ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1929168 | Cn1cc(-c2nnn3c2COC(CNCc2nccs2)C3)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][N][=N][N][C][=Ring1][Branch1][C][O][C][Branch1][O][C][N][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][=C][C][=N][Ring2][Ring1][=Branch1] | c18nnn2c1COC6C2.Cn1cc8cn1.c17nccs1.C46.N45.C57 |
1929169 | COCC(=O)NCC1Cn2nnc(-c3cnn(C)c3)c2CO1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][N][N][=N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][O][C][O][Ring1][#C] | C17Cn2nnc8c2CO1.c18cnn(C)c1.C5C4=O.CO5.N46.C67 |
1929170 | CCOCC(=O)NCC1Cn2nnc(-c3cnn(C)c3)c2CO1 | [C][C][O][C][C][=Branch1][C][=O][N][C][C][C][N][N][=N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][O][C][O][Ring1][#C] | C18Cn2nnc9c2CO1.c19cnn(C)c1.C6C4=O.CC5.O56.N47.C78 |
1929171 | O=C(NCC1Cn2nnc(-c3ccoc3)c2CO1)C1CCOC1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][C][N][N][=N][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][#Branch2][C][O][Ring1][=C][C][C][C][O][C][Ring1][Branch1] | C17Cn2nnc8c2CO1.c18ccoc1.C16CCOC1.O=C46.N45.C57 |
1929172 | O=S(=O)(NCC1Cn2nnc(-c3ccoc3)c2CO1)C1CC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch2][N][C][C][C][N][N][=N][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][#Branch2][C][O][Ring1][=C][C][C][C][Ring1][Ring1] | C16Cn2nnc7c2CO1.O=S5(=O)C1CC1.c17ccoc1.N45.C46 |
1929174 | CC(=O)NCC(=O)NCC1Cn2nnc(-c3cccnc3)c2CO1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][O][C][O][Ring1][#C] | C18Cn2nnc9c2CO1.c19cccnc1.C6C5=O.CC4=O.N46.N57.C78 |
1929175 | O=C(NCC1Cn2nnc(-c3cncnc3)c2CO1)c1ccc[nH]1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][C][N][N][=N][C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][Ring1][O][C][O][Ring1][#C][C][=C][C][=C][NH1][Ring1][Branch1] | C17Cn2nnc8c2CO1.c18cncnc1.c16ccc[nH]1.O=C46.N45.C57 |
1929176 | CCc1cnc(NCC2COCc3c(C)nnn3C2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][O][C][C][=C][Branch1][C][C][N][=N][N][Ring1][=Branch1][C][Ring1][O][N][=C][Ring2][Ring1][Ring1] | C16COCc2c(C)nnn2C1.c17cnc5nc1.CC7.N45.C46 |
1929177 | Cc1ccsc1C(=O)NCC1COCc2c(C)nnn2C1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][C][=C][Branch1][C][C][N][=N][N][Ring1][=Branch1][C][Ring1][O] | C16COCc2c(C)nnn2C1.Cc1ccsc15.C35=O.N34.C46 |
1929178 | O=C1NC2(CCN(c3ncccn3)CC2)CC1c1cccnc1 | [O][=C][N][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C1NC2(CCN4CC2)CC15.c14ncccn1.c15cccnc1 |
1929179 | O=C1NC2(CCN(C(=O)c3cnccn3)CC2)CC1c1ccncc1 | [O][=C][N][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring2][Ring1][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1NC2(CCN4CC2)CC16.c15cnccn1.c16ccncc1.C45=O |
1929180 | O=C1CC(c2cccnc2)C2(CCN(C(=O)c3ccnnc3)CC2)N1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][=C][N][Ring2][Ring1][Branch2] | O=C1CC6C2(CCN4CC2)N1.c16cccnc1.c15ccnnc1.C45=O |
1929181 | Cn1cc(C2CC(=O)NC23CCN(c2ncccn2)CC3)cn1 | [C][N][C][=C][Branch2][Ring1][N][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=N][Ring2][Ring1][=Branch1] | C15CC(=O)NC12CCN4CC2.Cn1cc5cn1.c14ncccn1 |
