N(C)C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C] | Cc1c4c(=O)n6n1C.c16ccccc1.c15ccco1.N34C.C35=O |
19798 | Cc1ccc(OCC(=O)Nc2nc(C)cc(C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c16nc(C)cc(C)n1.Cc1ccc5cc1.C4C3=O.O45.N36 |
19799 | c1ccc(Cn2ncc3c(NCc4ccco4)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][N][=C][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | n17ncc2c6ncnc21.c1ccc9cc1.c18ccco1.C79.N56.C58 |
19801 | COc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1Cl | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Cl] | c13cc(Cl)c(S5(=O)=O)cc1Cl.c16cccnc1.CO3.N45.C46 |
19802 | O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | c15ccccc1Cl.C16CCN4CC1.c17ccccc1.O=C36.C47=O.N35 |
19803 | CCN(CC)S(=O)(=O)c1ccc(C)c(C)c1C | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C] | S4(=O)(=O)c1ccc(C)c(C)c1C.N234.CC2.C3C |
19804 | CC12CCC(C(=O)NCc3ccco3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][Branch1][=Branch1][O][C][Ring1][#C][=O][C][Ring1][P][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c17ccco1.C46=O.N45.C57 |
19805 | O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.C15CCN4CC1.N13CCOCC1.O=C35 |
19806 | Cc1cccc(C2Nc3ccccc3C(=O)N2c2ccccc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][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][=N][Ring2][Ring1][#Branch1] | C15Nc2ccccc2C(=O)N14.Cc1cccc5n1.c14ccccc1 |
19807 | CC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C126CCC(C)(C(=O)C1)C2(C)C.c17ccc5cc1.CC7=O.C46=O.N45 |
19808 | Cn1c(=O)c2c(-c3ccccc3)n(N)cc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][N][C][=C][Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2c4n(N)cc2n(C)c1=O.c14ccccc1 |
19809 | CCCC(=O)N1CC2(CC)CN(C(=O)CCC)CC(CC)(C1)C2=O | [C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Ring1][C][C][Branch1][Ring2][C][Ring1][P][C][Ring1][S][=O] | N13CC25CN4CC6(C1)C2=O.CCCC3=O.C4(=O)CCC.C5C.C6C |
19810 | COc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][Cl] | c13cc(Cl)c(S4(=O)=O)cc1Cl.N14CCOCC1.CO3 |
19812 | CC1(C)C(=O)OC(C#Cc2ccccc2)C(C)(C)C1=O | [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C][=O] | CC1(C)C(=O)OC(C#Cc2ccccc2)C(C)(C)C1=O |
19814 | O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.C16CCN4CC1.C15CCCC1.O=C36.N35 |
19815 | COC(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1] | N16C(=O)c2ccccc2S1(=O)=O.c15ccc7cc1.C45=O.CO4.C67 |
19816 | O=C(CCC1CCCC1)Nc1ccc(Cl)cn1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c13ccc(Cl)cn1.O=C2CC4.C14CCCC1.N23 |
19817 | CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S5(=O)(=O)c1ccccc1.C16CCN5CC1.CC4(C)C.C36=O.N34 |
19818 | COc1ccc2oc(=O)c(C(=O)Nc3ccc(O)cc3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2oc(=O)c7cc2c1.c16ccc(O)cc1.C47=O.CO5.N46 |
19819 | O=C1CC(C(=O)Nc2cccc3ccccc23)C2(CCCCC2)O1 | [O][=C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][#Branch1] | O=C1CC6C2(CCCCC2)O1.c15cccc2ccccc12.C46=O.N45 |
19820 | CC1(C)CC2CC(C)(CN2C(=O)C23CCC(C)(C(=O)O2)C3(C)C)C1 | [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch2][Ring1][S][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][Ring2][Ring1][#Branch1] | CC1(C)CC2CC(C)(CN24)C1.C125CCC(C)(C(=O)O1)C2(C)C.C45=O |
19821 | Cc1ccc2ncc(NC(=O)c3ccc(F)cc3)c(=O)n2c1 | [C][C][C][=C][C][=N][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][P][C][=Ring2][Ring1][Branch1] | Cc1ccc2ncc5c(=O)n2c1.c16ccc(F)cc1.C46=O.N45 |
