ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1933131 | COc1cccc(-c2cc(NC(=O)N(C)CCC3CC3)n(C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][Ring1][Ring1][N][Branch1][C][C][N][=Ring1][S][=C][Ring2][Ring1][=Branch1] | c16cccc%10c1.c1%10cc8n(C)n1.C45=O.N57C.C7C9.C19CC1.CO6.N48 |
1933132 | COc1cccc(-c2cc(NC(=O)N3CCCC(C)C3)n(C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][Branch1][C][C][N][=Ring1][S][=C][Ring2][Ring1][=Branch1] | c16cccc8c1.c18cc7n(C)n1.N15CCCC(C)C1.C45=O.CO6.N47 |
1933133 | CC(C)NC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N14CCN6CC1.c17ccsc1.CC5C.C34=O.C67C.N35 |
1933134 | Fc1ccccc1-c1n[nH]cc1CNc1nnc(-c2ccncc2)o1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O] | Fc1ccccc16.c16n[nH]cc15.c14nnc7o1.c17ccncc1.C35.N34 |
1933135 | c1cncc(-c2cccc(CNc3nnc(-c4ccncc4)o3)c2)c1 | [C][=C][N][=C][C][Branch2][Ring1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] | c19cccc7c1.c1cncc9c1.c16nnc8o1.c18ccncc1.C57.N56 |
1933136 | Cc1cc(CNc2nnc(-c3ccncc3)o2)ccc1-n1cncn1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][N][C][=N][C][=N][Ring1][Branch1] | Cc1cc6ccc17.c15nnc8o1.c18ccncc1.n17cncn1.C46.N45 |
1933137 | Cn1cc(CNc2nnc(-c3ccncc3)o2)c(-c2ccccc2)n1 | [C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | Cn1cc6c8n1.c15nnc7o1.c17ccncc1.c18ccccc1.C46.N45 |
1933139 | COc1cccc(Cl)c1CC(=O)NC(C(N)=O)c1ccccc1 | [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cccc(Cl)c15.c16ccccc1.C46C(N)=O.C5C2=O.CO3.N24 |
1933140 | COc1cccc(Cl)c1CC(=O)N(CC(N)=O)C1CCCC1 | [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][C][C][C][Ring1][Branch1] | c13cccc(Cl)c16.C15CCCC1.C6C2=O.C4C(N)=O.N245.CO3 |
1933141 | O=C(Nc1cnc(C2CC2)nc1)NC1CCOC(c2ccccc2)C1 | [O][=C][Branch1][P][N][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][N][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c15cnc8nc1.C16CCOC7C1.c17ccccc1.O=C34.C18CC1.N35.N46 |
1933142 | CC(=O)NCCCNC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N15CCN8CC1.c19ccsc1.C6CC7.CC3=O.C45=O.C89C.N36.N47 |
1933143 | CCc1noc(C)c1NC(=O)N1CCN(C(C)c2ccccn2)CC1 | [C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C] | c17noc(C)c16.N14CCN5CC1.c18ccccn1.C34=O.C58C.CC7.N36 |
1933144 | CCn1nc(C)c(NC(=O)NC2CCOC(c3ccccc3)C2)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][=Branch1][C] | n18nc(C)c6c1C.C17CCOC9C1.c19ccccc1.C45=O.CC8.N46.N57 |
1933145 | CCc1cc(N2CCC(NC(=O)Nc3cccc(C)n3)CC2)ncn1 | [C][C][C][=C][C][Branch2][Ring1][=N][N][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][P][=N][C][=N][Ring2][Ring1][#Branch1] | c19cc6ncn1.N16CCC8CC1.c17cccc(C)n1.C45=O.CC9.N48.N57 |
1933146 | CCOCCN1CCN(C(=O)Nc2cccc(C)n2)CC1 | [C][C][O][C][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][S] | N17CCN3CC1.c18cccc(C)n1.C6C7.C34=O.CC5.O56.N48 |
1933148 | Cc1cccc(NC(=O)N2CCCC(c3ccn[nH]3)C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][C][Ring1][O][=N][Ring2][Ring1][Ring2] | Cc1cccc6n1.N15CCCC7C1.c17ccn[nH]1.C45=O.N46 |
1933149 | Cc1cccc(NC(=O)NCCCNC(=O)c2ccc(F)cc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1] | Cc1cccc8n1.c19ccc(F)cc1.C6CC7.C34=O.C59=O.N38.N46.N57 |
1933150 | CC(=O)N1CCN(C(=O)Nc2cccc(C)n2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][S] | N13CCN4CC1.c16cccc(C)n1.CC3=O.C45=O.N56 |
1933151 | Cc1cccc(NC(=O)NCc2nc(C3CC3)cs2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2][=N][Ring2][Ring1][Ring1] | Cc1cccc7n1.c18nc9cs1.C45=O.C19CC1.N47.N56.C68 |