1929182 | Cn1cc(C2CC(=O)NC23CCN(c2ncc(F)cn2)CC3)cn1 | [C][N][C][=C][Branch2][Ring1][#C][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][=N][C][=N][Ring2][Ring1][#Branch1] | C15CC(=O)NC12CCN4CC2.c14ncc(F)cn1.Cn1cc5cn1 |
1929183 | Cn1cc(C2CC(=O)NC23CCN(C(=O)c2ccncc2)CC3)cn1 | [C][N][C][=C][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=N][Ring2][Ring1][Branch2] | C16CC(=O)NC12CCN4CC2.Cn1cc6cn1.c15ccncc1.C45=O |
1929184 | O=C1CC(c2ccncc2)C2(CCN(C(=O)C3CCOC3)CC2)N1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][C][Ring1][=N][N][Ring2][Ring1][#Branch1] | O=C1CC6C2(CCN4CC2)N1.c16ccncc1.C15CCOC1.C45=O |
1929185 | OC1CCN(Cc2ccco2)C1Cc1ccccc1 | [O][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | OC1CCN3C14.c16ccccc1.c15ccco1.C35.C46 |
1929186 | COc1cc(N2CCC(O)C2Cc2ccccc2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][Ring1] | c13cc4ncn1.N14CCC(O)C15.c16ccccc1.CO3.C56 |
1929187 | O=C(C1CC=CC1)N1CCC(O)C1Cc1ccccc1 | [O][=C][Branch1][Branch2][C][C][C][=C][C][Ring1][Branch1][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N12CCC(O)C14.c15ccccc1.C13CC=CC1.O=C23.C45 |
1929188 | COC1CCN(C(=O)C2CCCO2)C1Cc1ccccc1 | [C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C14CCN3C16.c17ccccc1.C15CCCO1.C35=O.CO4.C67 |
1929190 | COCCOC1CCN(C(=O)NC2CC2)C1Cc1ccccc1 | [C][O][C][C][O][C][C][C][N][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CCN3C19.c1%10ccccc1.C5C6.C34=O.C18CC1.CO5.O67.N48.C9%10 |
1929191 | N#Cc1cccc(CN2CCC(O)C2Cc2cccnc2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | N#Cc1cccc5c1.N13CCC(O)C14.c16cccnc1.C35.C46 |
1929192 | Cn1cccc1C(=O)N1CCC(O)C1Cc1cccnc1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | N12CCC(O)C14.Cn1cccc13.c15cccnc1.C23=O.C45 |
1929193 | O=C(c1ccc[nH]1)N1CCC(OCC2CC2)C1Cc1cccnc1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | N13CCC5C17.c19cccnc1.c16ccc[nH]1.O=C36.C18CC1.O45.C48.C79 |
1929194 | Cn1cc(CC2C(O)CCN2c2ncccn2)cn1 | [C][N][C][=C][Branch2][Ring1][Ring2][C][C][C][Branch1][C][O][C][C][N][Ring1][=Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring2][Ring1][C] | C14C(O)CCN13.Cn1cc5cn1.c13ncccn1.C45 |
1929196 | COC1CCN(c2ncc(F)cn2)C1Cc1cnn(C)c1 | [C][O][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][Ring1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C13CCN4C15.c14ncc(F)cn1.c16cnn(C)c1.CO3.C56 |
1929197 | CCc1cnc(N2CCC(OC)C2Cc2cnn(C)c2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][Ring1][O][C][C][Ring1][#Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2] | c16cnc4nc1.N14CCC3C15.c17cnn(C)c1.CC6.O3C.C57 |
1929198 | COC1CCN(S(=O)(=O)C2CC2)C1Cc1cnn(C)c1 | [C][O][C][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C13CCN4C15.S4(=O)(=O)C1CC1.c16cnn(C)c1.CO3.C56 |
1929199 | COCCOC1CCN(c2ncccn2)C1Cc1cnn(C)c1 | [C][O][C][C][O][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C15CCN6C17.c16ncccn1.c18cnn(C)c1.C3C4.CO3.O45.C78 |
1929200 | Cc1noc(C)c1CN1CCC(OCC2CC2)C1Cc1cnn(C)c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | Cc1noc(C)c18.N15CCC4C16.c19cnn(C)c1.C17CC1.C58.O34.C37.C69 |
1929201 | Cn1cc(CC2C(OCC3CC3)CCN2Cc2cccnc2)cn1 | [C][N][C][=C][Branch2][Ring1][O][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][N][Ring1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][#Branch1] | C17C5CCN16.Cn1cc9cn1.c1%10cccnc1.C18CC1.C79.O45.C48.C6%10 |
