ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
15090 | O=C(NC1CCCC1)C1CC(=O)N(CCc2ccccc2)C1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C15CC(=O)N6C1.c17ccccc1.C14CCCC1.O=C35.C6C7.N34 |
15092 | CCC(C)NC(=O)C1CC(=O)N(CCc2ccccc2)C1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C15CC(=O)N6C1.c17ccccc1.CCC4C.C35=O.C6C7.N34 |
15093 | O=C(NCCc1ccccc1)C1CC(=O)N(CCc2ccccc2)C1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C15CC(=O)N6C1.c17ccccc1.c18ccccc1.O=C35.C4C7.C6C8.N34 |
15094 | CC(C)CCNC(=O)C1CC(=O)N(CCc2ccccc2)C1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C15CC(=O)N6C1.c17ccccc1.CC(C)CC4.C35=O.C6C7.N34 |
15095 | O=C(NCc1ccc(F)cc1)C1CC(=O)N(CCc2ccccc2)C1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | c17ccc(F)cc1.C15CC(=O)N6C1.c18ccccc1.O=C35.C6C8.N34.C47 |
15096 | O=C(NCC1CCCO1)C1CC(=O)N(CCc2ccccc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C15CC(=O)N6C1.c18ccccc1.C17CCCO1.O=C35.C6C8.N34.C47 |
15097 | Cc1ccc(CNC(=O)C2CC(=O)N(CCc3ccccc3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc8cc1.C16CC(=O)N7C1.c19ccccc1.C46=O.C7C9.C58.N45 |
15098 | O=C(NC1CC1)C1CC(=O)N(CCc2ccccc2)C1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C15CC(=O)N6C1.c17ccccc1.O=C35.C14CC1.C6C7.N34 |
15100 | Cc1ccc(-c2ccc(=O)n(CCC(=O)NC(C)C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c16ccc(=O)n5n1.Cc1ccc6cc1.C5CC3=O.C4(C)C.N34 |
15103 | Cc1ccc(CNC(=O)C2CC(=O)N(C3CCCCC3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.C16CC(=O)N8C1.C18CCCCC1.C46=O.C57.N45 |
15104 | O=C(NCC1CCCO1)C1CC(=O)N(C2CCCCC2)C1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N] | C15CC(=O)N7C1.C17CCCCC1.C16CCCO1.O=C35.N34.C46 |
15106 | COc1cccc(CNC(=O)C2CC(=O)N(C3CCCCC3)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | c15cccc8c1.C17CC(=O)N9C1.C19CCCCC1.C47=O.CO5.C68.N46 |
15107 | CC(C)CCNC(=O)C1CC(=O)N(C2CCCCC2)C1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N] | C15CC(=O)N6C1.C16CCCCC1.CC(C)CC4.C35=O.N34 |
15108 | CCC(C)NC(=O)C1CC(=O)N(C2CCCCC2)C1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N] | C15CC(=O)N6C1.C16CCCCC1.CCC4C.C35=O.N34 |
15109 | O=C(NCc1ccco1)C1CC(=O)N(CCc2ccccc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C15CC(=O)N6C1.c18ccccc1.c17ccco1.O=C35.C6C8.N34.C47 |
15110 | Cc1ccc(CCN2CC(C(=O)NCc3ccco3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc9cc1.N17CC6CC1=O.c18ccco1.C9C7.C46=O.N45.C58 |
15111 | Cc1ccc(CCN2CC(C(=O)NC(C)C)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.N16CC5CC1=O.C7C6.C35=O.C4(C)C.N34 |
15112 | COc1ccc(CCN2CC(C(=O)NC(C)C)CC2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc9cc15.N18CC7CC1=O.C9C8.C37=O.C6(C)C.CO4.N36.O5C |
15113 | O=C(NCc1ccccn1)c1ccc2c(c1)ncn2C1CCCCC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc2c(c1)ncn27.c16ccccn1.C17CCCCC1.O=C35.N34.C46 |
15114 | O=C(c1ccc2c(c1)ncn2C1CCCCC1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c14ccc2c(c1)ncn25.C15CCCCC1.N13CCCC1.O=C34 |
