ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
32346 | O=C(Nn1nnc2ccccc2c1=O)c1ccccc1 | [O][=C][Branch1][P][N][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3Nn1nnc2ccccc2c1=O.c13ccccc1 |
32348 | Cc1cc(C)c(NC(=O)c2sccc2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][C][Branch1][C][C][=C][Ring1][P] | Cc1cc(C)c4c(C)c1.c15sccc1C.C35=O.N34 |
32349 | O=C(COC(=O)c1ccc(F)cc1)c1ccccc1 | [O][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(F)cc1.c14ccccc1.O=C4C3.C25=O.O23 |
32350 | O=C(Nc1nncs1)c1ccc(S(=O)(=O)c2ccccc2)cc1 | [O][=C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S(=O)(=O)c2ccccc2)cc1.c14nncs1.O=C35.N34 |
32352 | COC(=O)C1C2CCC(C2)C1C(=O)OCC(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16C2CCC(C2)C17.c18ccccc1.C5C8=O.C36=O.C47=O.CO3.O45 |
32353 | CCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl] | c16cc(S5(=O)=O)ccc1Cl.N15CCCCC1.C36=O.CC4.O34 |
32354 | N#Cc1ccc(Sc2nc3ccccc3o2)cc1C#N | [N][#C][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][S][C][#N] | N#Cc1ccc5cc1C#N.c14nc2ccccc2o1.S45 |
32355 | O=C(NCC1CCCO1)c1cccc(NC(=O)c2ccccc2)c1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C] | c17cccc6c1.c18ccccc1.C19CCCO1.O=C37.C48=O.N35.C59.N46 |
32356 | O=C(Cc1ccccc1)Nc1ccc(C(=O)NCC2CCCO2)cc1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C] | c16ccc7cc1.c19ccccc1.C18CCCO1.O=C3C9.C47=O.N36.N45.C58 |
32357 | CC1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 | [C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch1] | CC1CCN4CC1.c18cccc6c1.c17cccs1.C48=O.C57=O.N56 |
32359 | N#Cc1cc(Cl)c(NCC2CCCO2)cc1C#N | [N][#C][C][=C][C][Branch1][C][Cl][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][C][#N] | N#Cc1cc(Cl)c4cc1C#N.C15CCCO1.N34.C35 |
32360 | O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | c15cccc6c1.c18cccs1.c17ccco1.O=C37.C48=O.O35.N46 |
32362 | CCC(=O)Nc1ccc(-c2cnc3ccccc3n2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | c16cnc2ccccc2n1.c15ccc6cc1.CCC4=O.N45 |
32363 | CCC(OC(=O)c1ccccc1NC(C)=O)C(=O)c1ccccc1 | [C][C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc15.CCC4C7=O.c17ccccc1.C26=O.C3(C)=O.O24.N35 |
32365 | CCc1cccc(CC)c1NC(=O)c1ccc(N)cc1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | c15cccc6c13.c14ccc(N)cc1.C24=O.CC5.C6C.N23 |
32369 | CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c18ccccc1Cl.C5C8=O.CC4=O.C37=O.N46.O35 |
32371 | CC(=O)Nc1ccc(C(=O)OC(C)C(=O)c2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c18ccccc1.C5(C)C8=O.CC4=O.C37=O.N46.O35 |
32372 | CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(F)cc2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c16cccc7c1.c18ccc(F)cc1.CCC4=O.C5C8=O.C37=O.N46.O35 |
32373 | CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c18ccc(F)cc1.CCC4=O.C5C8=O.C37=O.N46.O35 |
32374 | CNc1ccccc1C(=O)OCC(=O)c1ccc(F)cc1 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(F)cc1.C3C6=O.C25=O.CN4.O23 |
32375 | CCc1ccc(C(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | c19ccc7cc1.c18ccc6cc1.C7(=O)C5.C38=O.C4(C)=O.CC9.O35.N46 |
32377 | CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)C(C)(C)C)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S] | c15cccc6c1.C4C(=O)C(C)(C)C.CC(C)C3=O.C26=O.N35.O24 |
32378 | COc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.c19ccc(Cl)cc1.C7C3=O.C48=O.CO6.N47.O35.C59 |
32380 | CC(=O)Nc1cc(C(=O)OCc2ccc(F)cc2)ccc1C | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][C] | c16cc7ccc1C.c18ccc(F)cc1.CC4=O.C37=O.N46.O35.C58 |
32381 | COC(=O)c1cccc(COC(=O)c2ccc(NC(C)=O)cc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c18cccc%10c1.c19ccc7cc1.C38=O.C49=O.C5(C)=O.CO3.C6%10.O46.N57 |
32382 | CCOc1ccc(N2CC(C(=O)Nc3cc(C)on3)CC2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c16ccc9cc1.N19CC8CC1=O.c17cc(C)on1.C48=O.CC5.O56.N47 |
