ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
32106 | CN(c1ccc(C(=O)NC(C)(C)C)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc6cc1.C3(C)(C)C.S4(C)(=O)=O.CN45.C26=O.N23 |
32107 | COc1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl | [C][O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][Cl][=C][Ring1][=C][Cl] | c12ccc(S4(=O)=O)c(Cl)c1Cl.C3(C)C.CO2.N34 |
32108 | CCOC(=O)COc1ccc(S(=O)(=O)NC)cc1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][Ring1][O] | c15ccc(S6(=O)=O)cc1.C2(=O)C4.CC3.O23.O45.N6C |
32110 | COc1c(Br)cc(Br)cc1CO | [C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][O] | c12c3cc(Br)cc1Br.CO2.C3O |
32111 | Cn1nnc2cc(NC(=O)Nc3ccccc3F)ccc21 | [C][N][N][=N][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2] | Cn1nnc2cc6ccc21.c17ccccc1F.C45=O.N46.N57 |
32112 | Cc1ccc(NC(=O)COc2ccccc2CO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c15ccccc17.C3(=O)C4.N36.O45.C7O |
32113 | COc1cc(OC)cc(C(=O)Nc2c(F)cccc2F)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c16c(F)cccc1F.C37=O.CO4.O5C.N36 |
32114 | CCNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 | [C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Ring2][Ring1][C] | S5(=O)(=O)c1c(C)cc(C)cc1C.C16CCN5CC1.C36=O.CC4.N34 |
32115 | O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.N12CCCCC1.O=C2C3.N34 |
32116 | CCCn1nnc(NC(=O)c2ccc(C)c(Cl)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][S] | c15ccc(C)c(Cl)c1.n16nnc4n1.CCC6.C35=O.N34 |
32117 | CCCn1nnc(NC(=O)c2cc(Cl)ccc2Cl)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15cc(Cl)ccc1Cl.n16nnc4n1.CCC6.C35=O.N34 |
32118 | CC1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc(Cl)cc1.CC1CCN3CC1.C3(=O)C4.N45 |
32119 | CCOc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c16ccc9cc1.N19CC8CC1=O.c17ccccn1.C48=O.CC5.O56.N47 |
32120 | COc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.N18CC7CC1=O.c16ccccn1.C47=O.CO5.N46 |
32121 | CC(C)Oc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c16ccc9cc1.N19CC8CC1=O.c17ccccn1.CC5C.C48=O.O56.N47 |
32122 | COc1ccc(N2CC(C(=O)Nc3ncccc3C)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.N18CC7CC1=O.c16ncccc1C.C47=O.CO5.N46 |
32123 | COc1ccc(S(=O)(=O)NCc2ccccn2)cc1C | [C][O][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][C] | c13ccc(S5(=O)=O)cc1C.c16ccccn1.CO3.N45.C46 |
32124 | Cc1ccc(Cl)cc1N1CCN(S(C)(=O)=O)CC1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | Cc1ccc(Cl)cc13.N13CCN2CC1.S2(C)(=O)=O |
32125 | Cc1ccc(SCCC(=O)NCC2CCCO2)cc1 | [C][C][=C][C][=C][Branch1][P][S][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.C5CC3=O.C16CCCO1.S57.N34.C46 |
32126 | CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c16ccccc15.CC(C)C3.C26=O.N23.N45 |
32127 | CC1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | CC1CCN3CC1.c16ccc5cc1.S4(C)(=O)=O.C36=O.N45C |
32128 | CCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c16ccccc15.CCC3C.C26=O.N23.N45 |
32129 | CN(c1ccccc1C(=O)NCCc1ccccc1)S(C)(=O)=O | [C][N][Branch2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc16.c17ccccc1.S4(C)(=O)=O.CN45.C26=O.C3C7.N23 |
32130 | CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1cccc(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | N12CCCCCC1.c15cccc(F)c1.CS4(=O)=O.C3C2=O.N345 |
32131 | CN(c1ccc(C(=O)NCc2ccccn2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc7cc1.c18ccccn1.S5(C)(=O)=O.CN56.C37=O.N34.C48 |
32132 | COc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][P] | c14ccc(S6(=O)=O)cc1.C5C3=O.C17CC1.CO4.N56.N37 |
