ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1932211 | O=C(NCCO)C1(c2ccc(Br)cc2)CCCC1 | [O][=C][Branch1][Branch1][N][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16ccc(Br)cc1.C156CCCC1.O=C35.C4CO.N34 |
1932212 | Cc1nn(CC(=O)NCCCc2ccccc2F)c(C)c1C | [C][C][=N][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][C] | Cc1nn5c(C)c1C.c16ccccc1F.C5C3=O.C4CC6.N34 |
1932213 | CCC(c1cccnc1)N(C)C(=O)c1c[nH]c(=O)c2ccccc12 | [C][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15c[nH]c(=O)c2ccccc12.c16cccnc1.CCC46.N34C.C35=O |
1932214 | CC(C)Oc1cccc(CCNC(=O)C2CCOC2)c1 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][=C][Ring1][S] | c15cccc8c1.C17CCOC1.CC4C.C8C6.C37=O.O45.N36 |
1932215 | Cc1csc(=O)n1CC(=O)N(Cc1cccnc1)Cc1ccco1 | [C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1csc(=O)n15.c17cccnc1.c16ccco1.C5C2=O.N234.C37.C46 |
1932216 | COCCN1C(=O)C2CCC1CN(C(=O)c1cc(C3CC3)[nH]n1)C2 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][C][Ring1][P] | N17C(=O)C2CCC1CN4C2.c16cc8[nH]n1.C5C7.C46=O.C18CC1.CO5 |
1932217 | O=C(c1cncc(-c2ccc(Cl)cc2)n1)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | c14cncc5n1.c15ccc(Cl)cc1.N13CCCC1.O=C34 |
1932218 | CN(C)C(=O)c1ccc(CNC(=O)Cc2ccc(O)cc2)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c16ccc7cc1.c18ccc(O)cc1.C4(=O)C8.CN3C.C36=O.C57.N45 |
1932219 | CC(C)N(C)C(=O)c1cccnc1Sc1ccccc1 | [C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccnc15.c16ccccc1.CC3C.N23C.C24=O.S56 |
1932220 | Cc1nc2cc(F)ccc2cc1C(=O)N(C)C(C)C | [C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C] | Cc1nc2cc(F)ccc2cc15.C35=O.N34C.C4(C)C |
1932221 | CC(CC#N)N1CCN(Cc2cccc(Cl)c2)CC1 | [C][C][Branch1][Ring2][C][C][#N][N][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=C] | N13CCN4CC1.c15cccc(Cl)c1.CC3CC#N.C45 |
1932222 | CC(CC#N)N1CCN(Cc2c(F)cccc2Cl)CC1 | [C][C][Branch1][Ring2][C][C][#N][N][C][C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] | c15c(F)cccc1Cl.N13CCN4CC1.CC3CC#N.C45 |
1932223 | CCCNC(=O)C1CN(Cc2noc(C3CC3)n2)c2ccccc2O1 | [C][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][S][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1] | C17CN6c2ccccc2O1.c18noc9n1.CCC5.C47=O.C19CC1.N45.C68 |
1932224 | CCCNC(=O)C1CN(Cc2noc(C(C)C)n2)c2ccccc2O1 | [C][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][S][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1] | C16CN5c2ccccc2O1.c17noc8n1.CCC4.C36=O.C8(C)C.N34.C57 |
1932226 | COc1ccc(Cl)cc1CN1CCN(C(C)CC#N)CC1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][C][N][Branch1][Branch2][C][Branch1][C][C][C][C][#N][C][C][Ring1][O] | c12ccc(Cl)cc15.N13CCN4CC1.C4(C)CC#N.CO2.C35 |
1932227 | CC(C)(C)C(NCC(=O)Nc1nncs1)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][#C][N][C][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC(C)(C)C36.c16ccccc1.c15nncs1.C4C2=O.N34.N25 |
1932228 | CC(C)(C)C(NCc1nc(N)nc(N)n1)c1ccc(F)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][P][N][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14nc(N)nc(N)n1.c15ccc(F)cc1.CC(C)(C)C25.N23.C34 |