32383 | COc1ccc(N2CC(C(=O)Nc3cc(C)on3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.N18CC7CC1=O.c16cc(C)on1.C47=O.CO5.N46 |
32384 | CC1(C)COC(c2coc3ccccc3c2=O)OC1 | [C][C][Branch1][C][C][C][O][C][Branch1][S][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][C][Ring2][Ring1][C] | c14coc2ccccc2c1=O.CC1(C)COC4OC1 |
32386 | COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14ccc8c7c1.c19ccc5c6c1.C39=O.CO4.N38.O5C.O6C.O7C |
32389 | COc1cc(C(=O)Nc2c(C)cccc2C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c17c(C)cccc1C.C38=O.CO4.N37.O5C.O6C |
32390 | O=S(=O)(NCc1ccncc1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(Cl)cc1.c14ccncc1.N23.C24 |
32393 | CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][P] | c16c(C)cccc1C.c15ccc7cc1.C37=O.CC4.O45.N36 |
32395 | CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1 | [C][C][O][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] | c15ccc7cc1.c18ccc(C)cc1.C37=O.CC4.O45.N36.C68 |
32396 | Cn1ncc(Br)c1C(=O)N1CCc2ccccc21 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.Cn1ncc(Br)c14.C34=O |
32397 | Cn1cc(Br)c(C(=O)N2CCCCCC2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=N][Ring1][#C] | Cn1cc(Br)c4n1.N13CCCCCC1.C34=O |
32398 | COc1ccc(OC)c(NC(=O)c2c(Br)cnn2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc5c6c1.c17c(Br)cnn1C.C37=O.CO4.O5C.N36 |
32399 | O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCCO1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][C][C][C][C][O][Ring1][Branch1] | c13cc5ccc1Cl.C14CCCO1.C5(F)(F)F.O=C24.N23 |
32400 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccnn2C)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][C][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c18ccc9c6c1.c17ccnn1C.C38=O.C49=O.C57=O.CO3.O4C.N56 |
32402 | Cc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][S] | c15ccc(Cl)cc1.Cc1nnc4s1.C3(=O)C5.N34 |
32403 | CC(=O)Nc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][C] | c15cccc6c1.c18ccc7cc1.CC3=O.C48=O.N7(C)C.N35.N46 |
32404 | Cn1ncc(Br)c1C(=O)NC1CCCCCC1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1] | Cn1ncc(Br)c14.C13CCCCCC1.C24=O.N23 |
32405 | Cc1cc(Br)ccc1NC(=O)c1ccnn1C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C] | Cc1cc(Br)ccc13.c14ccnn1C.C24=O.N23 |
32407 | O=C(NCc1ccncc1)c1cc(Cl)ccc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Cl)ccc1Cl.c15ccncc1.O=C24.N23.C35 |
32408 | Cc1ccc(C)c(NC(=O)c2c(Cl)cnn2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][=C][Ring1][P] | Cc1ccc(C)c4c1.c15c(Cl)cnn1C.C35=O.N34 |
32409 | Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][O][Ring2][Ring1][Branch1] | c16sc(C)c(C)c18.Cc1ccc7o1.C47=O.C38=O.C5(C)C.N46.O35 |
32410 | CCc1c(C)sc(NC(=O)c2cccnc2)c1C(=O)OC(C)C | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | c19c(C)sc6c18.c17cccnc1.C47=O.C38=O.C5(C)C.CC9.N46.O35 |
32411 | COc1ccc(S(=O)(=O)Nc2ncccc2Cl)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P] | c13ccc(S4(=O)=O)cc1.c15ncccc1Cl.CO3.N45 |
32413 | Cc1cc(C)cc(NC(=O)c2nn(C)cc2Br)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][=C][Ring1][P] | Cc1cc4cc(C)c1.c15nn(C)cc1Br.C35=O.N34 |
32414 | Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][P] | Cc1ccc4nc1.c15ccc(Cl)cc1.C3(=O)C5.N34 |
32415 | Cn1ncc(Cl)c1C(=O)N1CCc2ccccc21 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.Cn1ncc(Cl)c14.C34=O |
32416 | COc1cc(NC(=O)c2ccnn2C)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Cl] | c14cc6c5cc1Cl.c17ccnn1C.C37=O.CO4.N36.O5C |
32417 | COc1cccc(-n2cnc3sc(C)c(C)c3c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][C] | n15cnc2sc(C)c(C)c2c1=O.c14cccc5c1.CO4 |
32418 | Cn1ncc(Br)c1C(=O)NC1CCCC1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | Cn1ncc(Br)c14.C13CCCC1.C24=O.N23 |
32419 | CCCC(=O)Nc1sc(C)c(CC)c1C(N)=O | [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][N][=O] | c13sc(C)c5c14.CCCC2=O.C4(N)=O.N23.C5C |