32133 | CN(c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][#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][=C][Ring1][P][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc7cc1.N13CCC6CC1.S4(C)(=O)=O.CN45.C37=O.C6(N)=O |
32134 | Cc1ccc(SC(C)C(=O)NCC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.C5(C)C3=O.C16CCCO1.S57.N34.C46 |
32136 | Cc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.C4(C)C3=O.C16CCCC1.N45.N36 |
32138 | O=C(CN1C(=O)c2cccc3cccc1c23)NC1CC2CCC1C2 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] | O=C4CN1C(=O)c2cccc3cccc1c23.C15CC2CCC1C2.N45 |
32139 | COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C] | c13ccc(S4(=O)=O)cc1C.c15ccc(F)cc1.CO3.N45 |
32140 | Cc1ccccc1CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N15C(=O)c2ccccc2S1(=O)=O.Cc1ccccc16.C3(=O)C5.C46.N34 |
32142 | CN(c1ccc(C(=O)Nc2cccnc2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc7cc1.c16cccnc1.S4(C)(=O)=O.CN45.C37=O.N36 |
32143 | Cc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1][C] | Cc1ccc5cc1C.c17ccccc16.S4(C)(=O)=O.C37=O.N46C.N35 |
32144 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CC1 | [O][=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][N][C][C][C][Ring1][Ring1] | N15C(=O)c2ccccc2S1(=O)=O.O=C3C5.C14CC1.N34 |
32147 | CN(c1cccc(NS(C)(=O)=O)c1)S(C)(=O)=O | [C][N][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][S][Branch1][C][C][=Branch1][C][=O][=O] | c14cccc5c1.S3(C)(=O)=O.S2(C)(=O)=O.CN24.N35 |
32148 | CCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | c14ccc(S5(=O)=O)cc1.c16ccccc1F.CC3.O34.N56 |
32149 | CS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)c1cccc(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | C17CC2CCC1C2.c16cccc(F)c1.CS5(=O)=O.C4C3=O.N456.N37 |
32150 | CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][C] | c16ccc(S5(=O)=O)cc1.c17ccccc1Cl.CC3=O.N36.N45.C47 |
32153 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | S6(=O)(=O)c1ccc7cc1.C18CCCO1.N456.C38=O.CC4.C5C.N37 |
32154 | CCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1 | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | S5(=O)(=O)c1ccc6cc1.C17CCCO1.CCC4C.C37=O.N45.N36 |
32155 | CC(C)(C)c1nnc(NC(=O)C2CCCO2)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][Ring1][=N] | c16nnc4s1.C15CCCO1.CC6(C)C.C35=O.N34 |
32157 | Cc1cc(NC(=O)C2CCCO2)ccc1Br | [C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][Br] | Cc1cc4ccc1Br.C15CCCO1.C35=O.N34 |
32158 | CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1cccc(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c16cccnc1.CS4(=O)=O.C3C2=O.N345.N26 |
32159 | CN(c1ccc(C(=O)NC2CC3CCC2C3)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc8cc1.C17CC2CCC1C2.S5(C)(=O)=O.CN56.C48=O.N47 |
32160 | COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C][C] | c13ccc(S4(=O)=O)cc1C.c15ccc(F)cc1F.CO3.N45 |
32161 | CN(C)C(=O)c1ccccc1N(C)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc14.S3(C)(=O)=O.CN2C.C25=O.N34C |
32162 | COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C][C] | S5(=O)(=O)c1ccc4cc1.c17cccc6c1C.C37=O.CO3.N56.O4C |
32163 | Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1ccc2c(c1)OCCO2.Cc1cc(C)c5c(C)c1.N45 |
32164 | Cc1ccc(SC(C)C(=O)NCc2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.C5(C)C3=O.c16ccco1.S57.N34.C46 |
32165 | CN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc7cc1.c16ccc(F)cc1.S4(C)(=O)=O.CN45.C37=O.N36 |
32166 | CN(c1ccc(C(=O)Nc2ccc(F)cc2F)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc(F)cc1F.c15ccc7cc1.S4(C)(=O)=O.CN45.C37=O.N36 |
32167 | COc1ccc(S(=O)(=O)NCc2ccccn2)c(Cl)c1Cl | [C][O][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][Branch1][C][Cl][=C][Ring2][Ring1][C][Cl] | c13ccc(S5(=O)=O)c(Cl)c1Cl.c16ccccn1.CO3.N45.C46 |
