ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
17096 | Cc1cc(C)cc(OCC(=O)NCc2ccc3c(c2)OCO3)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c18ccc2c(c1)OCO2.Cc1cc6cc(C)c1.C5C4=O.O56.N47.C78 |
17097 | Cc1ccc(OCC(=O)NCc2ccco2)c(C)c1 | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.c17ccco1.C4C3=O.O45.N36.C67 |
17098 | Cc1ccc(OCC(=O)NCc2cccnc2)c(C)c1 | [C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(C)c1.c17cccnc1.C4C3=O.O45.N36.C67 |
17099 | O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][Ring1][#C] | c15ccc2c(c1)N(C6)C(=O)CS2.c16ccccc1.O=C35.C14CC1.N34 |
17100 | FC(OC(F)(F)F)c1nc2ccc(Cl)cc2[nH]1 | [F][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c14nc2ccc(Cl)cc2[nH]1.O3C(F)(F)F.FC34 |
17101 | Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c18ccc2c(c1)OCO2.Cc1ccc6c(C)c1.C5C4=O.O56.N47.C78 |
17102 | CCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21 | [C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | CCN1C(=O)CSc2ccc6cc21.C15CCCCC1.C46=O.N45 |
17104 | COc1ccc(OCC(=O)Nc2ccncc2)cc1 | [C][O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17ccncc1.C4C3=O.CO5.O46.N37 |
17105 | CCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21 | [C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | CCN1C(=O)CSc2ccc6cc21.c17ccco1.C46=O.N45.C57 |
17106 | CCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3C)cc21 | [C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][S][Ring2][Ring1][Branch1] | CCN1C(=O)CSc2ccc6cc21.C15CCCCC1C.C46=O.N45 |
17107 | COc1ccc(OCC(=O)Nc2cc(OC)cc(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c19cc7cc8c1.c15ccc6cc1.C4C3=O.CO5.O46.N39.O7C.O8C |
17108 | CCN1C(=O)CSc2ccc(C(=O)NCc3cccs3)cc21 | [C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | CCN1C(=O)CSc2ccc6cc21.c17cccs1.C46=O.N45.C57 |
17109 | COc1ccc(OCC(=O)N2CCc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | N14CCc2ccccc21.c16ccc7cc1.C5C4=O.CO6.O57 |
17110 | COc1ccc(CCNc2ccncn2)cc1OC | [C][O][C][=C][C][=C][Branch1][N][C][C][N][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c13ccc7cc14.c16ccncn1.C7C5.CO3.N56.O4C |
17111 | CCOC(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] | N14CCN5CC1.c18ccc9cc1.C5(=O)C7.C34=O.CC6.O36.O78.O9C |
17113 | CCN1C(=O)CSc2ccc(C(=O)NCCc3ccccc3)cc21 | [C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Ring2][Ring1][=Branch1] | CCN1C(=O)CSc2ccc6cc21.c17ccccc1.C46=O.C5C7.N45 |
17116 | C=CCN1C(=O)CSc2ccc(C(=O)NCc3cccs3)cc21 | [C][=C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | C=CCN1C(=O)CSc2ccc6cc21.c17cccs1.C46=O.N45.C57 |
17117 | C=CCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21 | [C][=C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | C=CCN1C(=O)CSc2ccc6cc21.c17ccco1.C46=O.N45.C57 |
17118 | O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccco1 | [O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1] | c17nc2ccccc2c(=O)o1.c15cccc7c1.c16ccco1.O=C46.N45 |
17119 | CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][#C] | c16nc2ccccc2s1.c15cccc6c1.CC4=O.N45 |
17120 | Cc1cc(C)c(S(=O)(=O)NC(C)(C)C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][S] | Cc1cc(C)c(S3(=O)=O)c(C)c1.C2(C)(C)C.N23 |
17123 | COC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][S] | c16cccc5c1.c17ccc(C)cc1.C36=O.C47=O.CO3.N45 |
17125 | O=C(CNc1n[nH]c(=O)[nH]c1=O)NCc1ccccc1 | [O][=C][Branch1][#C][C][N][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15n[nH]c(=O)[nH]c1=O.c16ccccc1.O=C2C3.N35.N24.C46 |
17126 | O=C(NCc1ccccc1)C1CCCN(c2nc3ccccc3[nH]2)C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C] | c16nc2ccccc2[nH]1.C17CCCN6C1.c18ccccc1.O=C47.N45.C58 |
