ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
36321 | COc1cc2sc(NC(C)=O)nc2cc1Cl | [C][O][C][=C][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][=Ring1][=Branch2][C][=C][Ring1][=N][Cl] | c14cc2sc5nc2cc1Cl.C3(C)=O.CO4.N35 |
36322 | COc1c(C)cc(Br)cc1C(=O)NCc1ccco1 | [C][O][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c13c5cc(Br)cc1C.c16ccco1.C25=O.CO3.N24.C46 |
36323 | CC(C)(C)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][#C] | c15nc2ccc6cc2s1.CC(C)(C)C4=O.N16CCOCC1.N45 |
36324 | CCn1nnc(NC(=O)c2cc(Br)cc(C)c2OC)n1 | [C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][=N][Ring2][Ring1][C] | c16cc(Br)cc(C)c14.n17nnc5n1.C36=O.CC7.N35.O4C |
36325 | COc1ccc2oc(-c3cccc(NC(C)=O)c3)nc2c1 | [C][O][C][=C][C][=C][O][C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2oc7nc2c1.c17cccc6c1.C4(C)=O.CO5.N46 |
36326 | CCn1nnc(NC(=O)COc2ccc(Br)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][P] | c15ccc(Br)cc1.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36328 | Cc1nnc2sc(-c3ccc(NC(=O)c4ccccc4)cc3)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][=N][N][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2] | Cc1nnc2sc8nn12.c18ccc6cc1.c17ccccc1.C57=O.N56 |
36330 | CC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C] | c16nn2c(C)nnc2s1.c15ccc6cc1.CC4=O.N45 |
36332 | Cc1nnc2sc(-c3ccc(NC(=O)C(C)(C)C)cc3)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][=N][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | Cc1nnc2sc6nn12.c16ccc5cc1.C4(=O)C(C)(C)C.N45 |
36333 | Cc1nnc2sc(-c3ccc(NC(=O)C(C)C)cc3)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][=N][N][Ring2][Ring1][Ring2][Ring1][P] | Cc1nnc2sc6nn12.c16ccc5cc1.C4(=O)C(C)C.N45 |
36334 | COC(=O)Cn1c2ccccc2c2nc(C)sc21 | [C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][Ring1][=N] | n14c2ccccc2c2nc(C)sc21.C3(=O)C4.CO3 |
36335 | COc1ccc(NC(=O)c2ccc(CO)o2)cc1N | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=C][Ring1][S][N] | c14ccc5cc1N.c16ccc7o1.C36=O.CO4.N35.C7O |
36336 | CCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c15nc2ccc6cc2s1.CCC3=O.C4(C)=O.N35.N46 |
36337 | CC(=O)Nc1ccc2nc(NC(=O)C(C)(C)C)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][C][Ring1][N][=C][Ring1][S] | c16ccc2nc5sc2c1.C4(=O)C(C)(C)C.CC3=O.N36.N45 |
36338 | CC(=O)Nc1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6sc2c1.c18ccccc1.C5(=O)C8.CC4=O.N47.N56 |
36339 | CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3C)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6sc2c1.c18ccccc1C.CC4=O.C58=O.N47.N56 |
36340 | CCc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16nc2ccc7cc2s1.c19ccc8cc1.C48=O.C5(C)=O.CC9.N46.N57 |
36341 | Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc2c(c1)CCCC2 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1] | c16ccc2c(c1)CCCC2.Cc1cc(=O)oc(C)c15.C4C6=O.C35=O.O34 |
36342 | O=C(CNC(=O)c1cccs1)OCc1c(F)cccc1Cl | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c17c(F)cccc1Cl.c16cccs1.O=C2C5.C36=O.N35.O24.C47 |
36343 | O=C(CNC(=O)c1ccco1)OCc1c(F)cccc1Cl | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c17c(F)cccc1Cl.c16ccco1.O=C2C5.C36=O.N35.O24.C47 |
36344 | COc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.C18CCCCC1.C3(=O)C5.S6(C)(=O)=O.N568.CO4.N37 |
36345 | CN(Cc1ccccc1)C(=O)CN(C1CCCCC1)S(C)(=O)=O | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc1.C16CCCCC1.C2(=O)C4.S5(C)(=O)=O.CN23.N456.C37 |
36346 | CC1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][Ring2] | CC1CCN3CC1.C16CCCCC1.C3(=O)C4.S5(C)(=O)=O.N456 |
36347 | CS(=O)(=O)N(CC(=O)N1CCCC1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | C15CCCCC1.N12CCCC1.CS4(=O)=O.C3C2=O.N345 |