1933152 | COC(C)(C)CNC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N14CCN7CC1.C5(C)(C)C6.c18ccsc1.C34=O.C78C.CO5.N36 |
1933154 | Cc1cccc(NC(=O)NC2C3CCOC3C23CCCC3)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][Branch1] | C17C2CCOC2C12CCCC2.Cc1cccc6n1.C45=O.N46.N57 |
1933155 | Cc1cc(C)nc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cc7nc(C)c1.c18ccc(F)cc1.C6C5=O.C34=O.N37.N46.N58 |
1933156 | Cc1cc(C)nc(NC(=O)N2CCC(OCC(C)C)C2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | Cc1cc7nc(C)c1.N14CCC6C1.C5C(C)C.C34=O.N37.O56 |
1933157 | COCCn1nc(C)c(NC(=O)Nc2cc(C)cc(C)n2)c1C | [C][O][C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring2][Ring1][C][C] | n18nc(C)c7c1C.c16cc(C)cc(C)n1.C5C8.C34=O.CO5.N37.N46 |
1933159 | Cc1cc(C)nc(NC(=O)N2CCC(c3nc(C)no3)CC2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | Cc1cc6nc(C)c1.N15CCC7CC1.c17nc(C)no1.C45=O.N46 |
1933160 | CCOCC1CCN(C(=O)Nc2cc(C)cc(C)n2)C1 | [C][C][O][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][Ring1][S] | c17cc(C)cc(C)n1.C18CCN3C1.C34=O.CC5.O56.C68.N47 |
1933161 | Cc1cc(C)nc(NC(=O)NCC(C)(O)c2ccsc2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][O][C][C][=C][S][C][=Ring1][Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc6nc(C)c1.C5C7(C)O.c17ccsc1.C34=O.N36.N45 |
1933162 | Cc1cc(C)nc(NC(=O)NC(C)c2ccc(-n3cncn3)cc2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][Branch2] | Cc1cc7nc(C)c1.c18ccc9cc1.n19cncn1.C45=O.C68C.N47.N56 |
1933163 | C=CC(C)NC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][=C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N14CCN6CC1.c17ccsc1.C=CC5C.C34=O.C67C.N35 |
1933164 | C#CCCCCNC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][#C][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N14CCN6CC1.C#CCCCC5.c17ccsc1.C34=O.C67C.N35 |
1933165 | Cc1cc(C)nc(NC(=O)N2CCN(C(C)C(F)(F)F)CC2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | Cc1cc6nc(C)c1.N14CCN5CC1.C5(C)C(F)(F)F.C34=O.N36 |
1933166 | Cc1cc(C)nc(NC(=O)N(C)Cc2cc(Cl)cn2C)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1cc6nc(C)c1.c17cc(Cl)cn1C.C34=O.N45C.N36.C57 |
1933167 | Cc1cc(C)nc(NC(=O)N2CCC(Oc3cccnc3)C2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | Cc1cc8nc(C)c1.N15CCC6C1.c17cccnc1.C45=O.N48.O67 |
1933168 | CC(c1ccccn1)N1CCN(C(=O)NC2CC=CC2)CC1 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][Branch1][C][C][Ring1][=C] | N15CCN3CC1.c17ccccn1.C16CC=CC1.CC57.C34=O.N46 |
1933169 | Cc1cc(C)nc(NC(=O)NCCc2ccccn2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1cc6nc(C)c1.c17ccccn1.C34=O.C5C7.N36.N45 |
1933170 | Cc1cc(C)nc(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | Cc1cc6nc(C)c1.N14CCN5CC1.C5(=O)C(C)(C)C.C34=O.N36 |
1933171 | Cc1nc(CNC(=O)N2CCN(C(C)c3ccccn3)CC2)oc1C | [C][C][N][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][O][C][=Ring2][Ring1][#Branch1][C] | Cc1nc8oc1C.N15CCN7CC1.c19ccccn1.C45=O.C79C.C68.N46 |
1933172 | Cc1ocnc1CNC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N14CCN6CC1.Cc1ocnc17.c18ccsc1.C34=O.C68C.C57.N35 |
1933173 | CC(c1ccsc1)N1CCN(C(=O)NCCc2ccnn2C)CC1 | [C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][N][Ring1][Branch1][C][C][C][Ring1][P] | N15CCN3CC1.c17ccnn1C.c18ccsc1.CC58.C34=O.C6C7.N46 |
1933174 | CCOCCC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][C][O][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N13CCN6CC1.C5CC3=O.c17ccsc1.C67C.CC4.O45 |