17127 | CCOC(=O)C1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Ring1] | C5(=O)C1CC(=O)Nc2ccccc21.C17CCN5CC1.C47=O.CC6.O46 |
17128 | Cc1ccc2c(c1)N(CCCC(=O)NCc1ccccn1)C(=O)CO2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][Ring2][Ring1][Branch1] | Cc1ccc2c(c1)N(CCCC3=O)C(=O)CO2.c15ccccn1.N34.C45 |
17131 | Cc1cc(C)n(CC(O)COc2ccccc2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][P][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=Ring2][Ring1][C] | Cc1cc(C)n5n1.c14ccccc1C.C5C(O)C3.O34 |
17132 | CCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(C)cc1.C16CCN5CC1.CCC4C.C36=O.N34 |
17133 | Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][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(S5(=O)=O)cc1.N15CCC7CC1.C47=O.C16CC1.N46 |
17134 | CC(NC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)CN1C(=O)CSc2ccccc21.c15ccccc1.CC45.N34 |
17135 | O=C(CN1C(=O)CSc2ccccc21)NC1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][C][C][C][Ring1][=Branch1] | O=C3CN1C(=O)CSc2ccccc21.C14CCCCC1.N34 |
17136 | CCOc1ccccc1CNC(=O)CNC(=O)c1cccs1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c15ccccc19.c18cccs1.C2(=O)C7.C38=O.CC4.O45.C69.N26.N37 |
17137 | O=C(CNC(=O)c1cccs1)NC1CCCCCC1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][C][C][Ring1][#Branch1] | C15CCCCCC1.c16cccs1.O=C2C4.C36=O.N34.N25 |
17138 | O=C(CNC(=O)c1cccs1)NC1CCCC1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][Ring1][Branch1] | c16cccs1.C15CCCC1.O=C2C4.C36=O.N34.N25 |
17139 | CCc1ccc(CNC(=O)CNC(=O)c2cccs2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c18ccc9cc1.c17cccs1.C3(=O)C6.C47=O.CC8.C59.N35.N46 |
17140 | O=C(CNC(=O)c1cccs1)NCc1ccccc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1.c16cccs1.O=C2C4.C36=O.N34.N25.C57 |
17141 | O=C(CNC(=O)c1cccs1)NCc1cccs1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][S][Ring1][Branch1] | c16cccs1.c17cccs1.O=C2C4.C36=O.N34.N25.C57 |
17142 | COc1ccc(CNC(=O)CNC(=O)c2cccs2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15ccc%10c6c1.c19cccs1.C3(=O)C8.C49=O.CO5.C7%10.N37.N48.O6C |
17143 | CC1CCN(C(=O)CNC(=O)c2cccs2)CC1 | [C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][P] | CC1CCN3CC1.c16cccs1.C3(=O)C5.C46=O.N45 |
17144 | CCOC(=O)N1CCC(NC(=O)CNC(=O)c2cccs2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][C] | N14CCC9CC1.c1%10cccs1.C5(=O)C8.C34=O.C6%10=O.CC7.O37.N59.N68 |
17145 | O=C(CNC(=O)c1cccs1)NCc1ccc(F)cc1Cl | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl] | c17ccc(F)cc1Cl.c16cccs1.O=C2C4.C36=O.N34.N25.C57 |
17146 | O=C(CNC(=O)c1cccs1)NCc1ccco1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16cccs1.c17ccco1.O=C2C4.C36=O.N34.N25.C57 |
17147 | O=C(NCC(=O)N1CCCCCC1)c1cccs1 | [O][=C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | N13CCCCCC1.c15cccs1.C4C3=O.O=C25.N24 |
17148 | CC(=O)N1CCC(N(C(=O)Nc2ccc(Cl)cc2)C(C)C)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2] | N13CCC8CC1.c17ccc(Cl)cc1.CC3=O.N468.C45=O.C6(C)C.N57 |
17149 | CC(=O)N1CCC(N(C(=O)Nc2ccc(C)c(C)c2)C(C)C)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1] | c17ccc(C)c(C)c1.N13CCC8CC1.CC3=O.N468.C45=O.C6(C)C.N57 |
17150 | CCc1ccc(NC(=O)N(C(C)C)C2CCN(C(C)=O)CC2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] | c19ccc7cc1.C18CCN5CC1.C34=O.N468.C6(C)C.C5(C)=O.CC9.N37 |
17151 | CC(=O)N1CCC(N(C(=O)Nc2ccccc2)C(C)C)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1] | N13CCC8CC1.c17ccccc1.CC3=O.N468.C45=O.C6(C)C.N57 |
17153 | NC(=O)c1cc2cc(Br)ccc2oc1=O | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c13cc2cc(Br)ccc2oc1=O.NC3=O |
17155 | COc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c14ccc8cc1.C17CCN6CC1.S6(C)(=O)=O.C37=O.CO4.C58.N35 |