32168 | CC(C)CNC(=O)c1ccccc1NS(C)(=O)=O | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.CC(C)C3.S4(C)(=O)=O.C26=O.N23.N45 |
32170 | CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1cccc(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.c17ccncc1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
32172 | CC(NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1 | [C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc15.c17ccccc1.S4(C)(=O)=O.CC37.C26=O.N45C.N23 |
32173 | COc1ccc(S(=O)(=O)NCc2ccco2)c(Cl)c1Cl | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][P][Cl] | c13ccc(S5(=O)=O)c(Cl)c1Cl.c16ccco1.CO3.N45.C46 |
32174 | CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc7cc1.C18CCCO1.S5(C)(=O)=O.CN56.C37=O.N34.C48 |
32175 | CC(C)CNC(=O)c1ccccc1N(C)S(C)(=O)=O | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.CC(C)C3.S4(C)(=O)=O.C26=O.N45C.N23 |
32176 | CCOc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | c14ccc(S7(=O)=O)cc1.c18ccccc15.CC3.O34.N67.C68.O5C |
32179 | O=C(Nc1ccccc1)c1nc2ccccc2s1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.c14ccccc1.O=C35.N34 |
32180 | O=C(NCc1ccccc1)c1nc2ccccc2s1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.c16ccccc1.O=C35.N34.C46 |
32181 | Cc1ccc(NC(=O)c2nc3ccccc3s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c16nc2ccccc2s1.Cc1ccc5cc1.C46=O.N45 |
32182 | CCOC(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][P] | c18nc2ccccc2s1.N15CCN6CC1.C45=O.C68=O.CC7.O47 |
32183 | COC(=O)c1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc2nc(C)sc2c1.c17ccc6cc1.C47=O.C58=O.CO4.N56 |
32184 | CCOC(=O)N1CCN(C(=O)c2ccc3nc(C)sc3c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c18ccc2nc(C)sc2c1.N15CCN6CC1.C45=O.C68=O.CC7.O47 |
32185 | C=CCN(CC=C)C(=O)Nc1ccc2nc(C)sc2c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c17ccc2nc(C)sc2c1.C=CC5.N356.C6C=C.C34=O.N47 |
32186 | Cc1ccc(C)n1NS(=O)(=O)c1ccccc1 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccc(C)n1NS(=O)(=O)c1ccccc1 |
32187 | Cn1nnc2cc(C(=O)NC3CCCCC3)ccc21 | [C][N][N][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C] | Cn1nnc2cc6ccc21.C15CCCCC1.C46=O.N45 |
32188 | Cn1nnc2cc(C(=O)N(CCO)c3ccccc3)ccc21 | [C][N][N][=N][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | Cn1nnc2cc7ccc21.c16ccccc1.C47=O.N456.C5CO |
32189 | CCc1cccc2c(C#N)cn(CC(=O)N3CCOCC3)c12 | [C][C][C][=C][C][=C][C][C][Branch1][Ring1][C][#N][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=Ring1][S] | c16cccc2c(C#N)cn5c12.N14CCOCC1.C5C4=O.CC6 |
32194 | Cn1nnc2cc(C(=O)NCc3ccccc3)ccc21 | [C][N][N][=N][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1] | Cn1nnc2cc6ccc21.c17ccccc1.C46=O.N45.C57 |
32195 | Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1] | c16ccc2c(c1)nnn2C.Cc1ccc5cc1.C46=O.N45 |
32196 | Cc1cc(NC(=O)COC(=O)c2ccccn2)ccc1Cl | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1cc6ccc1Cl.c17ccccn1.C4(=O)C5.C37=O.N46.O35 |
32198 | Cc1ccc(NC(=O)COC(=O)c2ccccn2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc6cc1C.c17ccccn1.C4(=O)C5.C37=O.N46.O35 |
32199 | Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccn1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1ccc(Cl)cc15.c16ccccn1.C3(=O)C4.C26=O.N35.O24 |
32200 | O=C(COC(=O)c1ccccc1)Nc1ccc(F)c(F)c1F | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] | c15ccc(F)c(F)c1F.c16ccccc1.O=C3C4.C26=O.O24.N35 |
32201 | CCc1cccc(CC)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | c16cccc7c14.C15CCN3CC1.S3(C)(=O)=O.C25=O.CC6.C7C.N24 |