1932229 | CC(C)(C)NS(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc(Cl)c2ncccc12.CC3(C)C.N34 |
1932230 | CNS(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S3(=O)(=O)c1ccc(Cl)c2ncccc12.CN3 |
1932231 | CCNS(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc(Cl)c2ncccc12.CC3.N34 |
1932232 | C=CCNS(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc(Cl)c2ncccc12.C=CC3.N34 |
1932233 | CC(C)N(C)S(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][C][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc(Cl)c2ncccc12.CC3C.N34C |
1932234 | CCCNS(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc(Cl)c2ncccc12.CCC3.N34 |
1932235 | COC(=O)CCNS(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][O][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S5(=O)(=O)c1ccc(Cl)c2ncccc12.C3(=O)CC4.CO3.N45 |
1932237 | CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S6(=O)(=O)c1ccc(Cl)c2ncccc12.C3(=O)C5.CC4.N34.N56 |
1932238 | CN(Cc1cnc(N(C)C)nc1)C(=O)c1cc2ccccn2c1 | [C][N][Branch1][P][C][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2] | c16cc2ccccn2c1.c17cnc5nc1.CN34.N5(C)C.C36=O.C47 |
1932239 | O=C(OC1CCN(CC(F)F)CC1)c1cc(F)ccc1F | [O][=C][Branch2][Ring1][C][O][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c15cc(F)ccc1F.C13CCN4CC1.C4C(F)F.O=C25.O23 |
1932240 | COc1ccccc1C(=O)OC1CCN(CC(F)F)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2] | c14ccccc16.C13CCN5CC1.C5C(F)F.C26=O.CO4.O23 |
1932241 | Cc1nc(C)c(C(=O)Nc2ccnc(C)c2Cl)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][S][Ring1][P] | c14ccnc(C)c1Cl.Cc1nc(C)c5s1.C35=O.N34 |
1932242 | O=C(NCc1ccc(=O)[nH]c1)c1ccc(O)c(Cl)c1 | [O][=C][Branch1][=C][N][C][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(O)c(Cl)c1.c15ccc(=O)[nH]c1.O=C24.N23.C35 |
1932243 | CN(C)c1nc(CS(=O)(=O)c2ncccc2Cl)ns1 | [C][N][Branch1][C][C][C][=N][C][Branch2][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][=N][S][Ring1][S] | C4S(=O)(=O)c1ncccc1Cl.c13nc4ns1.CN3C |
1932245 | CCOC(=O)c1sc(C=Cc2cncnc2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][O][C][=C][C][=C][N][=C][N][=C][Ring1][=Branch1][=N][C][=Ring1][=N][C] | c15sc(C=6)nc1C.C=6c1cncnc1.C35=O.CC4.O34 |
1932246 | Cc1ncsc1-c1nc(CNc2cc(F)c(F)cc2F)no1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=N][C][Branch2][Ring1][C][C][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][=N][O][Ring1][S] | c14cc(F)c(F)cc1F.Cc1ncsc16.c16nc5no1.C35.N34 |
1932247 | Cc1nnc(CN(C(=O)c2cc(C)c(C)cc2Cl)C(C)(C)C)o1 | [C][C][=N][N][=C][Branch2][Ring1][P][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Cl][C][Branch1][C][C][Branch1][C][C][C][O][Ring2][Ring1][=Branch1] | c16cc(C)c(C)cc1Cl.Cc1nnc7o1.C5(C)(C)C.N345.C36=O.C47 |
1932248 | Cc1cc(Cl)c(C(=O)Nc2nccn(C3CC3)c2=O)cc1C | [C][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Ring2][C] | Cc1cc(Cl)c6cc1C.c15nccn7c1=O.C46=O.C17CC1.N45 |
1932249 | Cn1ncc2c(=O)c(C(=O)N3CCCC3c3cccs3)c[nH]c21 | [C][N][N][=C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][=C][NH1][C][=Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | Cn1ncc2c(=O)c5c[nH]c21.N14CCCC16.c16cccs1.C45=O |