17156 | CS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N15CCC6CC1.c17ccc(F)cc1.CS5(=O)=O.C36=O.N34.C47 |
17157 | COc1cc2nc(-c3cccc(OC(C)=O)c3)oc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc2nc8oc(=O)c2cc17.c18cccc6c1.C4(C)=O.CO5.O46.O7C |
17158 | CS(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C] | N15CCC6CC1.c17ccc(Cl)cc1.CS5(=O)=O.C36=O.C4C7.N34 |
17159 | Cc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.C16CCN5CC1.S5(C)(=O)=O.C36=O.C47.N34 |
17160 | CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N15CCC6CC1.c17ccccc1.CS5(=O)=O.C36=O.N34.C47 |
17161 | CN(C)C(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C] | N14CCC7CC1.c18ccc(Cl)cc1.CN3C.C34=O.C57=O.C6C8.N56 |
17162 | COc1cccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c14cccc8c1.C17CCN6CC1.S6(C)(=O)=O.C37=O.CO4.C58.N35 |
17163 | CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][P] | N15CCC6CC1.c17ccccc1Cl.CS5(=O)=O.C36=O.N34.C47 |
17164 | CCOc1ccccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | c14ccccc18.C17CCN6CC1.S6(C)(=O)=O.C27=O.CC3.O34.C58.N25 |
17165 | CC1CCCCC1NC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][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] | CC1CCCCC14.C15CCN3CC1.S3(C)(=O)=O.C25=O.N24 |
17166 | CS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | N15CCC6CC1.c17ccccc1.CS5(=O)=O.C36=O.C4C7.N34 |
17167 | CS(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S] | N14CCC6CC1.C15CCCCCC1.CS4(=O)=O.C36=O.N35 |
17168 | CC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 | [C][C][Branch2][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][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CCN4CC1.c16ccccc1.S4(C)(=O)=O.CC36.C25=O.N23 |
17169 | CS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][#C] | N15CCC6CC1.c17ccco1.CS5(=O)=O.C36=O.N34.C47 |
17170 | CCC(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | C15CCN4CC1.CCC3C.S4(C)(=O)=O.C25=O.N23 |
17171 | CS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][#C] | N15CCC6CC1.C17CCCO1.CS5(=O)=O.C36=O.N34.C47 |
17173 | COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] | c18cc4c5c6c1.C2(=O)C7.C38=O.CO2.N37.O4C.O5C.O6C |
17174 | CN1C(=O)C(O)(C2CCCCCC2=O)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][O][C][C][C][C][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | CN1C(=O)C(O)(C2CCCCCC2=O)c2ccccc21 |
17176 | COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cn2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][C] | c14cc5cc7c1.c16ccc(Cl)cn1.C37=O.CO4.O5C.N36 |
17177 | COc1ccc(CSc2nnc3nc(C)cc(C)n23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][O][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c17nnc2nc(C)cc(C)n12.c14ccc6cc1.CO4.C56.S57 |
17178 | Cc1cc(C)n2c(SCCc3ccccc3)nnc2n1 | [C][C][C][=C][Branch1][C][C][N][C][Branch1][N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2c6nnc2n1.c15ccccc1.C4C5.S46 |
17179 | Nc1ccc(O)c(-c2nc3ccc(N)cc3s2)c1 | [N][C][=C][C][=C][Branch1][C][O][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=C][Ring1][P] | c14nc2ccc(N)cc2s1.Nc1ccc(O)c4c1 |
17180 | COC(=O)c1ccc(-c2nc3cc(NC(C)=O)c(N)cc3o2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][C][N][C][=C][Ring1][O][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c18nc2cc6c(N)cc2o1.c17ccc8cc1.C47=O.C5(C)=O.CO4.N56 |
17181 | Cc1ccnc(NC(=O)COc2ccc(C)cc2C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc(C)cc1C.Cc1ccnc6c1.C3(=O)C4.N36.O45 |
17182 | Nc1ccc(-c2nc3c(Cl)cc(N)cc3[nH]2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][N][C][=C][Ring1][Branch2][NH1][Ring1][O][C][=C][Ring1][P] | c14nc2c(Cl)cc(N)cc2[nH]1.Nc1ccc4cc1 |