15115 | O=C(NCc1ccccn1)C1CC(=O)N(CCc2ccccc2)C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C15CC(=O)N6C1.c17ccccn1.c18ccccc1.O=C35.C6C8.N34.C47 |
15116 | O=C(NCc1cccnc1)C1CCC(=O)N1CCc1ccccc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C14CCC(=O)N15.c16cccnc1.c17ccccc1.O=C24.C5C7.N23.C36 |
15117 | Cc1ccc(CN2C(=O)CCC2C(=O)NC2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.N16C(=O)CCC15.C14CCCC1.C35=O.C67.N34 |
15118 | CNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1 | [C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C] | c15ccc(F)c(Cl)c1.C14CC(=O)N5C1.C34=O.CN3 |
15119 | O=C(C1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCCCC1 | [O][=C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc(F)c(Cl)c1.C14CC(=O)N5C1.N13CCCCC1.O=C34 |
15120 | O=C(C1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCOCC1 | [O][=C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(F)c(Cl)c1.C14CC(=O)N5C1.N13CCOCC1.O=C34 |
15121 | CC1CCC(NC(=O)C2CC(=O)N(C3CCCCCC3)C2)CC1 | [C][C][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1] | CC1CCC5CC1.C16CC(=O)N7C1.C17CCCCCC1.C46=O.N45 |
15122 | O=C(C1CCC(=O)N1C1CCCC1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch2][Ring1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | C15CCC(=O)N16.N13CCN4CC1.c14ccccc1.C16CCCC1.O=C35 |
15123 | CCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(C)cc2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C] | N15CCCC6C1.c17ccc(C)cc1.CCS5(=O)=O.C36=O.C4C7.N34 |
15124 | CCS(=O)(=O)N1CCCC(C(=O)NC2CCCC(C)C2C)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][P] | C15CCCC(C)C1C.N14CCCC6C1.CCS4(=O)=O.C36=O.N35 |
15125 | CCS(=O)(=O)N1CCCC(C(=O)NCc2cccnc2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S] | N15CCCC6C1.c17cccnc1.CCS5(=O)=O.C36=O.N34.C47 |
15126 | CCS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] | N15CCCC6C1.c17ccccc1.CCS5(=O)=O.C36=O.C4C7.N34 |
15127 | CCS(=O)(=O)N1CCCC(C(=O)NC2CC2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N] | N14CCCC6C1.CCS4(=O)=O.C36=O.C15CC1.N35 |
15128 | CCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2C)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][S] | N14CCCC6C1.C15CCCCC1C.CCS4(=O)=O.C36=O.N35 |
15129 | CCS(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][=C] | N14CCCC6C1.CCS4(=O)=O.C15CCCC1.C36=O.N35 |
15130 | CCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C] | N14CCCC6C1.C15CCCCC1.CCS4(=O)=O.C36=O.N35 |
15131 | CCS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C] | N15CCCC6C1.CCS5(=O)=O.c17ccco1.C36=O.N34.C47 |
15132 | CCS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C] | N14CCCC5C1.N13CCOCC1.CCS4(=O)=O.C35=O |
15133 | CCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S] | N15CCCC6C1.c17ccccn1.CCS5(=O)=O.C36=O.N34.C47 |
15134 | CCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][C] | N14CCc2ccccc2C1.N15CCCC6C1.CCS5(=O)=O.C46=O |
15136 | Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC3CC3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S6(=O)=O)cc1.c19ccc8cc1.C48=O.C17CC1.N56.C59.N47 |