1933175 | CCn1cc(NC(=O)Nc2cccc(OCC(F)F)n2)cn1 | [C][C][N][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=N][Ring1][O][C][=N][Ring2][Ring1][Ring2] | c17cccc6n1.n19cc8cn1.C5C(F)F.C34=O.CC9.N38.N47.O56 |
1933176 | O=C(Nc1cn[nH]c1)Nc1cccc(OCC(F)F)n1 | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=N][Ring1][O] | c16cccc5n1.c17cn[nH]c1.C4C(F)F.O=C23.N27.N36.O45 |
1933177 | COc1cccc(Cl)c1CC(=O)NCc1ccc(F)c(CO)c1 | [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2] | c13cccc(Cl)c15.c16ccc(F)c7c1.C5C2=O.CO3.N24.C46.C7O |
1933178 | CC1CC(C)CC(C(=O)NC2(CCO)CCOCC2)C1 | [C][C][C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][C][O][C][C][O][C][C][Ring1][=Branch2][C][Ring2][Ring1][Ring1] | CC1CC5CC(C)C1.C146CCOCC1.C35=O.C6CO.N34 |
1933179 | COc1ccc2c(c1)N(Cc1ccc([S+](C)[O-])cc1)CCO2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][C][=C][Ring1][=Branch2][C][C][O][Ring1][P] | c13ccc2c(c1)N4CCO2.c15ccc([S+](C)[O-])cc1.CO3.C45 |
1933181 | CC(C)c1ccc(CC2CCN(C(=O)CCc3nc[nH]n3)CC2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][N][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | c17ccc8cc1.C16CCN4CC1.C4(=O)CC5.c15nc[nH]n1.CC7C.C68 |
1933182 | CC(O)(CNC(=O)c1cnccn1)c1ccccc1Cl | [C][C][Branch1][C][O][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c14cnccn1.CC5(O)C3.C24=O.N23 |
1933183 | CC(O)(CNC(=O)C1CCCO1)c1ccccc1Cl | [C][C][Branch1][C][O][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.CC5(O)C3.C14CCCO1.C24=O.N23 |
1933184 | CC(O)(CNC(=O)C1CCOC1)c1ccccc1Cl | [C][C][Branch1][C][O][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.CC5(O)C3.C14CCOC1.C24=O.N23 |
1933185 | CN1CCC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1=O | [C][N][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C][=O] | c14cc(Cl)c(O)c(Cl)c1.CN1CCC5CC1=O.C35=O.N34 |
1933186 | Cc1sc(=O)n(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C | [C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=Ring2][Ring1][Ring1][C] | c14cc(Cl)c(O)c(Cl)c1.Cc1sc(=O)n5c1C.C5C3=O.N34 |
1933187 | CC(O)(CNC(=O)NCCc1cscn1)c1ccccc1Cl | [C][C][Branch1][C][O][Branch1][P][C][N][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c17ccccc1Cl.CC7(O)C4.c16cscn1.C23=O.C5C6.N24.N35 |
1933188 | O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1n[nH]c2ccccc12 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15n[nH]c2ccccc12.c16nc7n[nH]1.c17ccccc1.O=C35.C4C6.N34 |
1933189 | CCc1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][O][Ring2][Ring1][Branch1] | c17ccc6o1.c18nc9n[nH]1.c19ccccc1.C46=O.C5C8.CC7.N45 |
1933190 | O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][=C][C][=C][O][Ring1][Branch1] | c16nc7n[nH]1.c17ccccc1.c15ccco1.O=C35.C4C6.N34 |
1933191 | Cc1cc(C)n(CC(=O)NCCc2nc(-c3ccccc3)n[nH]2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n6n1.c17nc8n[nH]1.c18ccccc1.C6C4=O.C5C7.N45 |
1933192 | Cn1cccc1C1COCCN1C(=O)CCn1cccn1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][C][=C][C][=N][Ring1][Branch1] | C14COCCN12.Cn1cccc14.C2(=O)CC3.n13cccn1 |
1933193 | Cn1cccc1C1COCCN1C(=O)Cc1cn2ccccc2n1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2] | c14cn2ccccc2n1.C15COCCN13.Cn1cccc15.C3(=O)C4 |
1933194 | Cn1cccc1C1COCCN1C(=O)CCC(=O)c1cccs1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C14COCCN12.C2(=O)CCC3=O.Cn1cccc14.c13cccs1 |
1933195 | CCc1ccsc1C(=O)N1CCOCC1c1cccn1C | [C][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C] | N12CCOCC15.c14ccsc13.c15cccn1C.C23=O.CC4 |