17183 | CCCC(=O)Nc1nc(C)c(C(=O)OCC)s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][S][Ring1][O] | c15nc(C)c6s1.CCCC3=O.C26=O.N35.O24.C4C |
17184 | COc1cccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][=C][Ring2][Ring1][Branch1] | c16cccc9c1.C18CCN4CC1.C38=O.C45=O.N5(C)C.CO6.C79.N37 |
17185 | CS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C] | N14CCC6CC1.C15CCCC1.CS4(=O)=O.C36=O.N35 |
17186 | CCOc1ccc(C(=O)Nc2cccnc2)cc1Cl | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c15ccc7cc1Cl.c16cccnc1.C37=O.CC4.O45.N36 |
17187 | CS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCC5CC1.N13CCCCC1.CS4(=O)=O.C35=O |
17188 | COc1ccccc1CNC(=O)C1CCN(C(=O)N(C)C)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O] | c15ccccc18.C17CCN3CC1.C27=O.C34=O.N4(C)C.CO5.C68.N26 |
17189 | Cc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc8cc1.C17CCN4CC1.C37=O.C45=O.N5(C)C.C68.N36 |
17190 | CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCC7CC1.c18ccccc1.CN3C.C34=O.C57=O.N56.C68 |
17191 | COc1ccc(NC(=O)c2ccncc2)cc1Cl | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c14ccc5cc1Cl.c16ccncc1.C36=O.CO4.N35 |
17192 | CN(C)C(=O)N1CCC(C(=O)NCc2cccs2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][#C] | N14CCC7CC1.c18cccs1.CN3C.C34=O.C57=O.N56.C68 |
17193 | COc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c16ccc9cc1.C18CCN4CC1.C38=O.C45=O.N5(C)C.CO6.C79.N37 |
17195 | Nc1ncnc2[nH]c(SCc3ccccc3)nc12 | [N][C][=N][C][=N][C][NH1][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][P][=Ring1][=N] | Nc1ncnc2[nH]c6nc12.c15ccccc1.S46.C45 |
17197 | CN(C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][C][Ring2][Ring1][C] | c18ccc(F)cc1Cl.N14CCC7CC1.CN3C.C34=O.C57=O.N56.C68 |
17198 | O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccncc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc2oc7nc2c1.c17cccnc1.c16ccncc1.O=C46.N45 |
17200 | CCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C] | c15ccc2oc6nc2c1.c16cccnc1.CCC4=O.N45 |
17201 | CCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C] | c15ccc2oc6nc2c1.c16ccncc1.CCCC4=O.N45 |
17202 | CN(C)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCC7CC1.c18cccnc1.CN3C.C34=O.C57=O.N56.C68 |
17203 | CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][P] | N14CCC7CC1.c18ccccc1Cl.CN3C.C34=O.C57=O.N56.C68 |
17204 | CC(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ccccc1 | [C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16CCN3CC1.c17ccccc1.CC57.C26=O.C34=O.N4(C)C.N25 |
17205 | O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc2c(c1)OCCO2 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccc6cc1.c17ccncc1.O=C35.N34.C67 |
17206 | CN(C)C(=O)N1CCC(C(=O)NCC2CCCO2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][#C] | N14CCC7CC1.C18CCCO1.CN3C.C34=O.C57=O.N56.C68 |
17207 | O=C(Nc1cccnc1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14cccnc1.O=C35.N34 |
17208 | CC(C)CCNC(=O)C1CCN(C(=O)N(C)C)CC1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O] | C16CCN3CC1.CC(C)CC5.C26=O.C34=O.N4(C)C.N25 |
17209 | CC(=O)N1CCC(N(C(=O)Nc2ccccc2)C2CCCC2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch1] | N13CCC7CC1.c16ccccc1.C18CCCC1.CC3=O.N478.C45=O.N56 |
17210 | CC(=O)N1CCC(N(C(=O)Nc2cccc(C)c2)C2CCCC2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][=Branch1] | N13CCC7CC1.c16cccc(C)c1.C18CCCC1.CC3=O.N478.C45=O.N56 |
17211 | CN(C)C(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][C] | N16CCC2(CC1)OCCO2.N15CCC7CC1.CN4C.C45=O.C67=O |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.