1932250 | Cc1nscc1C(=O)OCc1nc2ccc(F)cc2o1 | [C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c16nc2ccc(F)cc2o1.Cc1nscc15.C35=O.O34.C46 |
1932251 | Cc1nscc1C(=O)OCc1ccc2c(c1)COC2 | [C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1] | c16ccc2c(c1)COC2.Cc1nscc15.C35=O.O34.C46 |
1932253 | Cc1cc(NC(=O)c2csnc2C)n(-c2ccccc2F)n1 | [C][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=Ring2][Ring1][Branch1] | Cc1cc4n6n1.c16ccccc1F.c15csnc1C.C35=O.N34 |
1932254 | Cc1nscc1C(=O)N1CCN(C(C)C(=O)NC(C)C)CC1 | [C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=C] | N12CCN4CC1.Cc1nscc16.C4(C)C3=O.C26=O.C5(C)C.N35 |
1932255 | Cc1nscc1C(=O)NC(C#N)c1cnn(-c2ccccc2)c1 | [C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O] | Cc1nscc15.c16cnn7c1.c17ccccc1.C46C#N.C35=O.N34 |
1932256 | CN(CCN(C)c1ccccc1)C(=O)c1c[nH]c2c(cnn2C)c1=O | [C][N][Branch1][#C][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][C][Ring1][#Branch2][=O] | c17c[nH]c2c(cnn2C)c1=O.c16ccccc1.CN34.C4C5.N56C.C37=O |
1932258 | COC(=O)c1ccc(Cl)c(CNC2(C(N)=O)CCCCC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][C][C][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][C] | c17ccc(Cl)c8c1.C156CCCCC1.C37=O.C6(N)=O.CO3.C48.N45 |
1932259 | COc1ccc(Cn2nc(C)cc2NC(=O)c2csnc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc8cc1.n17nc(C)cc15.c16csnc1C.C36=O.CO4.C78.N35 |
1932260 | COc1ccc2c(c1)OCC(NC(=O)c1csnc1C)C2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][C][Ring1][S] | c14ccc2c(c1)OCC5C2.c16csnc1C.C36=O.CO4.N35 |
1932261 | COCc1noc(-c2cccc(NC(=O)c3csnc3C)c2C)n1 | [C][O][C][C][=N][O][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][=C][Ring1][#C][C][=N][Ring2][Ring1][Branch1] | c19cccc6c1C.c18noc9n1.c17csnc1C.C47=O.CO5.C58.N46 |
1932262 | CN(C)C(=O)CC1CCN(C(=O)NCc2ccc3c(c2)CCC3)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c19ccc2c(c1)CCC2.C18CCN5CC1.C4(=O)C8.CN4C.C56=O.N67.C79 |
1932263 | Cc1n[nH]c(C)c1C1CCCCCN1C(=O)NCCC1CC1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Ring1] | C16CCCCCN12.Cc1n[nH]c(C)c16.C23=O.C4C5.C15CC1.N34 |
1932264 | O=C1CCCCN1CSc1nnnn1CCc1cccs1 | [O][=C][C][C][C][C][N][Ring1][=Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1] | O=C1CCCCN13.c15nnnn12.c14cccs1.C3S5.C2C4 |
1932265 | O=C1CCCCN1CSc1nnc2ccc(C(F)(F)F)cn12 | [O][=C][C][C][C][C][N][Ring1][=Branch1][C][S][C][=N][N][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][Ring1][=N][Ring1][#Branch2] | c15nnc2ccc4cn12.O=C1CCCCN13.C4(F)(F)F.C3S5 |
1932266 | Cc1nnc(SCc2nc(C)c3ccccc3n2)c(C#N)c1C | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=N][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Branch1][C] | c15nc(C)c2ccccc2n1.Cc1nnc6c(C#N)c1C.S46.C45 |
1932267 | COc1ccc(CC(C)C(=O)N=c2[nH]cc(C)[nH]2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][=C][NH1][C][=C][Branch1][C][C][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | C5C(C)C(=O)N=c1[nH]cc(C)[nH]1.c13ccc5cc14.CO3.O4C |