1929202 | O=S(=O)(C1CC1)N1CCC(OCC2CC2)C1Cc1ccncc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | N15CCC4C16.O=S5(=O)C1CC1.c18ccncc1.C17CC1.O34.C37.C68 |
1929203 | O=C(c1ccno1)N1CCC(O)C1Cc1ccccc1 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N12CCC(O)C14.c15ccccc1.c13ccno1.O=C23.C45 |
1929204 | O=C(c1ccc[nH]1)N1CCC(O)C1Cc1ccccc1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N12CCC(O)C14.c15ccccc1.c13ccc[nH]1.O=C23.C45 |
1929205 | CCOC1CCN(C(=O)c2ccc[nH]2)C1Cc1ccccc1 | [C][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CCN3C17.c18ccccc1.c16ccc[nH]1.C36=O.CC4.O45.C78 |
1929206 | CCOC1CCN(C(=O)C2CC=CC2)C1Cc1ccccc1 | [C][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1][C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CCN3C17.c18ccccc1.C16CC=CC1.C36=O.CC4.O45.C78 |
1929207 | O=C(c1ccc[nH]1)N1CCC(O)C1Cc1cccnc1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | N12CCC(O)C14.c15cccnc1.c13ccc[nH]1.O=C23.C45 |
1929208 | CCOC1CCN(Cc2cccc(C#N)c2)C1Cc1cccnc1 | [C][C][O][C][C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Ring1][=C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17cccc(C#N)c1.C14CCN5C16.c18cccnc1.CC3.O34.C57.C68 |
1929209 | CCOC1CCN(C(=O)c2ccc[nH]2)C1Cc1cccnc1 | [C][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | C15CCN3C17.c18cccnc1.c16ccc[nH]1.C36=O.CC4.O45.C78 |
1929210 | COCCOC1CCN(C(=O)c2ccc[nH]2)C1Cc1cccnc1 | [C][O][C][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | C16CCN3C18.c19cccnc1.c17ccc[nH]1.C4C5.C37=O.CO4.O56.C89 |
1929211 | C=CCOC1CCN(C(=O)c2ccc[nH]2)C1Cc1cccnc1 | [C][=C][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | C15CCN3C17.c18cccnc1.c16ccc[nH]1.C=CC4.C36=O.O45.C78 |
1929212 | O=C(NC1CC1)N1CCC(OCC2CC2)C1Cc1cccnc1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | N14CCC6C18.c1%10cccnc1.O=C34.C17CC1.C19CC1.N37.O56.C59.C8%10 |
1929213 | CCOC1CCN(C(=O)N(C)C)C1Cc1cnn(C)c1 | [C][C][O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][#Branch2][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C15CCN2C16.c17cnn(C)c1.C23=O.N3(C)C.CC4.O45.C67 |
1929214 | COCCOC1CCN(C(=O)NC(C)C)C1Cc1cnn(C)c1 | [C][O][C][C][O][C][C][C][N][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C16CCN2C18.c19cnn(C)c1.C4C5.C23=O.C7(C)C.CO4.O56.N37.C89 |
1929215 | Cn1cc(CC2C(OCC3CC3)CCN2C(=O)c2cccn2C)cn1 | [C][N][C][=C][Branch2][Ring1][=C][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][=N][Ring2][Ring1][Branch2] | C18C6CCN14.Cn1cc%10cn1.c17cccn1C.C19CC1.C47=O.C8%10.O56.C59 |
1929216 | COC1CCN(C(=O)c2cc(C)on2)C1Cc1ccncc1 | [C][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][Ring1][=N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | C14CCN3C16.c15cc(C)on1.c17ccncc1.C35=O.CO4.C67 |
1929217 | COC1CCN(C(=O)Cc2ccc(F)cc2)C1Cc1ccncc1 | [C][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | C14CCN3C15.c16ccc(F)cc1.c17ccncc1.C3(=O)C6.CO4.C57 |
1929218 | c1coc(CN2CCC(OCC3CC3)C2Cc2ccncc2)c1 | [C][=C][O][C][Branch2][Ring1][O][C][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | N16CCC5C17.c1%10ccncc1.c1coc8c1.C19CC1.C68.O45.C49.C7%10 |