32420 | Cn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cn1ncc(Cl)c14.c13cccc(Cl)c1.C24=O.N23 |
32421 | Cn1ncc(Cl)c1C(=O)Nc1ccc(F)c(F)c1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c13ccc(F)c(F)c1.Cn1ncc(Cl)c14.C24=O.N23 |
32422 | CC1CCCCN1C(=O)c1nn(C)cc1Br | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br] | CC1CCCCN12.c13nn(C)cc1Br.C23=O |
32423 | Cn1cc(Cl)c(C(=O)Nc2ccc(Br)cc2F)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][=N][Ring1][P] | c14ccc(Br)cc1F.Cn1cc(Cl)c5n1.C35=O.N34 |
32424 | Cn1nccc1C(=O)Nc1cc(Cl)cc(Cl)c1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13cc(Cl)cc(Cl)c1.Cn1nccc14.C24=O.N23 |
32425 | Cc1cccc(C)c1NC(=O)c1c(Cl)cnn1C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C] | Cc1cccc(C)c13.c14c(Cl)cnn1C.C24=O.N23 |
32426 | Cn1ncc(Cl)c1C(=O)Nc1ccccc1F | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cn1ncc(Cl)c14.c13ccccc1F.C24=O.N23 |
32427 | COc1cccc(OC)c1C(=O)Nc1nc(C)c(C(C)=O)s1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2] | c13cccc4c17.c15nc(C)c6s1.C27=O.C6(C)=O.CO3.O4C.N25 |
32428 | Cc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.c17csc5n1.c16ccc(C)o1.C46=O.N45 |
32429 | Cn1cc(Br)c(C(=O)Nc2nccs2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][Ring1][=C] | Cn1cc(Br)c5n1.c14nccs1.C35=O.N34 |
32430 | Cc1csc(NC(=O)Cc2ccc(Cl)cc2)n1 | [C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S] | c15ccc(Cl)cc1.Cc1csc4n1.C3(=O)C5.N34 |
32431 | Cn1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2Cl)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring1][P] | c14ccc(Cl)cc1Cl.Cn1cc(Cl)c5n1.C35=O.N34 |
32432 | Cn1ncc(Cl)c1C(=O)Nc1ccc(F)c(Cl)c1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13ccc(F)c(Cl)c1.Cn1ncc(Cl)c14.C24=O.N23 |
32434 | O=C(CCC1CCCC1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.O=C3CC5.C15CCCC1.N34 |
32435 | Cn1cc(Br)c(C(=O)NC2CCCCCC2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][=N][Ring1][S] | Cn1cc(Br)c5n1.C14CCCCCC1.C35=O.N34 |
32438 | Cc1ccc(NC(=O)C2CCCO2)c(Br)c1 | [C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][#C] | Cc1ccc4c(Br)c1.C15CCCO1.C35=O.N34 |
32441 | Cc1nc(NC(=O)c2ccccc2F)sc1C | [C][C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][C][=Ring1][#C][C] | Cc1nc4sc1C.c15ccccc1F.C35=O.N34 |
32444 | CCc1cccc(CC)c1NC(=O)c1cccnc1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cccc6c13.c14cccnc1.C24=O.CC5.C6C.N23 |
32445 | Cc1nc(NC(=O)C2CC3CCC2C3)sc1C | [C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][S][C][=Ring1][#C][C] | Cc1nc5sc1C.C16CC2CCC1C2.C46=O.N45 |
32446 | Cn1c(NC(=O)c2cccs2)cc(=O)n(C)c1=O | [C][N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][S][=O] | Cn1c4cc(=O)n(C)c1=O.c15cccs1.C35=O.N34 |
32447 | CCOC(=O)c1sc(NC(=O)C2CC2)c(C(N)=O)c1C | [C][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] | c17sc6c9c1C.C37=O.C48=O.C18CC1.C9(N)=O.CC5.O35.N46 |
32448 | Cn1cc(Cl)c(C(=O)Nc2ccccc2Br)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring1][S] | Cn1cc(Cl)c5n1.c14ccccc1Br.C35=O.N34 |
32449 | CCC1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 | [C][C][C][C][C][C][=C][Branch2][Ring1][#Branch1][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Branch1][C][N][=O][C][Ring2][Ring1][C] | C18CCc2c(sc5c27)C1.C46=O.C16CC1.C7(N)=O.CC8.N45 |
32450 | Cc1nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc1C | [C][C][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C][S][C][=Ring2][Ring1][Branch1][C] | Cc1nc5sc1C.c16c7noc1C.c17ccccc1Cl.C46=O.N45 |
32451 | CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C)c1CC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][S][C][Branch1][C][C][=C][Ring1][#C][C][C] | c18c6sc(C)c19.c17ccc(C)o1.C38=O.C47=O.CC5.O35.N46.C9C |