1932268 | Cc1[nH]cc(C(=O)NCc2csc(=O)[nH]2)c(=O)c1Br | [C][C][NH1][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][S][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][P][Br] | Cc1[nH]cc5c(=O)c1Br.c16csc(=O)[nH]1.C35=O.N34.C46 |
1932269 | Cc1ncc(Cl)c(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)n1 | [C][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=N][NH1][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][=N][=N][Ring2][Ring1][#Branch1] | Cc1ncc(Cl)c6n1.c18cccc(F)c1.c15n[nH]c7n1.C46=O.N45.C78 |
1932270 | Cc1nn(C)cc1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][NH1][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][=N] | Cc1nn(C)cc15.c17cccc(F)c1.c14n[nH]c6n1.C35=O.N34.C67 |
1932271 | CCOC(=O)c1cc(NC(=O)C2CCC(F)(F)CC2)[nH]n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][NH1][N][=Ring1][S] | C18CCC(F)(F)CC1.c17cc6[nH]n1.C37=O.C48=O.CC5.O35.N46 |
1932272 | Cc1nc(CN(C)C(=O)Nc2cccc(-c3nccs3)c2)no1 | [C][C][=N][C][Branch2][Ring1][N][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][O][=N][O][Ring2][Ring1][=Branch1] | c17cccc9c1.Cc1nc8no1.c19nccs1.N46C.C45=O.C68.N57 |
1932274 | Cc1nc(CN(C)C(=O)Nc2ccc3c(c2)C(=O)CCC3)no1 | [C][C][=N][C][Branch2][Ring1][=C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2][=N][O][Ring2][Ring1][=Branch1] | c17ccc2c(c1)C(=O)CCC2.Cc1nc8no1.N46C.C45=O.C68.N57 |
1932275 | COc1ccc(C(=O)N=c2sccn2C)cc1-n1cnnn1 | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][=C][S][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][#C][N][C][=N][N][=N][Ring1][Branch1] | C4(=O)N=c1sccn1C.c13ccc4cc15.n15cnnn1.CO3 |
1932276 | Cc1ccc(-c2ccc(C(=O)NCCC(=O)N3CCCC3)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Ring1][P][O][Ring2][Ring1][=Branch1] | Cc1ccc8o1.c18ccc7s1.C6CC5=O.N15CCCC1.C47=O.N46 |
1932277 | Cc1oc(-c2nc(-c3cccs3)no2)cc1S(N)(=O)=O | [C][C][O][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][C][=Ring1][#C][S][Branch1][C][N][=Branch1][C][=O][=O] | Cc1oc4cc1S(N)(=O)=O.c14nc5no1.c15cccs1 |
1932278 | NS(=O)(=O)c1cc(-c2nc(-c3ccccn3)no2)co1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][O][Ring1][S] | NS(=O)(=O)c1cc5co1.c15nc4no1.c14ccccn1 |
1932279 | Cc1ccc(-c2noc(-c3cc(S(N)(=O)=O)c(C)o3)n2)cc1F | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=N][O][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][C][C][O][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][F] | c14cc(S(N)(=O)=O)c(C)o1.Cc1ccc5cc1F.c15noc4n1 |
1932280 | Cc1oc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1S(N)(=O)=O | [C][C][O][C][Branch2][Ring1][Branch2][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][O][Ring1][=N][=C][C][=Ring2][Ring1][C][S][Branch1][C][N][=Branch1][C][=O][=O] | Cc1oc4cc1S(N)(=O)=O.c15ccc(F)c(F)c1.c14nc5no1 |
1932281 | NS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3Cl)no2)o1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][=N][O][Ring2][Ring1][C] | NS(=O)(=O)c1ccc4o1.c15ccc(F)cc1Cl.c14nc5no1 |
1932282 | O=c1n(Cc2ccccc2)c2ccncc2n1Cc1nnc(C2CC2)o1 | [O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][S][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2] | O=c1n3c2ccncc2n14.c16ccccc1.c15nnc7o1.C17CC1.C36.C45 |