36348 | CS(=O)(=O)N(CC(=O)N1CCOCC1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | N12CCOCC1.C15CCCCC1.CS4(=O)=O.C3C2=O.N345 |
36349 | CS(=O)(=O)N(CC(=O)N1CCCCCC1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1] | N12CCCCCC1.C15CCCCC1.CS4(=O)=O.C3C2=O.N345 |
36354 | Cc1cc(C)c(S(=O)(=O)N(CC(N)=O)C2CCCCC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c(S4(=O)=O)c(C)c1.C15CCCCC1.C3C(N)=O.N345 |
36355 | COc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][=C][Ring2][Ring1][=Branch1] | C4(=O)CN1C(=O)COc2ccc(Cl)cc21.c15cccc6c1.CO5.N46 |
36356 | Cc1ccccc1NC(=O)CSc1ccccc1N | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | Cc1ccccc14.c15ccccc1N.C2(=O)C3.N24.S35 |
36357 | Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N] | C3(=O)CN1C(=O)COc2ccc(Cl)cc21.Cc1ccccc14.N34 |
36358 | COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c15ccc8c6c1.N14CCN7CC1.c17ccccc1.C48=O.CO5.O6C |
36359 | CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc(F)cc1F.C16CCCCC1.CS4(=O)=O.C3C2=O.N346.N25 |
36360 | Cc1ccccc1NC(=O)CN1C(=O)CSc2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | C3(=O)CN1C(=O)CSc2ccccc21.Cc1ccccc14.N34 |
36361 | CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][C][C][C][C][Ring1][=Branch1] | c15c(F)cccc1F.C16CCCCC1.CS4(=O)=O.C3C2=O.N346.N25 |
36362 | CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCOCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c16ccccc1.N12CCOCC1.CS5(=O)=O.C4C2=O.N345.C3C6 |
36363 | CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | N12CCCCCC1.c16ccccc1.CS5(=O)=O.C4C2=O.N345.C3C6 |
36365 | CCCn1nnc(NC(=O)COc2cccc(C)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][Ring1][P] | c15cccc(C)c1.n17nnc6n1.C3(=O)C4.CCC7.N36.O45 |
36368 | CCCn1nnc(NC(=O)COc2cccc3ccccc23)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c16cccc2ccccc12.n18nnc7n1.C4(=O)C5.CCC8.N47.O56 |
36369 | CCCn1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][S] | c15ccc(Cl)c(Cl)c1.n16nnc4n1.CCC6.C35=O.N34 |
36370 | CCCn1nnc(NC(=O)COc2ccccc2)n1 | [C][C][C][N][N][=N][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][S] | n17nnc6n1.c15ccccc1.C3(=O)C4.CCC7.N36.O45 |
36371 | COc1ccc2nc(N(Cc3ccccc3)C(C)=O)sc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][S][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2nc7sc2c1.c18ccccc1.N467.C4(C)=O.CO5.C68 |
36372 | CC(C)(C)C(=O)COC(=O)c1cccc(NC(=O)c2ccco2)c1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | CC(C)(C)C(=O)C5.c18cccc6c1.c17ccco1.C38=O.C47=O.O35.N46 |
36373 | CC(C)(C)C(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | CC(C)(C)C(=O)C5.c18ccc6cc1.c17ccco1.C38=O.C47=O.O35.N46 |
36374 | CCN(CC)C(=O)CSc1ccc(Cl)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16ccc(Cl)cc1.C2(=O)C5.N234.CC3.C4C.S56 |
36375 | Cc1ccc(NC(=O)CCC(=O)c2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc4cc1.C3(=O)CCC5=O.c15cccs1.N34 |
36376 | Cc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12 | [C][C][=N][C][=N][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1ncnc2oc4c5c12.c14ccco1.c15ccco1 |
36377 | CCOc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | c16ccc9cc1.c19nc7sc1C.c18cccnc1.C48=O.CC5.O56.N47 |
36378 | CCCn1nnnc1NC(=O)c1ccc(Cl)c(Cl)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.n15nnnc13.CCC5.C24=O.N23 |
36379 | CCCn1nnnc1NC(=O)c1ccc(C)cc1Cl | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl] | c14ccc(C)cc1Cl.n15nnnc13.CCC5.C24=O.N23 |
36380 | COc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc9cc16.c17ccccc18.C39=O.C4(C)=O.CO5.N37.N48.O6C |