19822 | O=C1CC(C(=O)Nc2ccc(Cl)cc2)C2(CCCCC2)O1 | [O][=C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | O=C1CC5C2(CCCCC2)O1.c14ccc(Cl)cc1.C35=O.N34 |
19823 | CCc1nnc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][=N][Ring1][=C][S][Ring2][Ring1][=Branch1] | c17cc2c([nH]c3ccccc32)c(C)n1.c18nnc6s1.C57=O.CC8.N56 |
19824 | COc1ccc(NC(=O)C2CC(=O)OC23CCCCC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | C17CC(=O)OC12CCCCC2.c15ccc6cc1.C47=O.CO5.N46 |
19825 | CC1CCN(C(=O)C23CCC(C)(C(=O)O2)C3(C)C)CC1 | [C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1] | C125CCC(C)(C(=O)O1)C2(C)C.CC1CCN4CC1.C45=O |
19827 | O=C1CC(C(=O)Nc2ccc3ccccc3c2)C2(CCCCC2)O1 | [O][=C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][#Branch1] | O=C1CC6C2(CCCCC2)O1.c15ccc2ccccc2c1.C46=O.N45 |
19828 | CCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][C][C][N][C][Branch1][=Branch2][S][C][C][C][Branch1][C][C][C][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3CC(C)C.CCC4.S35 |
19829 | COc1cc(Cl)c(S(=O)(=O)Nc2ccccn2)cc1Cl | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c13cc(Cl)c(S4(=O)=O)cc1Cl.c15ccccn1.CO3.N45 |
19830 | CCOC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][Branch1][C][C][C] | c17nc2c(c(=O)[nH]c(=O)n2C)n16.C3(=O)C5C.C6(C)C.CC4.O34.S57 |
19831 | Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][Branch1][C][C][C][N][=Ring2][Ring1][=Branch1] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.Cc1cc(C)n5n1.C4C(C)C |
19832 | COC(=O)C1=C(C)NC(=O)CC1c1ccccc1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C2(=O)C1=C(C)NC(=O)CC14.c14ccccc13.CO2.O3C |
19833 | Cc1cccc(C)c1NC(=O)c1ccc(OC(C)C)cc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | Cc1cccc(C)c15.c16ccc4cc1.C26=O.C3(C)C.N25.O34 |
19834 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(C(=O)OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15ccc4cc1.C34=O.CO2.O3C |
19835 | COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OCCO2 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14cc7ccc16.C36=O.CO4.S7C.N35 |
19836 | Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1Br | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][Br] | Cc1cc(C)c(S3(=O)=O)cc1Br.N13CCOCC1 |
19837 | CC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=C] | c16nnc7s1.C5C3=O.C4(C)(C)C.CC2=O.N26.S57.N34 |
19838 | O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C1CC1 | [O][=C][Branch2][Ring2][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | c16ccc(S5(=O)=O)cc1.N15CCc2ccccc21.O=C47.C17CC1.N46 |
19839 | Cc1cc(C)n(CC(=O)n2c(C)c(C)c3ccccc32)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][=Ring2][Ring1][Ring2] | C4C(=O)n1c(C)c(C)c2ccccc21.Cc1cc(C)n4n1 |
19841 | Cc1ccc(S(=O)(=O)Nc2ccncc2)c(C)c1C | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P][C] | Cc1ccc(S3(=O)=O)c(C)c1C.c14ccncc1.N34 |
19842 | Cc1cc(Br)cc(C)c1NC(=O)CC(C)C | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C] | Cc1cc(Br)cc(C)c13.C2(=O)CC(C)C.N23 |
19843 | CCN(CC)S(=O)(=O)c1cc(C)c(C)cc1C | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | S4(=O)(=O)c1cc(C)c(C)cc1C.N234.CC2.C3C |
19844 | CCN(CC)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][Cl] | S5(=O)(=O)c1cc(Cl)c2cc1Cl.N345.CC3.C4C.O2C |
19847 | CNC(=O)CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O | [C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c15c(C)n(C)n6c1=O.C3(=O)CCC4=O.c16ccccc1.CN3.N45 |