1932283 | Cc1ccc(-c2ccc(C(=O)N3CCC(C4OCCO4)CC3)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][C][C][Ring1][O][S][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1] | N15CCC7CC1.Cc1ccc8o1.c18ccc6s1.C17OCCO1.C56=O |
1932284 | CCN(C(=O)c1ccc(OC)c(-n2cnnn2)c1)C1CCCCC1C | [C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1][C] | c17ccc4c8c1.C16CCCCC1C.n18cnnn1.N356.C37=O.CC5.O4C |
1932285 | CC1(C)CCc2sc(CNc3ccc4nnc(CO)n4n3)cc2C1 | [C][C][Branch1][C][C][C][C][C][S][C][Branch2][Ring1][Ring2][C][N][C][C][=C][C][=N][N][=C][Branch1][Ring1][C][O][N][Ring1][#Branch1][N][=Ring1][O][=C][C][=Ring2][Ring1][C][C][Ring2][Ring1][#Branch1] | CC1(C)CCc2sc7cc2C1.c16ccc2nnc8n2n1.C57.N56.C8O |
1932286 | COc1ccc(C(=O)NCC2(C3CC3)CC2)cc1-n1cnnn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch1][C][=C][Ring1][S][N][C][=N][N][=N][Ring1][Branch1] | c15ccc7cc19.C18(C2CC2)CC1.n19cnnn1.C47=O.CO5.N46.C68 |
1932287 | COc1ccc(C(=O)N(C)C2CCC(C)(C)CC2)cc1-n1cnnn1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C][N][C][=N][N][=N][Ring1][Branch1] | c14ccc6cc17.C15CCC(C)(C)CC1.n17cnnn1.C36=O.N35C.CO4 |
1932288 | Cc1ccc(-c2ccc(C(=O)OC(C)c3nnc(C)o3)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][S][Ring1][S][O][Ring2][Ring1][Branch1] | Cc1ccc8o1.c18ccc6s1.c17nnc(C)o1.C46=O.C57C.O45 |
1932289 | Cc1cc(C(=O)OC(C)c2nc3ccccc3o2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][O][Ring2][Ring1][Ring1] | c17nc2ccccc2o1.Cc1cc6no1.C46=O.C57C.O45 |
1932290 | CC(OC(=O)c1ccc(=O)n(C)c1)c1nc2ccccc2o1 | [C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c16nc2ccccc2o1.c15ccc(=O)n(C)c1.CC46.C35=O.O34 |
1932291 | Cc1cc(C)n(CC(=O)Nc2cc(C3CCCC3)nn2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][N][Ring1][#Branch2][C][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n6n1.c15cc7nn1C.C17CCCC1.C6C4=O.N45 |
1932293 | CNC(=O)C1CN(Cc2nc(-c3ccccc3)no2)CCO1 | [C][N][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][O][Ring2][Ring1][C] | C16CN5CCO1.c17nc8no1.c18ccccc1.C46=O.CN4.C57 |
1932294 | O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccc2nncn2c1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][=C][C][=N][N][=C][N][Ring1][Branch1][C][=Ring1][=Branch2] | c17ccc2ccccc2c1.c16ccc2nncn2c1.O=C3C5.C47=O.N45.N36 |
1932295 | CCCC(C)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 | [C][C][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][P][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring1][S] | c16ccc7cc1.N15CCN3CC1.CCCC4C.C3(C)=O.N46.C57 |
1932296 | Cc1cccnc1CNc1ccc(NC(=O)OC(C)(C)C)nc1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][=C] | Cc1cccnc18.c17ccc6nc1.C4(C)(C)C.C23=O.C58.N57.N36.O24 |
1932297 | Cc1ncn(CC(O)c2ccc(Br)cc2)c(=O)c1C | [C][C][N][=C][N][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][P][C] | Cc1ncn3c(=O)c1C.c14ccc(Br)cc1.C3C4O |
1932298 | Cc1ncn(CCC(=O)Nc2cc(F)cc(F)c2)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring2][C] | Cc1ncn5c(=O)c1C.c14cc(F)cc(F)c1.C5CC3=O.N34 |