32202 | CSc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | c16ccccc14.C15CCN3CC1.S3(C)(=O)=O.C25=O.CS6.N24 |
32203 | COC(C(=O)Nc1ccccc1SC)c1ccccc1 | [C][O][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc16.c15ccccc1.C35C2=O.CO3.N24.S6C |
32204 | CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C] | S5(=O)(=O)c1ccc6cc1.C6CC3=O.N13CCCC1.CC4(C)C.N45 |
32205 | COC(C(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 | [C][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c6cccc1C.c15ccccc1.C35C2=O.C6(C)C.CO3.N24 |
32206 | COC(C(=O)Nc1c(F)cccc1F)c1ccccc1 | [C][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c(F)cccc1F.c15ccccc1.C35C2=O.CO3.N24 |
32207 | CCOc1cc(C(N)=O)cc(Br)c1OCC | [C][C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][O][C][C] | c14cc6cc(Br)c15.C6(N)=O.CC2.O24.O35.C3C |
32208 | CCOc1c(Br)cc(C(N)=O)cc1OC | [C][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2][O][C] | c13c4cc5cc1Br.C5(N)=O.CC2.O23.O4C |
32209 | CCOc1cc(C(N)=O)cc(Br)c1OC | [C][C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][O][C] | c13cc5cc(Br)c14.C5(N)=O.CC2.O23.O4C |
32210 | CCOc1cc(CO)ccc1OCC(=O)Nc1ccc(F)cc1 | [C][C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15cc8ccc16.c17ccc(F)cc1.C4C2=O.CC3.O35.C8O.O46.N27 |
32211 | Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(N)=O | [C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][O][C][C][Branch1][C][N][=O] | Cc1cc(S5(=O)=O)ccc13.C4C(C)C.C2C(N)=O.N45.O23 |
32212 | CNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C | [C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C] | c14ccc(S6(=O)=O)cc1C.C2(=O)C3.C5C(C)C.CN2.O34.N56 |
32213 | COc1ccc(C)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c13ccc(C)cc1S4(=O)=O.c15ccc6cc1.C2(C)=O.CO3.N45.N26 |
32214 | COc1ccc(C)cc1S(=O)(=O)Nc1c(F)cccc1F | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c12ccc(C)cc1S3(=O)=O.c14c(F)cccc1F.CO2.N34 |
32215 | CC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1 | [C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccc(F)cc1.c16ccccc1.CC3C2=O.N35.N24.C46 |
32216 | Nc1c(C(=O)Nc2ccccn2)nnc2ncnn12 | [N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][C][=N][C][=N][N][Ring2][Ring1][C][Ring1][Branch1] | Nc1c5nnc2ncnn12.c14ccccn1.C35=O.N34 |
32217 | Cc1cnc(NC(=O)CSc2ccccc2)s1 | [C][C][=C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | Cc1cnc5s1.c16ccccc1.C3(=O)C4.N35.S46 |
32219 | O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][N][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][P][N][C][C][O][C][C][Ring1][=Branch1] | c14nc6n5n1.c16ccccc1.c15ccccc1.N13CCOCC1.O=C34 |
32220 | Cc1cc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)[nH]n1 | [C][C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][P][NH1][N][=Ring2][Ring1][=Branch2] | c16nc8n7n1.Cc1cc5[nH]n1.c18ccccc1.c17ccccc1.C46=O.N45 |
32221 | N#CCc1nn2c(-c3ccccc3)ccnc2c1C#N | [N][#C][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][C][Ring1][N][=C][Ring1][#C][C][#N] | c14nn2c5ccnc2c1C#N.c15ccccc1.N#CC4 |
32222 | Cc1nn2c(-c3cccnc3)ccnc2c1-c1ccccc1 | [C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=N][C][Ring1][N][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nn2c4ccnc2c15.c14cccnc1.c15ccccc1 |
32223 | CNc1ccccc1C(=O)Nc1cccc(Cl)c1 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c13ccccc15.c14cccc(Cl)c1.C25=O.CN3.N24 |
32224 | O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1 | [O][=C][Branch1][P][C][N][N][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n13ncc(Cl)c(Cl)c1=O.c12ccc(Cl)cc1.O=C2C3 |
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