19848 | Cc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1C | [C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][S][C] | Cc1ccc(S3(=O)=O)c(C)c1C.N13CCOCC1 |
19849 | Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][S] | Cc1ccccc17.N13CCC6CC1.c15cccc(F)c1.C37=O.C46=O.N45 |
19851 | Cc1ccnc(NS(=O)(=O)c2ccc(C)c(C)c2C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | S3(=O)(=O)c1ccc(C)c(C)c1C.Cc1ccnc4c1.N34 |
19853 | Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc6cc1.C17CCN5CC1.c18ccc(F)cc1.C47=O.C58=O.N46 |
19854 | Cc1cc(C)c(S(=O)(=O)NCc2ccccn2)cc1C | [C][C][=C][C][Branch1][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][Ring2][Ring1][C][C] | Cc1cc(C)c(S4(=O)=O)cc1C.c15ccccn1.N34.C35 |
19855 | COc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14ccc5cc1.C16CC(=O)N7C1.C36=O.C7(C)C.CO4.N35 |
19856 | COc1c(Cl)cccc1NC(=O)c1cccs1 | [C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c13c4cccc1Cl.c15cccs1.C25=O.CO3.N24 |
19857 | CC(=O)Nc1ccccc1NC(=O)CCC1CCCCC1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1] | c14ccccc15.C16CCCCC1.C3(=O)CC6.CC2=O.N24.N35 |
19858 | Cn1c(SCC(=O)NC2CC2)nnc1-c1cccc(Cl)c1 | [C][N][C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][N][=C][Ring1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cn1c6nnc17.c17cccc(Cl)c1.C4C3=O.C15CC1.S46.N35 |
19859 | CCOC(=O)N1CCN(C(=O)C(CC)c2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | N14CCN5CC1.C5(=O)C7CC.c17ccccc1.C34=O.CC6.O36 |
19861 | Cc1cc(OCC(=O)N(C)C)cc(C)c1Br | [C][C][=C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][=C][Br] | Cc1cc4cc(C)c1Br.C3C2=O.N2(C)C.O34 |
19862 | CCOc1ccc(C2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][Ring1] | C16NC(=O)N(C)C(C)=C1C3=O.c15ccc6cc1.CC4.O45.O3C |
19865 | Cc1cc(OCC(=O)NCC2CCCO2)cc(C)c1Br | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][Br] | Cc1cc5cc(C)c1Br.C17CCCO1.C4C3=O.O45.N36.C67 |
19866 | COc1ccccc1CC(=O)Nc1ccccc1NC(C)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O] | c14ccccc17.c15ccccc16.C7C2=O.C3(C)=O.CO4.N25.N36 |
19867 | CCC(C(=O)N1CCC(C(N)=O)CC1)c1ccccc1 | [C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | N12CCC3CC1.CCC4C2=O.c14ccccc1.C3(N)=O |
19868 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC)c(OC)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][Ring1][O][C][=C][Ring1][O] | C2(=O)C1=C(C)NC(=O)NC17.c17ccc5c6c1.CC3.O23.O45.C4C.O6C |
19870 | COc1cc(NC(=O)COc2ccccc2OC)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15cc8cc9c1.c16ccccc17.C3(=O)C4.CO5.N39.O46.O7C.O8C |
19872 | COc1cc(OC)cc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][=C][Ring2][Ring1][=Branch1] | c15cc6cc9c1.c18ccc7cc1.C4C(N)=O.C39=O.CO5.O6C.N38.O47 |
19874 | Brc1cccc(OCCn2ccnc2)c1 | [Br][C][=C][C][=C][C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][=C] | Brc1cccc4c1.n15ccnc1.C3C5.O34 |
19875 | Cc1cc(Br)ccc1OCC(=O)NCC1CCCO1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | Cc1cc(Br)ccc14.C16CCCO1.C3C2=O.O34.N25.C56 |
19876 | Cc1nnc(SCC(=O)N2CCOCC2)n1C | [C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][#C][C] | Cc1nnc5n1C.N13CCOCC1.C4C3=O.S45 |
19878 | COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)ccc1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C] | C2(=O)C1=C(C)NC(=O)NC14.c14cc(Cl)ccc13.CO2.O3C |
19880 | CCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc7cc1.c16cc(C)ccn1.C37=O.CC4.O45.N36 |
