ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
29228 | Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][P][=C][Ring2][Ring1][#Branch1][C] | c17ccc2c(c1)OCO2.Cc1cccc6c1C.N16CCN5CC1.C57=O |
29229 | Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1F | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1onc6c15.c14ccccc1F.c16ccccc1.C35=O.N34 |
29231 | COc1cccc(OC)c1C(=O)Nc1sc(C)c(C)c1C(N)=O | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O] | c13cccc4c16.c15sc(C)c(C)c17.C26=O.C7(N)=O.CO3.O4C.N25 |
29232 | CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1ccc6cc1.C4(=O)CC7.C17CCCC1.CC3=O.N35.N46 |
29233 | CCOC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][=Ring1][=C][C] | c17sc6nc1C.c18ccc(C)o1.C37=O.C48=O.CC5.O35.N46 |
29236 | CCOC(=O)c1c(NC(=O)C(C)C)sc(C(N)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=C][C] | c17c5sc6c1C.C3(=O)C(C)C.C27=O.C6(N)=O.CC4.O24.N35 |
29237 | CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c16ccc(S5(=O)=O)cc1.c17ccc(F)cc1.CC3=O.N36.N45.C47 |
29238 | COC(=O)c1c(NC(=O)c2cnccn2)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][S][C][Branch1][C][C][=C][Ring1][#C][C] | c17c5sc(C)c1C.c16cnccn1.C37=O.C46=O.CO3.N45 |
29241 | O=C(c1cc(Cl)ccc1Cl)N1CCCCC1 | [O][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][C][C][C][Ring1][=Branch1] | c13cc(Cl)ccc1Cl.N12CCCCC1.O=C23 |
29242 | O=C(NC1CC1)c1cc(-c2cccs2)nc2ccccc12 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] | c15cc6nc2ccccc12.c16cccs1.O=C35.C14CC1.N34 |
29243 | Cc1sc(NC(=O)c2cnccn2)c(C(=O)OC(C)C)c1C | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Ring2][Ring1][Ring2][C] | Cc1sc6c8c1C.c17cnccn1.C47=O.C38=O.C5(C)C.N46.O35 |
29245 | COc1ccc(NC(=O)C2CC2c2ccccc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc6c5c1.c18ccccc1.C17CC18.C37=O.CO4.N36.O5C |
29246 | O=C(Nc1ncccc1Cl)C1CC1c1ccccc1 | [O][=C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ncccc1Cl.c15ccccc1.C14CC15.O=C24.N23 |
29247 | NC(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1Cl | [N][C][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][S][Cl] | c15cc4ccc1Cl.c16ccccc1Cl.NC5=O.C36=O.N34 |
29249 | COc1ccc(C(N)=O)cc1NC(=O)c1ccccc1Cl | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13ccc5cc14.c16ccccc1Cl.C5(N)=O.C26=O.CO3.N24 |
29250 | Brc1ccccc1OCCn1ccnc1 | [Br][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=C][N][=C][Ring1][Branch1] | Brc1ccccc13.n14ccnc1.C2C4.O23 |
29251 | Cc1cc(OCCn2ccnc2)cc(C)c1Cl | [C][C][=C][C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][=C][C][Branch1][C][C][=C][Ring1][#C][Cl] | Cc1cc4cc(C)c1Cl.n15ccnc1.C3C5.O34 |
29252 | O=C(Nc1cccc2ncccc12)c1ccc(F)cc1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cccc2ncccc12.c15ccc(F)cc1.O=C35.N34 |
29255 | COc1ccc2c(c1OC)C(=O)N(c1ccc(C(C)=O)cc1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][Ring2][Ring1][C] | c13ccc2c(c14)C(=O)N6C2.c16ccc5cc1.C5(C)=O.CO3.O4C |
29259 | CN(C)S(=O)(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1N | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][=N][N] | S2(=O)(=O)c1cc(S3(=O)=O)c(Cl)cc1N.CN2C.N3(C)C |
29260 | O=C(c1cccc(F)c1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15cccc(F)c1.N13CCN4CC1.c14ccc(F)cc1.O=C35 |
29263 | CCC(C)(C)C1CCc2c(sc(NC(C)=O)c2C(N)=O)C1 | [C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=C][Branch2][Ring1][Ring1][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][Branch1][C][N][=O][C][Ring1][S] | C16CCc2c(sc4c25)C1.CCC6(C)C.C3(C)=O.C5(N)=O.N34 |
29264 | COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | c17c5sc2c1CCCC2.c16cnccn1.C37=O.C46=O.CO3.N45 |
29265 | CCOC(=O)Nc1sc(C)c(CC)c1C(=O)OCC | [C][C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][Ring1][C][C][C][=Ring1][Branch2][C][=Branch1][C][=O][O][C][C] | c17sc(C)c9c18.C24=O.C38=O.CC5.O25.N47.C9C.O36.C6C |