1929219 | O=C(c1ccsc1)N1CCC(OCC2CC2)C1Cc1ccncc1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | N13CCC5C17.c19ccncc1.c16ccsc1.O=C36.C18CC1.O45.C48.C79 |
1929220 | CS(=O)(=O)NC1CCN(C(=O)NC2CC2)C1Cc1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16CCN3C18.c19ccccc1.CS5(=O)=O.C34=O.C17CC1.N56.N47.C89 |
1929221 | c1cncc(CC2C(N3CCOCC3)CCN2Cc2ccsc2)c1 | [C][=C][N][=C][C][Branch2][Ring1][O][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][N][Ring1][O][C][C][C][=C][S][C][=Ring1][Branch1][=C][Ring2][Ring1][Branch2] | C16C5CCN14.c1cncc7c1.N15CCOCC1.c18ccsc1.C67.C48 |
1929222 | CS(=O)(=O)NC1CCN(Cc2ccccc2)C1Cc1cccnc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | C15CCN3C16.c17ccccc1.c18cccnc1.CS4(=O)=O.N45.C37.C68 |
1929223 | Cn1cc(CC2C(N3CCOCC3)CCN2Cc2ccccn2)cn1 | [C][N][C][=C][Branch2][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][N][Ring1][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch2] | C16C5CCN14.Cn1cc8cn1.N15CCOCC1.c17ccccn1.C68.C47 |
1929224 | Cn1cc(CC2C(NS(C)(=O)=O)CCN2C(N)=O)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][N][Ring1][#Branch2][C][Branch1][C][N][=O][C][=N][Ring2][Ring1][Ring1] | C16C5CCN13.Cn1cc7cn1.S4(C)(=O)=O.C3(N)=O.C67.N45 |
1929225 | CC(C)NC(=O)N1CCC(NS(C)(=O)=O)C1Cc1cnn(C)c1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | N13CCC6C17.c18cnn(C)c1.S5(C)(=O)=O.CC4C.C23=O.N24.N56.C78 |
1929226 | O=C(c1ccoc1)N1CCC(N2CCOCC2)C1Cc1ccncc1 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | N13CCC4C16.N14CCOCC1.c17ccncc1.c15ccoc1.O=C35.C67 |
1929227 | O=C1COC2(CCN(C(=O)c3ccncc3)CC2)CN1CC1CC1 | [O][=C][C][O][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][N][Ring2][Ring1][Ring1][C][C][C][C][Ring1][Ring1] | O=C1COC2(CCN4CC2)CN16.c15ccncc1.C45=O.C17CC1.C67 |
1929228 | CS(=O)(=O)N1CCC2(CC1)CN(CCn1cccn1)C(=O)CO2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][O][Ring1][S] | N13CCC2(CC1)CN5C(=O)CO2.n14cccn1.CS3(=O)=O.C5C4 |
1929229 | O=C(CC1CC1)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][Ring1][S] | N13CCC2(CC1)CN4C(=O)CO2.c16cccnc1.O=C3C5.C15CC1.C46 |
1929230 | CC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccncc1)CC2 | [C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][Ring1][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | CC1N5C(=O)COC12CCN3CC2.c14ccncc1.C16CC1.C34=O.C56 |
1929231 | CC1CN(S(=O)(=O)c2ccc(F)cc2)CC12CCN(C)C2=O | [C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O] | CC1CN3CC12CCN(C)C2=O.S3(=O)(=O)c1ccc(F)cc1 |
1929232 | CCN1CCC2(CN(S(=O)(=O)c3ccc(F)cc3)CC2C)C1=O | [C][C][N][C][C][C][Branch2][Ring1][=N][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][C][Ring2][Ring1][Ring2][=O] | N15CCC2(CN4CC2C)C1=O.S4(=O)(=O)c1ccc(F)cc1.CC5 |
1929233 | C=CCN1CCC2(CN(C(=O)c3cscn3)CC2C)C1=O | [C][=C][C][N][C][C][C][Branch2][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][N][C][C][Ring1][P][=O] | N16CCC2(CN4CC2C)C1=O.c15cscn1.C=CC6.C45=O |
1929234 | CC1CN(Cc2nccs2)CC12CCN(Cc1cccnc1)C2=O | [C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O] | CC1CN3CC12CCN4C2=O.c16cccnc1.c15nccs1.C35.C46 |
1929235 | CC1CN(C(=O)c2ccoc2)CC12CCN(c1ccsc1)C2=O | [C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][N][C][C][N][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O] | CC1CN3CC12CCN5C2=O.c14ccoc1.c15ccsc1.C34=O |