19881 | Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1 | [C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc8n17.c16ccccc1.c17ccccc1.C5C3=O.S58.N34.C46 |
19882 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13ccc(Cl)cc1.CO2 |
19883 | c1ccc(COc2ccc(OCCn3ccnc3)cc2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.c1ccc9cc1.n18ccnc1.C5C8.C49.O46.O57 |
19884 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)N(C)C(=O)NC15.c15ccc4cc1.CC3.O23.O4C |
19885 | COC(=O)C1=C(C)NC(=O)NC1c1cc(OC)c(OC)cc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Cl] | C2(=O)C1=C(C)NC(=O)NC15.c15cc3c4cc1Cl.CO2.O3C.O4C |
19887 | O=C(Nc1ccccc1)Nc1nnc(C2CCCCC2)s1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O] | c16ccccc1.c15nnc7s1.C17CCCCC1.O=C34.N36.N45 |
19888 | COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.c16nnc8s1.C18CCCCC1.C47=O.CO5.N46 |
19889 | CC(C)COC(=O)Nc1nnc(C2CCCCC2)s1 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O] | c16nnc7s1.C17CCCCC1.CC(C)C5.C34=O.O35.N46 |
19890 | CCC(=O)Nc1nnc(-c2ccc(Br)cc2)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][N] | c15ccc(Br)cc1.c14nnc5s1.CCC3=O.N34 |
19891 | Cc1cc(OCC(N)=O)cc(C)c1Br | [C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][Branch1][C][C][=C][Ring1][N][Br] | Cc1cc3cc(C)c1Br.C2C(N)=O.O23 |
19893 | CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N] | S4(=O)(=O)c1ccc6cc1.CN4C.C36=O.C15CC1.N35 |
19894 | Cc1ccc(F)c(NS(=O)(=O)Cc2ccccc2)c1 | [C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(F)c4c1.c15ccccc1.S3(=O)(=O)C5.N34 |
19896 | Cc1cc(Br)ccc1OCC(=O)NC(C)(C)C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | Cc1cc(Br)ccc14.C3C2=O.C5(C)(C)C.O34.N25 |
19897 | Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][Br] | Cc1cc5cc(C)c1Br.c16ccncc1.C4C3=O.O45.N36 |
19898 | COc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][O][C] | c16cc(=O)c2cc(F)ccc2o1.c14ccc6cc15.CO4.O5C |
19899 | CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1ccc6cc1.c17cccc(F)c1.CC3=O.C47=O.N35.N46 |
19900 | Cc1sc(NC(=O)CCc2ccccc2)c(C(N)=O)c1C | [C][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring1][C] | Cc1sc4c5c1C.c16ccccc1.C3(=O)CC6.C5(N)=O.N34 |
19901 | Cc1cc(OCC(=O)N2CCOCC2)cc(C)c1Br | [C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring1][P][Br] | Cc1cc5cc(C)c1Br.N13CCOCC1.C4C3=O.O45 |
19903 | Cc1cc(C)c(NC(=O)c2cccc(F)c2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1cc(C)c4c(C)c1.c15cccc(F)c1.C35=O.N34 |
19904 | Cc1cc(Br)ccc1OCC(=O)NCc1cccnc1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1cc(Br)ccc14.c16cccnc1.C3C2=O.O34.N25.C56 |
19905 | CCOc1ccccc1OCCn1nnc2ccccc21 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n17nnc2ccccc21.c15ccccc16.C4C7.CC3.O35.O46 |
19906 | CN(C(=O)CSc1nnnn1Cc1ccccc1)c1ccccc1 | [C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnnn15.c16ccccc1.c14ccccc1.C2(=O)C3.CN24.S37.C56 |
19908 | CCn1c(SCC(=O)NC2CC2)nnc1-c1ccc(C)cc1 | [C][C][N][C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][N][=C][Ring1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | n16c7nnc18.c18ccc(C)cc1.C4C3=O.C15CC1.CC6.S47.N35 |
19910 | Clc1cc(Br)ccc1OCCn1ccnc1 | [Cl][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][N][C][=C][N][=C][Ring1][Branch1] | Clc1cc(Br)ccc13.n14ccnc1.C2C4.O23 |
19911 | COc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][Ring1][P] | c14cccc6c1.N13CCC5CC1.C36=O.C5(N)=O.CO4 |
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