36381 | O=C(COc1cccc2ccccc12)N1CCCCC1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15cccc2ccccc12.N13CCCCC1.O=C3C4.O45 |
36382 | CCN(CC)C(=O)COc1cccc2ccccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.C3(=O)C4.N367.CC6.C7C.O45 |
36383 | CC(C)(C)NC(=O)COc1cccc2ccccc12 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.CC6(C)C.C3(=O)C4.N36.O45 |
36384 | O=C(COc1cccc2ccccc12)N1CCCC1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c15cccc2ccccc12.N13CCCC1.O=C3C4.O45 |
36386 | O=C(COc1cccc2ccccc12)N1CCOCC1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15cccc2ccccc12.N13CCOCC1.O=C3C4.O45 |
36387 | O=C(COc1ccc2ccccc2c1)N1CCCCC1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc2ccccc2c1.N13CCCCC1.O=C3C4.O45 |
36388 | CCN(CC)C(=O)COc1ccc2ccccc2c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.C3(=O)C4.N367.CC6.C7C.O45 |
36389 | O=C(COc1ccc2ccccc2c1)N1CCOCC1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc2ccccc2c1.N13CCOCC1.O=C3C4.O45 |
36390 | Cc1nc(NC(=O)c2ccccc2F)ccc1Br | [C][C][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][S][Br] | Cc1nc4ccc1Br.c15ccccc1F.C35=O.N34 |
36392 | COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCCC1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c13cccc4c17.c15ccccc16.N16CCCC1.C27=O.CO3.O4C.N25 |
36393 | CCCn1nnnc1NC(=O)c1c(OC)cccc1OC | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C] | c16c3cccc14.n17nnnc15.CCC7.C26=O.N25.O3C.O4C |
36394 | CCCn1nnc(NC(=O)c2c(OC)cccc2OC)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][=N][Ring2][Ring1][C] | c17c4cccc15.n18nnc6n1.CCC8.C37=O.N36.O4C.O5C |
36395 | CCC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring1] | c19c5cccc16.c17ccc8cc1.CCC3=O.C49=O.N37.N48.O5C.O6C |
36396 | CCCC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring1] | c19c5cccc16.c17ccc8cc1.CCCC3=O.C49=O.N37.N48.O5C.O6C |
36397 | COc1cccc(OC)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2[nH]c(=O)[nH]c2c1.c14cccc5c17.C37=O.CO4.O5C.N36 |
36399 | COc1cccc(OC)c1C(=O)Nc1sc(C)c(C)c1C#N | [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][#N] | c15sc(C)c(C)c1C#N.c13cccc4c16.C26=O.CO3.O4C.N25 |
36400 | COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N] | c14cccc5c18.c16ccc7cc1.C3(=O)C(C)C.C28=O.CO4.O5C.N26.N37 |
36401 | COc1cccc(OC)c1C(=O)Nc1ccccc1C#N | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | c13cccc4c16.c15ccccc1C#N.C26=O.CO3.O4C.N25 |
36404 | COC(=O)c1ccccc1NC(=O)c1c(OC)cccc1OC | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C] | c18c4cccc15.c17ccccc16.C27=O.C38=O.CO2.N36.O4C.O5C |
36406 | COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)C(C)C)c1 | [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][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N] | c14cccc5c18.c16cccc7c1.C3(=O)C(C)C.C28=O.CO4.O5C.N26.N37 |
36407 | O=C(CSc1ncn[nH]1)Nc1nc2ccc(F)cc2s1 | [O][=C][Branch1][#Branch2][C][S][C][=N][C][=N][NH1][Ring1][Branch1][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] | c15nc2ccc(F)cc2s1.c16ncn[nH]1.O=C3C4.S46.N35 |
36408 | CCC(=O)Nc1cccc(NC(=O)c2c(OC)cccc2OC)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1] | c19c5cccc16.c17cccc8c1.CCC3=O.C49=O.N37.N48.O5C.O6C |
36409 | Cc1cccc(NC(=O)CSc2ncn[nH]2)c1C | [C][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][NH1][Ring1][Branch1][=C][Ring1][S][C] | Cc1cccc5c1C.c16ncn[nH]1.C3(=O)C4.N35.S46 |
36410 | CCCC(=O)Nc1cccc(NC(=O)c2c(OC)cccc2OC)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1] | c19c5cccc16.c17cccc8c1.CCCC3=O.C49=O.N37.N48.O5C.O6C |
36411 | COc1cccc(OC)c1C(=O)Nc1c(C)cccc1C | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c13cccc4c16.c15c(C)cccc1C.C26=O.CO3.O4C.N25 |