15139 | CC1=CN2C(=NC(=O)CC2(C)C(=O)NCc2ccc(F)cc2)C=C1 | [C][C][=C][N][C][=Branch2][Ring1][=C][=N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | CC1=CN2C(=NC(=O)CC25C)C=C1.c16ccc(F)cc1.C35=O.N34.C46 |
15140 | CCCS(=O)(=O)N1CCCC(C(=O)NC2CC2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N] | N14CCCC6C1.CCCS4(=O)=O.C36=O.C15CC1.N35 |
15141 | CCCS(=O)(=O)N1CCCC(C(=O)NC2CCC(C)CC2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][S] | N14CCCC6C1.C15CCC(C)CC1.CCCS4(=O)=O.C36=O.N35 |
15142 | CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S] | N15CCCC6C1.CCCS5(=O)=O.c17ccccn1.C36=O.N34.C47 |
15143 | CCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] | N15CCCC6C1.CCCS5(=O)=O.c17ccccc1.C36=O.C4C7.N34 |
15144 | CCCS(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][=C] | N14CCCC6C1.CCCS4(=O)=O.C15CCCC1.C36=O.N35 |
15145 | CCCS(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][#C] | N15CCCC6C1.CCCS5(=O)=O.C17CCCO1.C36=O.N34.C47 |
15146 | CCCS(=O)(=O)N1CCCC(C(=O)NC(C)C)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][N] | N14CCCC5C1.CCCS4(=O)=O.C25=O.C3(C)C.N23 |
15147 | CCCS(=O)(=O)N1CCCC(C(=O)NCc2cccnc2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S] | N15CCCC6C1.CCCS5(=O)=O.c17cccnc1.C36=O.N34.C47 |
15148 | CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C] | N15CCCC6C1.CCCS5(=O)=O.c17ccco1.C36=O.N34.C47 |
15149 | CCCS(=O)(=O)N1CCCC(C(=O)NCCC(C)C)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][=C] | N14CCCC5C1.CCCS4(=O)=O.C3CC(C)C.C25=O.N23 |
15150 | CC(C)NC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C] | c16ccc(F)c(Cl)c1.C15CC(=O)N6C1.CC4C.C35=O.N34 |
15152 | CNC(=O)C1CC(=O)N(CCc2ccc(C)cc2)C1 | [C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][#C] | C14CC(=O)N5C1.c16ccc(C)cc1.C34=O.C5C6.CN3 |
15153 | Cc1ccc(CNC(=O)C2CC(=O)N(CCC(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.C15CC(=O)N6C1.C6CC(C)C.C35=O.C47.N34 |
15154 | CC(C)CCN1CC(C(=O)NC2CCCCC2)CC1=O | [C][C][Branch1][C][C][C][C][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][=O] | N16CC5CC1=O.C14CCCCC1.CC(C)CC6.C35=O.N34 |
15155 | CCC(C)N1CC(C(=O)NC2CCCCC2)CC1=O | [C][C][C][Branch1][C][C][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][=O] | N16CC5CC1=O.C14CCCCC1.CCC6C.C35=O.N34 |
15156 | CC(C)NC(=O)C1CCC(=O)N1Cc1ccc(F)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CCC(=O)N15.c16ccc(F)cc1.CC3C.C24=O.N23.C56 |
15157 | Cc1ccc(CNC(=O)C2CCC(=O)N2Cc2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | Cc1ccc7cc1.C15CCC(=O)N16.c18ccc(F)cc1.C35=O.C47.N34.C68 |
15158 | O=C(NC1CC1)C1CCC(=O)N1Cc1ccc(F)cc1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CCC(=O)N15.c16ccc(F)cc1.O=C24.C13CC1.N23.C56 |
15159 | O=C(NC1CC1)C1CCC(=O)N1Cc1ccccc1Cl | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C14CCC(=O)N15.c16ccccc1Cl.O=C24.C13CC1.N23.C56 |
15160 | O=C(NCc1cccnc1)C1CCC(=O)N1Cc1ccccc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C14CCC(=O)N15.c17ccccc1Cl.c16cccnc1.O=C24.N23.C36.C57 |