1929236 | Cc1occc1C(=O)N1CC(C)C2(CCN(c3ccsc3)C2=O)C1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][Branch1][P][C][C][N][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][Ring1][S] | N14CC(C)C2(CCN6C2=O)C1.Cc1occc15.c16ccsc1.C45=O |
1929237 | CC1CN(C(=O)C2CCCO2)CC12CCN(c1ccsc1)C2=O | [C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][N][C][C][N][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O] | CC1CN3CC12CCN5C2=O.C14CCCO1.c15ccsc1.C34=O |
1929238 | COCCN1CC(c2ccccc2)C2(CCNC2=O)C1 | [C][O][C][C][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][C][N][C][Ring1][Branch1][=O][C][Ring1][S] | N14CC5C2(CCNC2=O)C1.c15ccccc1.C3C4.CO3 |
1929239 | COCC(=O)N1CC(c2ccccc2)C2(CCNC2=O)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][C][N][C][Ring1][Branch1][=O][C][Ring1][S] | N13CC5C2(CCNC2=O)C1.c15ccccc1.C4C3=O.CO4 |
1929240 | CCS(=O)(=O)N1CC(c2ccccc2)C2(CCNC2=O)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][C][N][C][Ring1][Branch1][=O][C][Ring1][S] | N13CC4C2(CCNC2=O)C1.c14ccccc1.CCS3(=O)=O |
1929241 | CCCS(=O)(=O)N1CC(c2ccccc2)C2(CCNC2=O)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][C][N][C][Ring1][Branch1][=O][C][Ring1][S] | N13CC4C2(CCNC2=O)C1.CCCS3(=O)=O.c14ccccc1 |
1929242 | NC(=O)N1CC(c2ccccc2)C2(CCNC2=O)C1 | [N][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][C][N][C][Ring1][Branch1][=O][C][Ring1][S] | N13CC4C2(CCNC2=O)C1.c14ccccc1.NC3=O |
1929243 | CN1CCC2(CN(S(C)(=O)=O)CC2c2ccccc2)C1=O | [C][N][C][C][C][Branch2][Ring1][=Branch2][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | CN1CCC2(CN3CC24)C1=O.c14ccccc1.S3(C)(=O)=O |
1929244 | CCN1CCC2(CN(S(C)(=O)=O)CC2c2ccccc2)C1=O | [C][C][N][C][C][C][Branch2][Ring1][=Branch2][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | N14CCC2(CN3CC25)C1=O.c15ccccc1.S3(C)(=O)=O.CC4 |
1929245 | C=CCN1CCC2(CN(CCOC)CC2c2ccccc2)C1=O | [C][=C][C][N][C][C][C][Branch2][Ring1][Branch1][C][N][Branch1][Branch1][C][C][O][C][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | N15CCC2(CN4CC26)C1=O.c16ccccc1.C=CC5.C4C3.O3C |
1929246 | C=CCN1CCC2(CN(C(=O)NC(C)C)CC2c2ccccc2)C1=O | [C][=C][C][N][C][C][C][Branch2][Ring1][O][C][N][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | N16CCC2(CN3CC27)C1=O.c17ccccc1.C=CC6.C34=O.C5(C)C.N45 |
1929247 | O=C(c1ccno1)N1CCOCC2(CCN(c3ncccn3)C2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][O][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][P] | N14CCOCC2(CCN5C2)C1.c15ncccn1.c16ccno1.O=C46 |
1929248 | COCC(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][P] | N14CCOCC2(CCN6C2)C1.c16ncccn1.C5C4=O.CO5 |
1929249 | COCCC(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1 | [C][O][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][P] | N14CCOCC2(CCN6C2)C1.c16ncccn1.C5CC4=O.CO5 |
1929250 | CCOCC(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1 | [C][C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][P] | N14CCOCC2(CCN7C2)C1.c17ncccn1.C6C4=O.CC5.O56 |
1929251 | CS(=O)(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][P] | N14CCOCC2(CCN5C2)C1.c15ncccn1.CS4(=O)=O |