36413 | NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1] | c15nnc6n14.C14CCCCC1.c16ccco1.NC(=O)C3.S35 |
36414 | Cc1nnc(SCC(=O)N2CCOCC2)n1C1CCCCC1 | [C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][#C][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nnc6n15.N13CCOCC1.C15CCCCC1.C4C3=O.S46 |
36415 | Cc1nnc(SCC(=O)N2CCC(C)CC2)n1C1CCCCC1 | [C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nnc6n15.N13CCC(C)CC1.C15CCCCC1.C4C3=O.S46 |
36416 | Cc1nnc(SCC(=O)NC(C)C)n1C1CCCCC1 | [C][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nnc6n15.C15CCCCC1.C4C2=O.C3(C)C.S46.N23 |
36417 | Cc1nnc(SCC(N)=O)n1C1CCCCC1 | [C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nnc4n13.C13CCCCC1.C2C(N)=O.S24 |
36418 | Cc1nnc(SCC(=O)N2CCCC2)n1C1CCCCC1 | [C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nnc6n15.C15CCCCC1.N13CCCC1.C4C3=O.S46 |
36419 | Cc1nnc(SCC(=O)NCc2ccco2)n1C1CCCCC1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nnc8n17.C17CCCCC1.c16ccco1.C5C3=O.S58.N34.C46 |
36420 | Cc1nnc(SCC(=O)NCC2CCCO2)n1C1CCCCC1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][N][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nnc8n17.C17CCCCC1.C16CCCO1.C5C3=O.S58.N34.C46 |
36423 | Cn1c(SCC(=O)NC(C)(C)C)nnc1C1CCCCC1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1] | Cn1c5nnc16.C16CCCCC1.C4C2=O.C3(C)(C)C.S45.N23 |
36424 | Cn1c(SCC(=O)NCC2CCCO2)nnc1-c1ccco1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | Cn1c7nnc18.C16CCCO1.c18ccco1.C5C3=O.S57.N34.C46 |
36426 | O=C(c1ccco1)c1cn(CC(=O)N2CCCC2)c2ccccc12 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c15cn6c2ccccc12.c14ccco1.N13CCCC1.C6C3=O.O=C45 |
36427 | O=C(c1ccco1)c1cn(CC(=O)N2CCOCC2)c2ccccc12 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c15cn6c2ccccc12.N13CCOCC1.c14ccco1.C6C3=O.O=C45 |
36428 | CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc16.c17ccccc1.C4C7=O.CC3=O.C26=O.N35.O24 |
36429 | CCn1c(SCc2ccccc2C#N)nnc1-c1ccco1 | [C][C][N][C][Branch1][=N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc1C#N.n14c6nnc17.c17ccco1.CC4.S36.C35 |
36431 | CC(C)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8n16.c16ccccc1.c18ccco1.C3(=O)C5.CC4C.N34.S57 |
36432 | Cn1c(SCc2ccccc2C#N)nnc1-c1ccco1 | [C][N][C][Branch1][=N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc1C#N.Cn1c5nnc16.c16ccco1.S35.C34 |
36433 | CCn1c(SCC(=O)NCC2CCCO2)nnc1-c1ccco1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | n16c8nnc19.C17CCCO1.c19ccco1.C5C3=O.CC6.S58.N34.C47 |
36434 | CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccco1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | n15c6nnc17.N13CCC(C)CC1.c17ccco1.C4C3=O.CC5.S46 |
36436 | O=C(CNC(=O)c1ccccc1)NCc1nc2ccccc2[nH]1 | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c18nc2ccccc2[nH]1.c17ccccc1.O=C3C5.C47=O.N45.N36.C68 |
36437 | CCC(=O)c1cn(CC(=O)NC(C)(C)C)c2ccccc12 | [C][C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c15cn6c2ccccc12.CCC5=O.C6C3=O.C4(C)(C)C.N34 |
36439 | CC(C)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.CC(C)C5=O.c17ccco1.C6C3=O.N34.C47 |
36440 | CC(C)C(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.CC(C)C5=O.C17CCCO1.C6C3=O.N34.C47 |
36441 | CC(C)C(=O)c1cn(CC(=O)NCc2cccs2)c2ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.CC(C)C5=O.c17cccs1.C6C3=O.N34.C47 |
36442 | CC(C)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14cn5c2ccccc12.N13CCCCC1.CC(C)C4=O.C5C3=O |
36443 | CC(C)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14cn5c2ccccc12.N13CCOCC1.CC(C)C4=O.C5C3=O |
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