15161 | CC(C)CCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CCC(=O)N15.c16ccc(F)cc1.CC(C)CC3.C24=O.N23.C56 |
15163 | CCCS(=O)(=O)N1CCCC(C(=O)N2CCCCC2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C] | N14CCCC5C1.CCCS4(=O)=O.N13CCCCC1.C35=O |
15164 | CCCS(=O)(=O)N1CCCC(C(=O)N2CCC(C(N)=O)CC2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][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] | N14CCCC5C1.N13CCC6CC1.CCCS4(=O)=O.C35=O.C6(N)=O |
15165 | O=C(NC1CCCC1)C1CCC(=O)N1Cc1ccccc1Cl | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C14CCC(=O)N15.c16ccccc1Cl.C13CCCC1.O=C24.N23.C56 |
15166 | O=C(NC1CCCC1)C1CCC(=O)N1Cc1ccc(F)cc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CCC(=O)N15.c16ccc(F)cc1.C13CCCC1.O=C24.N23.C56 |
15167 | O=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccc(F)cc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CCC(=O)N15.c17ccc(F)cc1.C16CCCO1.O=C24.N23.C36.C57 |
15168 | CNC(=O)c1cc(Sc2nnc(C)s2)nc2ccccc12 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c14cc5nc2ccccc12.c16nnc(C)s1.C34=O.CN3.S56 |
15169 | O=C1Nc2ccccc2SC1CC(=O)N1CCc2ccccc2C1 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | O=C1Nc2ccccc2SC14.N13CCc2ccccc2C1.C4C3=O |
15170 | Cc1ccc(CCNC(=O)CC2Sc3ccccc3NC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][#Branch1] | C16Sc2ccccc2NC1=O.Cc1ccc7cc1.C4(=O)C6.C7C5.N45 |
15171 | O=C(NCCc1ccccc1)C1CCC(=O)N1Cc1ccc(F)cc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CCC(=O)N15.c17ccc(F)cc1.c16ccccc1.O=C24.C3C6.N23.C57 |
15172 | Cc1ccc(CNC(=O)CC2Sc3ccccc3NC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=Branch1] | C16Sc2ccccc2NC1=O.Cc1ccc7cc1.C4(=O)C6.C57.N45 |
15173 | CN(Cc1ccco1)C(=O)C1CCC(=O)N1Cc1ccc(F)cc1 | [C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CCC(=O)N15.c17ccc(F)cc1.c16ccco1.CN23.C24=O.C36.C57 |
15174 | COc1ccc(NC(=O)NCc2cccn2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][Ring1][Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c15ccc8c6c1.c19cccn1C.C34=O.CO5.N38.N47.C79.O6C |
15175 | Cn1cccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.Cn1cccc16.C23=O.C46.N24.N35 |
15176 | Cn1cccc1CNC(=O)Nc1ccc(Cl)cc1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.Cn1cccc16.C23=O.C46.N24.N35 |
15177 | Cc1ccc(NC(=O)NCc2cccn2C)cc1C | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P][C] | Cc1ccc6cc1C.c17cccn1C.C34=O.N36.N45.C57 |
15178 | CCOc1ccc(NC(=O)NCc2cccn2C)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c16ccc8cc1.c19cccn1C.C34=O.CC5.O56.N38.N47.C79 |
15179 | CC1CCCCC1NC(=O)CC1Sc2ccccc2NC1=O | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O] | C15Sc2ccccc2NC1=O.CC1CCCCC14.C3(=O)C5.N34 |
15180 | O=C(CC1Sc2ccccc2NC1=O)NC1CCCCC1 | [O][=C][Branch1][P][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | C15Sc2ccccc2NC1=O.C14CCCCC1.O=C3C5.N34 |