1933196 | Cn1cccc1C1COCCN1C(=O)c1scnc1C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | C14COCCN12.Cn1cccc14.c13scnc15.C23=O.C15CC1 |
1933197 | COc1ccc2c(c1)CCCC2CNC(=O)NCc1ccncc1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc2c(c1)CCCC2C6.c18ccncc1.C34=O.CO5.N36.N47.C78 |
1933198 | N#CC1(CS(=O)(=O)N2CCCC2CCc2ccccc2)CC1 | [N][#C][C][Branch2][Ring1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | N13CCCC14.c16ccccc1.N#CC15CC1.C5S3(=O)=O.C4C6 |
1933199 | CCNC(=O)CN1CCN(c2ccnc(Cc3ccccc3)n2)CC1 | [C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][C][Ring2][Ring1][Ring1] | N16CCN7CC1.c17ccnc8n1.c19ccccc1.C4(=O)C6.CC5.N45.C89 |
1933200 | Cn1nccc1CNc1nccnc1NCc1ccnn1C | [C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][=N][N][Ring1][Branch1][C] | c14nccnc15.Cn1nccc16.c17ccnn1C.C26.N24.N35.C37 |
1933201 | Cc1cccc(S(=O)(=O)CCCn2cnc3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | Cc1cccc(S(=O)(=O)CCC4)c1.n14cnc2ccccc21 |
1933202 | CC(C)c1nc(C2(NS(=O)(=O)CC3(C#N)CC3)CCCC2)no1 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][=N][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][C][C][C][C][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | c16nc8no1.C148CCCC1.S5(=O)(=O)C7.C17(C#N)CC1.CC6C.N45 |
1933203 | C#CCn1c(=O)c2c(C(F)(F)F)cc(C)nc2n1C | [C][#C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][C][N][=C][Ring1][O][N][Ring1][#C][C] | n13c(=O)c2c4cc(C)nc2n1C.C4(F)(F)F.C#CC3 |
1933204 | Cc1n[nH]c(C)c1CNc1ccnc(Cc2ccccc2)n1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N] | Cc1n[nH]c(C)c16.c14ccnc5n1.c17ccccc1.C36.N34.C57 |
1933206 | CC(C(N)=O)N1CCN(c2ccnc(Cc3ccccc3)n2)CC1 | [C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][C][Ring2][Ring1][Ring1] | N14CCN5CC1.c15ccnc6n1.c17ccccc1.CC4C(N)=O.C67 |
1933207 | N#Cc1cc(NCC(O)c2ccncc2)ccc1C(F)(F)F | [N][#C][C][=C][C][Branch1][#C][N][C][C][Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F] | N#Cc1cc4ccc16.c15ccncc1.C3C5O.C6(F)(F)F.N34 |
1933208 | c1ccc(Cc2nccc(N3CCC(n4ccnn4)CC3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][C][=N][C][=C][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] | c16nccc5n1.N15CCC8CC1.c1ccc7cc1.n18ccnn1.C67 |
1933210 | COc1ccc2c(c1)CCCC2CNC(=O)NCCc1cscn1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=N][Ring1][Branch1] | c15ccc2c(c1)CCCC2C6.c18cscn1.C34=O.C7C8.CO5.N36.N47 |
1933211 | COc1ccc2c(c1)CCCC2CNC(=O)c1c(C)nn(C)c1C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | c14ccc2c(c1)CCCC2C5.c16c(C)nn(C)c1C.C36=O.CO4.N35 |
1933212 | COc1ccc2c(c1)CCCC2CNC(=O)c1cnn(C)c1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | c14ccc2c(c1)CCCC2C5.c16cnn(C)c1.C36=O.CO4.N35 |
1933213 | O=C(Nc1cnccn1)c1ccc2ncccc2c1 | [O][=C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ncccc2c1.c14cnccn1.O=C35.N34 |
1933214 | CC(Cc1cccc(F)c1)C(=O)Nc1cnccn1 | [C][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14cccc(F)c1.CC(C4)C2=O.c13cnccn1.N23 |
1933215 | Cc1ccc2cc(C(=O)Nc3cnccn3)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | Cc1ccc2cc6ccc2n1.c15cnccn1.C46=O.N45 |
1933216 | O=C(Nc1cnccn1)C1CC1c1ccc(F)cc1F | [O][=C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c13cnccn1.C14CC15.O=C24.N23 |
1933217 | CC(CC(=O)Nc1cnccn1)c1ccc(F)cc1F | [C][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.CC4CC2=O.c13cnccn1.N23 |