29266 | CCC(CC)C(=O)Nc1sc(C)c(C)c1C(N)=O | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O] | c13sc(C)c(C)c14.CCC(CC)C2=O.C4(N)=O.N23 |
29267 | O=C(C1CCCC1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.C15CCCC1.O=C35 |
29268 | NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | NS(=O)(=O)c1ccc4cc1.C15CCCCC1.C3(=O)CC5.N34 |
29269 | COc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1ccc4cc1.c13ccc7cc1.C7C5.CO3.N56.O4C |
29273 | CCc1nnc(NC(=O)CCc2ccc(OC)cc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][C] | c17ccc4cc1.c16nnc5s1.C3(=O)CC7.CC6.N35.O4C |
29274 | CCc1c(C)sc(NC(=O)c2ccccc2C)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][Branch1][C][N][=O] | c17c(C)sc4c16.c15ccccc1C.C35=O.C6(N)=O.CC7.N34 |
29275 | Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cccnc2)c1C#N | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C][#N] | Cc1c7sc6c1C#N.c18cccnc1.C37=O.C5(C)C.C48=O.O35.N46 |
29276 | CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C] | S4(=O)(=O)c1ccc(C)cc1C.c15ccc6cc1.CC3=O.N35.N46 |
29277 | CCOC(=O)c1c(NC(C)=O)sc(C(N)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][N][C] | c17c5sc6c1C.C27=O.C3(C)=O.C6(N)=O.CC4.O24.N35 |
29278 | CCc1c(C)sc(NC(=O)c2ccccc2)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][=Branch1][C][=O][O][C] | c18c(C)sc5c17.c16ccccc1.C46=O.C37=O.CC8.N45.O3C |
29279 | CCc1c(C)sc(NC(C)=O)c1C(=O)OC(C)C | [C][C][C][=C][Branch1][C][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | c17c(C)sc5c16.C3(C)=O.C26=O.C4(C)C.CC7.N35.O24 |
29281 | Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCOCC1 | [C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][S][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1c5nc2ccccc2c14.c15ccccc1.N13CCOCC1.C34=O |
29283 | Cc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2][C] | Cc1cccc5c1C.N15CCN4CC1.c16cccnc1.C46=O |
29284 | CCC(CC)C(=O)N1CCN(c2ccccc2)CC1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | CCC(CC)C3=O.N13CCN4CC1.c14ccccc1 |
29285 | O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c15ccc(Cl)cc1.O=C3C5.N34 |
29288 | CCC1CCc2c(sc(NC(=O)c3cnccn3)c2C(N)=O)C1 | [C][C][C][C][C][C][=C][Branch2][Ring1][#Branch2][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C][C][Branch1][C][N][=O][C][Ring2][Ring1][Branch1] | C18CCc2c(sc5c27)C1.c16cnccn1.C46=O.C7(N)=O.CC8.N45 |
29290 | CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC(C)C2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][Ring1][=C] | c16sc2c(c17)CCC(C)C2.CC4=O.C37=O.C5(C)C.N46.O35 |
29291 | CCOC(=O)c1c(NC(=O)C2CCCO2)sc(C)c1CC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][C][Branch1][C][C][=C][Ring1][=C][C][C] | c18c6sc(C)c19.C17CCCO1.C38=O.C47=O.CC5.O35.N46.C9C |
29293 | CCSc1nnc(NC(=O)C2CC2c2ccccc2)s1 | [C][C][S][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | c17nnc5s1.c18ccccc1.C16CC18.C36=O.CC4.S47.N35 |
29294 | CCOC(=O)c1sc(NC(=O)C2CCCCC2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=Ring1][=C][C] | c17sc6nc1C.C18CCCCC1.C37=O.C48=O.CC5.O35.N46 |
29296 | CCC(=O)Nc1sc(C)c(CC)c1C(=O)OC(C)C | [C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][Ring1][C][C][C][=Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | c15sc(C)c7c16.CCC3=O.C26=O.C4(C)C.N35.C7C.O24 |
29297 | CC(Oc1cccc(Cl)c1)C(=O)NCc1ccco1 | [C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14cccc(Cl)c1.CC3C2=O.c16ccco1.O34.N25.C56 |
29298 | CC(=O)c1sc(NC(=O)c2ccoc2C)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=N][C][=Ring1][=C][C] | c15sc4nc1C.c16ccoc1C.CC5=O.C36=O.N34 |
29299 | CCc1c(C)sc(NC(=O)C2CCCC2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][C][Branch1][C][N][=O] | c17c(C)sc4c16.C15CCCC1.C35=O.C6(N)=O.CC7.N34 |
29300 | CCc1c(C)sc(NC(=O)c2ccoc2C)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][#C][C][Branch1][C][N][=O] | c17c(C)sc4c16.c15ccoc1C.C35=O.C6(N)=O.CC7.N34 |