1932299 | Cc1ncn(CCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][C] | Cc1ncn5c(=O)c1C.c14cccc6c1.C5CC3=O.C6(F)(F)F.N34 |
1932300 | Cc1ncn(CC(O)c2ccccc2Br)c(=O)c1C | [C][C][N][=C][N][Branch1][#C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][C][=Ring1][P][C] | Cc1ncn3c(=O)c1C.c14ccccc1Br.C3C4O |
1932301 | Cc1cccc(OCC(O)Cn2cnc(C)c(C)c2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Ring2] | n15cnc(C)c(C)c1=O.Cc1cccc4c1.C3C(O)C5.O34 |
1932302 | Cc1ncn(CC(O)c2ccc(Cl)cc2)c(=O)c1C | [C][C][N][=C][N][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][P][C] | Cc1ncn3c(=O)c1C.c14ccc(Cl)cc1.C3C4O |
1932303 | Cc1ncn(CC(O)c2ccc(OC(F)(F)F)cc2)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][=Branch2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][C] | Cc1ncn4c(=O)c1C.c15ccc3cc1.O3C(F)(F)F.C4C5O |
1932304 | Cc1ncn(CC(O)c2ccc(F)c(F)c2)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C] | Cc1ncn3c(=O)c1C.c14ccc(F)c(F)c1.C3C4O |
1932305 | Cc1cc(C)cc(C(O)Cn2cnc(C)c(C)c2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Ring1] | n13cnc(C)c(C)c1=O.Cc1cc4cc(C)c1.C4(O)C3 |
1932306 | Cc1ncn(CCC(=O)Nc2cccc(Cl)c2)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C] | Cc1ncn5c(=O)c1C.c14cccc(Cl)c1.C5CC3=O.N34 |
1932307 | Cc1ccc(F)cc1NC(=O)CCn1cnc(C)c(C)c1=O | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O] | n14cnc(C)c(C)c1=O.Cc1ccc(F)cc13.C2(=O)CC4.N23 |
1932308 | Cc1ccc(NC(=O)CCn2cnc(C)c(C)c2=O)cc1F | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring2][F] | n15cnc(C)c(C)c1=O.Cc1ccc4cc1F.C3(=O)CC5.N34 |
1932309 | Cc1ccc(C)c(OCC(O)Cn2cnc(C)c(C)c2=O)c1C | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Branch1][C] | Cc1ccc(C)c4c1C.n15cnc(C)c(C)c1=O.C3C(O)C5.O34 |
1932310 | Cc1ncn(CC(O)c2ccccc2F)c(=O)c1C | [C][C][N][=C][N][Branch1][#C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][=Ring1][P][C] | Cc1ncn3c(=O)c1C.c14ccccc1F.C3C4O |
1932311 | Cc1ncn(CCC(=O)Nc2cccc(F)c2)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C] | Cc1ncn5c(=O)c1C.c14cccc(F)c1.C5CC3=O.N34 |
1932313 | Cc1cc(F)ccc1C(O)Cn1cnc(C)c(C)c1=O | [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O] | n12cnc(C)c(C)c1=O.Cc1cc(F)ccc13.C3(O)C2 |
1932314 | Cc1ccc(OCC(O)Cn2cnc(C)c(C)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring2] | n15cnc(C)c(C)c1=O.Cc1ccc4cc1.C3C(O)C5.O34 |
1932315 | Cc1ncn(CC(O)c2cc(Cl)ccc2Cl)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][C][C][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C] | Cc1ncn3c(=O)c1C.c14cc(Cl)ccc1Cl.C3C4O |
1932316 | Cc1ncn(CC(O)c2cccc(F)c2)c(=O)c1C | [C][C][N][=C][N][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][P][C] | Cc1ncn3c(=O)c1C.c14cccc(F)c1.C3C4O |
1932317 | Cc1ccccc1C(O)Cn1cnc(C)c(C)c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O] | n12cnc(C)c(C)c1=O.Cc1ccccc13.C3(O)C2 |
1932318 | Cc1cc(C)cc(OCC(O)Cn2cnc(C)c(C)c2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Branch1] | n15cnc(C)c(C)c1=O.Cc1cc4cc(C)c1.C3C(O)C5.O34 |
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