15181 | O=C(CC1Sc2ccccc2NC1=O)NCC1CCCO1 | [O][=C][Branch1][P][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][C][C][C][C][O][Ring1][Branch1] | C15Sc2ccccc2NC1=O.C16CCCO1.O=C3C5.N34.C46 |
15183 | O=C(CC1Sc2ccccc2NC1=O)NCc1ccccc1Cl | [O][=C][Branch1][P][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C15Sc2ccccc2NC1=O.c16ccccc1Cl.O=C3C5.N34.C46 |
15184 | Cc1cccc(CCNC(=O)CC2Sc3ccccc3NC2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][#Branch1] | C16Sc2ccccc2NC1=O.Cc1cccc7c1.C4(=O)C6.C7C5.N45 |
15185 | Cc1ccc(CNC(=O)C(C)C2Sc3ccccc3NC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][#Branch1] | C16Sc2ccccc2NC1=O.Cc1ccc7cc1.C4(=O)C6C.C57.N45 |
15186 | CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | S5(=O)(=O)c1ccc(C)cc1.c16ccc7cc1.C36=O.CN3.C47.N45 |
15187 | O=C(NC1CCCC1)C1CCCN(S(=O)(=O)N2CCCC2)C1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=C] | C15CCCN(S(=O)(=O)N2CCCC2)C1.C14CCCC1.O=C35.N34 |
15188 | O=C(NCc1ccco1)C1CCCN(S(=O)(=O)N2CCCC2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=C] | C15CCCN(S(=O)(=O)N2CCCC2)C1.c16ccco1.O=C35.N34.C46 |
15192 | O=C(NCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N] | c16ccc(F)cc1.c15cccc7c1.N17CCCC1=O.O=C35.N34.C46 |
15193 | Cc1cccc(CCNC(=O)c2cccc(N3CCCC3=O)c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][=C][Ring2][Ring1][#Branch1] | Cc1cccc7c1.c16cccc8c1.N18CCCC1=O.C7C5.C46=O.N45 |
15196 | CC(C)CCNC(=O)c1ccc(N2CCCC2=O)cc1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | c15ccc6cc1.N16CCCC1=O.CC(C)CC4.C35=O.N34 |
15198 | COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c19ccc(=O)n7n1.c15ccc9cc1.c18ccco1.C7C4=O.CO5.N46.C68 |
15199 | Cc1cccc(CN2CCN(CC(=O)NCCC(C)C)C2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][=C][=O][=C][Ring2][Ring1][=Branch1] | Cc1cccc7c1.N15CCN6C1=O.C4CC(C)C.C6C3=O.C57.N34 |
15200 | COc1ccccc1CNC(=O)CC1Nc2ccccc2NC1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O] | C16Nc2ccccc2NC1=O.c14ccccc17.C3(=O)C6.CO4.C57.N35 |
15201 | Cc1c(Cl)cccc1NC(=O)c1sc2ncn(C)c(=O)c2c1C | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C] | c15sc2ncn(C)c(=O)c2c1C.Cc1c4cccc1Cl.C35=O.N34 |
15202 | Cc1ccc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)cc1F | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C][C][=C][Ring2][Ring1][Branch1][F] | c16sc2ncn(C)c(=O)c2c1C.Cc1ccc5cc1F.C46=O.N45 |
15203 | Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2ncn(C)c(=O)c12 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][=Ring1][Branch2] | Cc1c5sc2ncn(C)c(=O)c12.c14ccc(Cl)cc1.C35=O.N34 |
15204 | CCC(C)NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n16cnc2scc7c2c1=O.c17ccccc1.CCC5C.C4(=O)C6.N45 |
15206 | COC(=O)c1c(C(=O)OC)c(C)n(Cc2cccnc2)c1C | [C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][P][C] | c15c6c(C)n7c1C.c18cccnc1.C35=O.C46=O.CO3.O4C.C78 |
15207 | COC(=O)c1c(C(=O)OC)c(C)n(Cc2ccco2)c1C | [C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][S][C] | c15c6c(C)n7c1C.c18ccco1.C35=O.C46=O.CO3.O4C.C78 |
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