1933218 | Cc1ccccc1Cc1noc(Cn2cnc(C#N)c2C#N)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][O][C][Branch1][#C][C][N][C][=N][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][C][#N][=N][Ring1][#C] | n13cnc(C#N)c1C#N.Cc1ccccc16.c14noc5n1.C46.C35 |
1933220 | O=C(Nc1cnccn1)C1CC1c1cccc(F)c1 | [O][=C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c13cnccn1.C14CC15.O=C24.N23 |
1933221 | C=CC(CC(=O)Nc1cnccn1)c1ccccc1 | [C][=C][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C=CC4CC2=O.c13cnccn1.c14ccccc1.N23 |
1933223 | O=C(CCn1nc2ccccn2c1=O)Nc1cnccn1 | [O][=C][Branch1][P][C][C][N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | n15nc2ccccn2c1=O.c14cnccn1.O=C3CC5.N34 |
1933224 | COc1ccc(C(C)CC(=O)Nc2cnccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.C6(C)CC3=O.c15cnccn1.CO4.N35 |
1933225 | O=C(CCc1ccc(F)cc1F)Nc1cnccn1 | [O][=C][Branch1][#C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14ccc(F)cc1F.c13cnccn1.O=C2CC4.N23 |
1933227 | O=C(CC(c1ccccc1)C(F)(F)F)Nc1cnccn1 | [O][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | O=C2CC4C(F)(F)F.c14ccccc1.c13cnccn1.N23 |
1933228 | Cc1ccc(OCc2nnc(-c3ccccc3)s2)c(CO)n1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][C][Branch1][Ring1][C][O][=N][Ring2][Ring1][Branch1] | Cc1ccc5c7n1.c16nnc8s1.c18ccccc1.O45.C46.C7O |
1933231 | Cn1cc(Cl)cc1C(=O)NC(C(N)=O)c1ccc(F)cc1 | [C][N][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cn1cc(Cl)cc14.c15ccc(F)cc1.C35C(N)=O.C24=O.N23 |
1933233 | C=CCOC1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1 | [C][=C][C][O][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][S] | S5(=O)(=O)c1c(F)cccc1Cl.C14CCN5C1.C=CC3.O34 |
1933234 | Cc1nn(C(C)(C)C)cc1C(C)NC(=O)NCc1ccsc1 | [C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=Ring1][Branch1] | Cc1nn6cc17.c18ccsc1.C6(C)(C)C.C47C.C23=O.N24.N35.C58 |
1933235 | COC(C(=O)NC(C(N)=O)c1ccc(F)cc1)c1ccccc1 | [C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(F)cc1.c15ccccc1.C35C2=O.C46C(N)=O.CO3.N24 |
1933236 | Cc1nnc(COC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)n1C | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Branch1][C] | Cc1nnc6n1C.c17ccc(Cl)cc1.c15c[nH]nc17.C35=O.C46.O34 |
1933237 | O=C(OC1CCOC1)c1c[nH]nc1-c1ccccc1Cl | [O][=C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c14c[nH]nc15.C13CCOC1.O=C24.O23 |
1933238 | O=C(OC1CCOC1)c1c[nH]nc1-c1c(F)cccc1F | [O][=C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c15c(F)cccc1F.c14c[nH]nc15.C13CCOC1.O=C24.O23 |
1933239 | O=C(OC1CCOC1)c1c[nH]nc1-c1ccc(F)cc1 | [O][=C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14c[nH]nc15.C13CCOC1.O=C24.O23 |
1933240 | O=C(OCCN1CCCCC1=O)c1c[nH]nc1-c1ccccc1 | [O][=C][Branch1][=N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15CCCCC1=O.c14c[nH]nc16.c16ccccc1.O=C24.C3C5.O23 |
1933241 | CCc1nnc(COC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)n1C | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Branch1][C] | c16nnc7n1C.c18ccc(Cl)cc1.c15c[nH]nc18.C35=O.CC6.C47.O34 |
1933242 | O=C1CC(COC(=O)c2c[nH]nc2-c2ccccc2Cl)CN1 | [O][=C][C][C][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][N][Ring2][Ring1][Branch1] | c17ccccc1Cl.O=C1CC6CN1.c15c[nH]nc17.C35=O.C46.O34 |
1933243 | O=C1CC(COC(=O)c2c[nH]nc2-c2ccccc2)CN1 | [O][=C][C][C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][Ring2] | O=C1CC6CN1.c15c[nH]nc17.c17ccccc1.C35=O.C46.O34 |
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