32453 | Cc1c(C(=O)OC(C)C)sc(NC(=O)C2CCCC2)c1C(N)=O | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C][Branch1][C][N][=O] | Cc1c7sc6c19.C18CCCC1.C37=O.C5(C)C.C48=O.C9(N)=O.O35.N46 |
32454 | CCc1c(C)sc(NC(=O)c2ccoc2C)c1C(=O)OC(C)C | [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][=O][O][C][Branch1][C][C][C] | c19c(C)sc6c18.c17ccoc1C.C47=O.C38=O.C5(C)C.CC9.N46.O35 |
32455 | COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][C][C][Ring1][#Branch1] | c17c5sc2c1CCCCC2.c16ccco1.C37=O.C46=O.CO3.N45 |
32458 | CCCC1CCc2c(sc(NC(=O)C3CCCO3)c2C(N)=O)C1 | [C][C][C][C][C][C][C][=C][Branch2][Ring1][=Branch2][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=N][C][Branch1][C][N][=O][C][Ring2][Ring1][Ring2] | C18CCc2c(sc5c27)C1.C16CCCO1.CCC8.C46=O.C7(N)=O.N45 |
32460 | CC1CCCC(C)N1C(=O)c1nn(C)cc1Br | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br] | CC1CCCC(C)N12.c13nn(C)cc1Br.C23=O |
32461 | CCC1CCc2c(sc(NC(C)=O)c2C(=O)OC)C1 | [C][C][C][C][C][C][=C][Branch2][Ring1][Ring2][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][Ring1][P] | C17CCc2c(sc5c26)C1.C4(C)=O.C36=O.CC7.N45.O3C |
32464 | CCOC(=O)c1sc(NC(=O)c2ccoc2C)c(C(N)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][P][C] | c17sc6c9c1C.c18ccoc1C.C37=O.C48=O.C9(N)=O.CC5.O35.N46 |
32465 | CCOC(=O)c1c(NC(=O)CC(C)C)sc(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][#C][C] | c17c5sc6c1C.C3(=O)CC(C)C.C27=O.C6(C)=O.CC4.O24.N35 |
32466 | Cc1ccc(NC(=O)c2ccc(C)o2)c(NC(=O)c2ccc(C)o2)c1 | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | Cc1ccc5c6c1.c17ccc(C)o1.c18ccc(C)o1.C37=O.C48=O.N35.N46 |
32468 | Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccccc2)c1C(N)=O | [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][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O] | Cc1c7sc6c19.c18ccccc1.C37=O.C5(C)C.C48=O.C9(N)=O.O35.N46 |
32469 | CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 | [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][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15cccc(Cl)c1.CC4C3=O.O45.N36 |
32470 | Cc1c(NC(=O)CC(C)C)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C] | Cc1c4c(=O)n5n1C.C3(=O)CC(C)C.c15ccccc1.N34 |
32472 | Cc1c(NC(=O)C2CCCO2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] | Cc1c4c(=O)n6n1C.c16ccccc1.C15CCCO1.C35=O.N34 |
32473 | COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)OCO2 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c14cccc5c17.C37=O.CO4.O5C.N36 |
32474 | O=C(NCc1ccco1)c1ccc(C(=O)NCc2ccco2)nc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#C] | c18ccc7nc1.c19ccco1.c1%10ccco1.O=C38.C47=O.N35.C59.N46.C6%10 |
32475 | Cc1csc(NC(=O)COc2ccc(Cl)cc2)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P] | c15ccc(Cl)cc1.Cc1csc6n1.C3(=O)C4.N36.O45 |
32476 | O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCO1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][S][Ring1][=N][C][C][C][C][O][Ring1][Branch1] | c16ccc(Cl)cc1Cl.c14nc6cs1.C15CCCO1.O=C35.N34 |
32479 | CCc1c(C)sc(NC(=O)Cc2ccc(F)cc2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P][C][Branch1][C][N][=O] | c16c(C)sc4c15.c17ccc(F)cc1.C3(=O)C7.C5(N)=O.CC6.N34 |
32481 | CCc1c(C)sc(NC(=O)CCc2ccc(OC)cc2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1][C][Branch1][C][N][=O] | c17c(C)sc5c16.c18ccc4cc1.C3(=O)CC8.C6(N)=O.CC7.N35.O4C |
32483 | NC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCCC2 | [N][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][S][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1] | c15c4sc2c1CCCC2.C3(=O)CC6.C16CCCC1.NC5=O.N34 |
32485 | COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N(C)C)c1C | [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][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring2][Ring1][C][C] | c19c6sc8c1C.c17ccco1.C39=O.C47=O.C58=O.N5(C)C.CO3.N46 |
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