1929252 | CCS(=O)(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][P] | N14CCOCC2(CCN5C2)C1.c15ncccn1.CCS4(=O)=O |
1929253 | O=S(=O)(C1CC1)N1CCOCC2(CCN(c3ncccn3)C2)C1 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][P] | N14CCOCC2(CCN5C2)C1.O=S4(=O)C1CC1.c15ncccn1 |
1929254 | CC(=O)N1CCOCC2(C1)CN(c1ncccn1)CC2C | [C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C] | N13CCOCC2(C1)CN4CC2C.c14ncccn1.CC3=O |
1929255 | CC1CN(c2ncccn2)CC12COCCN(S(C)(=O)=O)C2 | [C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][O][C][O][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O] | CC1CN4CC12COCCN3C2.c14ncccn1.S3(C)(=O)=O |
1929256 | c1cnc(N2CCC3(C2)CN(c2nccs2)C3)nc1 | [C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring1] | N14CCC2(C1)CN5C2.c1cnc4nc1.c15nccs1 |
1929257 | O=C(C1CC=CC1)N1CC2(CCN(c3ncccn3)C2)C1 | [O][=C][Branch1][Branch2][C][C][C][=C][C][Ring1][Branch1][N][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][=C] | N14CC2(CCN5C2)C1.c15ncccn1.C16CC=CC1.O=C46 |
1929258 | Cc1ccc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][O][C][Ring1][=C][N][=N][Ring2][Ring1][Ring2] | N16CC2(CCN5C2)C1.Cc1ccc6nn1.S5(=O)(=O)C1CC1 |
1929259 | Cc1cnc(N2CCC3(C2)CN(S(=O)(=O)C2CC2)C3)nc1 | [C][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][O][N][=C][Ring2][Ring1][Ring2] | N15CCC2(CN4C2)C1.Cc1cnc5nc1.S4(=O)(=O)C1CC1 |
1929260 | CN1CC2(CCN(C(=O)Nc3ccccc3)CC2)C1=O | [C][N][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][Ring2][Ring1][C][=O] | CN1CC2(CCN4CC2)C1=O.c16ccccc1.C45=O.N56 |
1929261 | COCCN1CC2(CCN(C(=O)c3cnoc3C)CC2)C1=O | [C][O][C][C][N][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][C][C][Ring1][=C][C][Ring1][P][=O] | N17CC2(CCN4CC2)C1=O.c16cnoc1C.C5C7.C46=O.CO5 |
1929262 | COCCN1CC2(CCN(C(=O)Nc3cccc(C)c3)CC2)C1=O | [C][O][C][C][N][C][C][Branch2][Ring1][#Branch2][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring1][=O] | N18CC2(CCN4CC2)C1=O.c17cccc(C)c1.C6C8.C45=O.CO6.N57 |
1929263 | N#Cc1ccc(N2CCC3(CC2)CN(CC2CC2)C3=O)nc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][=O][N][=C][Ring2][Ring1][Ring2] | N14CCC2(CC1)CN5C2=O.N#Cc1ccc4nc1.C16CC1.C56 |
1929264 | O=C1N(Cc2cccnc2)CC12CCN(c1ncccn1)CC2 | [O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][O][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | O=C1N4CC12CCN3CC2.c15cccnc1.c13ncccn1.C45 |
1929265 | O=C(c1ccco1)N1CCC2(CC1)CN(c1ccccc1)C2=O | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] | N13CCC2(CC1)CN5C2=O.c15ccccc1.c14ccco1.O=C34 |
1929266 | CC(=O)NCC(=O)N1CCC2(CC1)CN(c1ccccc1)C2=O | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] | N14CCC2(CC1)CN6C2=O.c16ccccc1.C5C4=O.CC3=O.N35 |
1929267 | Cc1occc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=N][=O] | N13CCC2(CC1)CN5C2=O.c15cccc(F)c1.Cc1occc14.C34=O |
1929268 | CCS(=O)(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=N][=O] | N13CCC2(CC1)CN4C2=O.c14cccc(F)c1.CCS3(=O)=O |
1929269 | CCCS(=O)(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=N][=O] | N13CCC2(CC1)CN4C2=O.c14cccc(F)c1.CCCS3(=O)=O |
1929270 | O=C(NC1CC1)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=N][=O] | N14CCC2(CC1)CN6C2=O.c16cccc(F)c1.O=C34.C15CC1.N35 |
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