29301 | CCc1c(C)sc(NC(=O)C2CC2)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][C][=Branch1][C][=O][O][C] | c18c(C)sc5c17.C46=O.C16CC1.C37=O.CC8.N45.O3C |
29302 | Cc1occc1C(=O)Nc1cc(=O)n(C)c(=O)n1C | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | c13cc(=O)n(C)c(=O)n1C.Cc1occc14.C24=O.N23 |
29304 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncccc1Cl | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1onc6c15.c16ccccc1Cl.c14ncccc1Cl.C35=O.N34 |
29305 | Cc1cc(Cl)ccc1OC(C)C(=O)NCc1cccnc1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1cc(Cl)ccc14.c16cccnc1.C3(C)C2=O.O34.N25.C56 |
29306 | COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCC(C)C2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][C][=C][Ring1][=C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c16c5sc2c1CCC(C)C2.c17ccoc1C.C36=O.C47=O.CO3.N45 |
29308 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnccn2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c18ccc9c6c1.c17cnccn1.C38=O.C49=O.C57=O.CO3.O4C.N56 |
29309 | CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C] | c17sc6nc1C.c18cccc(Cl)c1.C37=O.C48=O.CC5.O35.N46 |
29310 | O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCCO1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][C][C][C][O][Ring1][Branch1] | c16ccc(F)cc1.c14nc6cs1.C15CCCO1.O=C35.N34 |
29311 | COC(=O)c1sc(NC(=O)C2CC2)c(C(N)=O)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][=C][C] | c16sc5c8c1C.C36=O.C47=O.C17CC1.C8(N)=O.CO3.N45 |
29314 | O=C(c1cc(Cl)ccc1Cl)N1CCOCC1 | [O][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c13cc(Cl)ccc1Cl.N12CCOCC1.O=C23 |
29315 | COC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)c(C(N)=O)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring1][C] | c16sc5c8c1C.c17ccc(C)c(C)c1.C36=O.C47=O.C8(N)=O.CO3.N45 |
29317 | O=C(Nc1ccc(Br)cc1)c1cnccn1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccc(Br)cc1.c14cnccn1.O=C24.N23 |
29318 | CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][C][C][Ring1][=N] | c16sc2c(c17)CCCC2.CC4=O.C37=O.C5(C)C.N46.O35 |
29319 | CCOc1cc(C(=O)N2CCCC2)cc(OCC)c1OCC | [C][C][O][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][S][O][C][C] | c17cc%10cc8c19.N13CCCC1.C3%10=O.CC4.O47.O58.C5C.O69.C6C |
29320 | Cc1onc(-c2ccccc2)c1C(=O)NCC(C)C | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | Cc1onc6c15.c16ccccc1.C4C(C)C.C35=O.N34 |
29321 | Cc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][N][=C][Ring2][Ring1][Branch1] | Cc1ccc5nc1.c16c7noc1C.c17ccccc1.C46=O.N45 |
29322 | COc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | c14ccccc16.N13CCN5CC1.c15ccc(F)cc1.C36=O.CO4 |
29323 | O=C(Nc1ncccc1Cl)c1cccc(Cl)c1 | [O][=C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c13ncccc1Cl.c14cccc(Cl)c1.O=C24.N23 |
29325 | COC(=O)c1ccc(NC(=O)c2ccoc2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][=C][Ring1][#C] | c16ccc5cc1.c17ccoc1C.C36=O.C47=O.CO3.N45 |
29326 | COC(=O)c1ccccc1NC(=O)c1cnccn1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] | c16ccccc14.c15cnccn1.C26=O.C35=O.CO2.N34 |
29327 | COc1ccc(Cl)cc1C(=O)Nc1ccncc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccc(Cl)cc15.c14ccncc1.C25=O.CO3.N24 |
29328 | CCOC(=O)c1sc(NC(=O)c2cccnc2)c(C#N)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][=Ring1][S][C] | c17sc6c(C#N)c1C.c18cccnc1.C37=O.C48=O.CC5.O35.N46 |
29329 | CCC(CC)C(=O)Nc1sc(C)c(C)c1C(=O)OC | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C] | c14sc(C)c(C)c15.CCC(CC)C3=O.C25=O.N34.O2C |
29331 | Cc1ccccc1-c1cc(C(=O)N2CCOCC2)c2ccccc2n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c15cc4c2ccccc2n1.Cc1ccccc15.N13CCOCC1.C34=O |
29335 | O=C(Nc1nncs1)c1cc(-c2cccs2)nc2ccccc12 | [O][=C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] | c15cc6nc2ccccc12.c14nncs1.c16cccs1.O=C35.N34 |
29336 | CCOC(=O)c1c(NC(=O)C2CC2)sc(C)c1CC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Branch1][C][C][=C][Ring1][N][C][C] | c18c6sc(C)c19.C38=O.C47=O.C17CC1.CC5.O35.N46.C9C |
29337 | Cc1cccc(N2CCN(C(=O)c3ccccc3)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2][C] | Cc1cccc5c1C.N15CCN4CC1.c16ccccc1.C46=O |
29338 | CCC(C)(C)C1CCc2c(sc(NC(=O)OC)c2C(N)=O)C1 | [C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=C][Branch2][Ring1][Ring2][S][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Branch1][C][N][=O][C][Ring1][P] | C17CCc2c(sc5c26)C1.CCC7(C)C.C34=O.C6(N)=O.N45.O3C |
29339 | O=S(=O)(CCc1ccccc1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)CC3.c13ccccc1.N12CCOCC1 |
29340 | c1ccc(OCCn2ncc3c(N4CCCC4)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][N][N][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | n18ncc2c7ncnc21.c1ccc6cc1.N17CCCC1.C5C8.O56 |
29342 | COc1ccccc1N1Cc2ccc(OC)c(OC)c2C1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring1][=N][=O] | N16Cc2ccc4c5c2C1=O.c13ccccc16.CO3.O4C.O5C |
29345 | CCN(CC)c1ccc(C(=O)NCC(=O)OC)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][=C] | c17ccc8cc1.C6C2=O.N457.C38=O.CC4.C5C.N36.O2C |
29346 | COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][O][C] | c14ccc6cc15.c16nnc7o1.c17ccccc1.CO4.O5C |
29347 | COc1ccccc1CC(=O)Nc1ccc(F)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccccc15.c14ccc(F)cc1.C5C2=O.CO3.N24 |
29349 | CCOc1ccc(C(=O)Nc2ccccc2F)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S][O][C][C] | c16ccc9cc17.c18ccccc1F.C39=O.CC4.O46.N38.O57.C5C |
29350 | CC(=O)Nc1ccc(C(=O)N2CC(C)CC(C)C2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][S] | N14CC(C)CC(C)C1.c15ccc6cc1.CC3=O.C46=O.N35 |
29351 | CC(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring1][P] | c16ccc(Br)c(C)c1.c15ccc7cc1.CC3=O.C47=O.N35.N46 |
29352 | Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc(S3(=O)=O)cc1.c14ccc(N)cc1C.N34 |
29353 | CCN(Cc1ccccc1)C(=O)c1ccc(NC(C)=O)cc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c17ccc6cc1.c18ccccc1.N245.C27=O.C3(C)=O.CC4.C58.N36 |
29354 | CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C][C] | c16ccc9cc17.c1%10ccccc1.C39=O.N38C.CC4.O46.C8%10.O57.C5C |
29357 | CC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][P] | c16ccc(F)c(Cl)c1.c15ccc7cc1.CC3=O.C47=O.N35.N46 |
29358 | CSc1nc(N)nc(SCc2ccccc2Cl)c1C#N | [C][S][C][=N][C][Branch1][C][N][=N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][S][C][#N] | c15nc(N)nc6c1C#N.c14ccccc1Cl.CS5.S36.C34 |
29359 | CC(=O)Nc1ccc(C(=O)NCc2ccc(C)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc7cc1.c18ccc(C)cc1.CC3=O.C47=O.N36.N45.C58 |
29360 | O=C(Nc1cccc(O)c1)c1cccc(NC(=O)c2cccs2)c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c15cccc(O)c1.c18cccc6c1.c17cccs1.O=C38.C47=O.N35.N46 |
29361 | CCOC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] | c19ccc6c7c1.C18CCN4CC1.C4(=O)C9.C38=O.CC5.O35.O6C.O7C |
29363 | CCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C][C] | c16ccc9cc17.c18ccc%10cc1.C39=O.C%10(C)=O.CC4.O46.N38.O57.C5C |
29364 | O=C(Nc1ccncc1)c1cc(Cl)ccc1Cl | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Cl)ccc1Cl.c13ccncc1.O=C24.N23 |
29365 | CC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P] | c16ccc(F)cc1F.c15ccc7cc1.CC3=O.C47=O.N35.N46 |
29366 | CCOC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][C][C][Ring2][Ring1][C] | C18CCN4CC1.c19ccccc17.C38=O.C49=O.C5(C)=O.CC6.O36.N57 |
29367 | COc1cc(NC(=O)c2cccc(F)c2)c(OC)cc1NC(C)=O | [C][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][N][C][Branch1][C][C][=O] | c15cc7c6cc18.c19cccc(F)c1.C39=O.C4(C)=O.CO5.N37.O6C.N48 |
29368 | c1ccc(-c2cnn3c(-c4ccccc4)cnc3n2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring1][O][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15cnn2c6cnc2n1.c1ccc5cc1.c16ccccc1 |
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