ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
10300 | CCc1cc2c(=O)n(CC(=O)c3ccc(Cl)cc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][=Ring1][P][S][Ring2][Ring1][Ring2] | c16cc2c(=O)n5cnc2s1.c14ccc(Cl)cc1.C5C4=O.CC6 |
10301 | CC(C)OCCn1cnc2sc(-c3ccccc3)cc2c1=O | [C][C][Branch1][C][C][O][C][C][N][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][Ring1][#C][=O] | n16cnc2sc7cc2c1=O.c17ccccc1.CC4C.C5C6.O45 |
10302 | CCc1cc2c(=O)n(C(C)C(=O)Nc3ccccc3C)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][=Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1] | c17cc2c(=O)n6cnc2s1.c15ccccc1C.C6(C)C4=O.CC7.N45 |
10303 | Cc1cc2c(=O)n(CC(=O)N3CCCCCC3)cnc2s1 | [C][C][=C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=N][C][=Ring1][P][S][Ring2][Ring1][Ring2] | Cc1cc2c(=O)n5cnc2s1.N14CCCCCC1.C5C4=O |
10305 | CCOc1ccccc1C(=O)Nc1nnc(C2CC2)s1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | c15ccccc17.c16nnc8s1.C37=O.C18CC1.CC4.O45.N36 |
10306 | Cc1c(C(=O)OCCc2ccccc2)sc2nc[nH]c(=O)c12 | [C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][=Ring1][#Branch1] | Cc1c5sc2nc[nH]c(=O)c12.c16ccccc1.C35=O.C4C6.O34 |
10307 | CC(C)Cc1nn2cc(-c3ccccc3)nc2s1 | [C][C][Branch1][C][C][C][C][=N][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][S][Ring1][=C] | c14nn2cc5nc2s1.c15ccccc1.CC(C)C4 |
10308 | COCc1nn2cc(-c3ccc(Cl)cc3)nc2s1 | [C][O][C][C][=N][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][S][Ring1][#C] | c15nn2cc6nc2s1.c16ccc(Cl)cc1.CO4.C45 |
10310 | COc1ccc(OCC(O)CNC(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18ccccc1.C4C(O)C7.C38=O.CO5.O46.N37 |
10311 | COc1ccc(OCC(O)CNC(=O)c2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c18ccc(C)cc1.C4C(O)C7.C38=O.CO5.O46.N37 |
10312 | COc1ccc(OCC(O)CNC(=O)C2CCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][Ring2][Ring1][C] | c15ccc6cc1.C4C(O)C7.C18CCC1.C38=O.CO5.O46.N37 |
10313 | COc1ccc(OCC(O)CNC(=O)c2cc(C)on2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18cc(C)on1.C4C(O)C7.C38=O.CO5.O46.N37 |
10316 | CCOC(=O)c1c[nH]c2c(OC)cc(OC)cc2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O] | c17c[nH]c2c5cc6cc2c1=O.C37=O.CC4.O34.O5C.O6C |
10320 | CCOC(=O)c1c[nH]c2c(OC)ccc(Cl)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Ring1][=N][=O] | c16c[nH]c2c5ccc(Cl)c2c1=O.C36=O.CC4.O34.O5C |
10322 | Cc1cc(NC(=O)c2ccccc2C(=O)Nc2cc(C)on2)no1 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][O][Ring2][Ring1][#Branch1] | c17ccccc18.Cc1cc5no1.c16cc(C)on1.C37=O.C48=O.N35.N46 |
10323 | CCOC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N14CCC9CC1.c18ccc(F)cc1.C34=O.C56=O.CC7.O37.N59.N68 |
10324 | N#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 | [N][#C][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S3(=O)(=O)c1ccccc1.N#Cc1ccc4cc1.N34 |
10329 | N#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S3(=O)(=O)c1ccc(F)cc1.N#Cc1ccc4cc1.N34 |
10330 | Cn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2)c1 | [C][N][C][=N][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring1][P] | Cn1cnc(S3(=O)=O)c1.c14ccc(C#N)cc1.N34 |
10331 | CC(=O)c1sc(NC(=O)COc2cccc(C)c2C)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=N][C][=Ring2][Ring1][C][C] | c15cccc(C)c1C.c17sc6nc1C.C3(=O)C4.CC7=O.N36.O45 |
10332 | COc1ccc(NC(=O)Cn2c(C)cc(C)nc2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring1] | n16c(C)cc(C)nc1=O.c14ccc5cc1.C3(=O)C6.CO4.N35 |
10333 | COc1ccc(OCC(O)CNC(=O)Nc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc7cc1.c19ccccc1.C5C(O)C8.C34=O.CO6.O57.N38.N49 |
10334 | COc1ccc(OCC(O)CNC(=O)Nc2cc(C)cc(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1] | c19cc(C)cc(C)c1.c16ccc7cc1.C5C(O)C8.C34=O.CO6.O57.N38.N49 |
10336 | O=S(=O)(NCc1ccccc1)c1ccc(N2CCCCC2)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N] | O=S4(=O)c1ccc5cc1.c16ccccc1.N15CCCCC1.N34.C36 |
10337 | COc1ccc(OCC(O)CNC(=O)Nc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.c19ccc(F)cc1.C5C(O)C8.C34=O.CO6.O57.N38.N49 |
10338 | CC(C)(C)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S4(=O)=O)cc1.N14CCOCC1.CC3(C)C.N35 |
10340 | CC(C)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 | [C][C][Branch1][C][C][C][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S4(=O)=O)cc1.N14CCCCC1.CC(C)C3.N35 |
10341 | O=S(=O)(NCc1ccccc1)c1ccc(N2CCOCC2)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N] | O=S4(=O)c1ccc5cc1.c16ccccc1.N15CCOCC1.N34.C36 |
10342 | CCc1ccnc(NS(=O)(=O)c2cccs2)c1 | [C][C][C][=C][C][=N][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C] | S3(=O)(=O)c1cccs1.c15ccnc4c1.CC5.N34 |
10343 | CSc1nc2sc3c(c2c(=O)n1C)CCCC3 | [C][S][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][C][Ring1][O] | c14nc2sc3c(c2c(=O)n1C)CCCC3.CS4 |
10344 | COc1ccc(-c2cn3ccc(C)cc3n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][C][=C][N][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c16cn2ccc(C)cc2n1.c14ccc6c5c1.CO4.O5C |
10345 | CCc1ccnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 | [C][C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | S4(=O)(=O)c1ccc6cc1.c17ccnc5c1.C3(C)=O.CC7.N45.N36 |
10348 | CC(=O)c1sc2nc(-c3ccccc3)cn2c1C | [C][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][=Ring1][=C][C] | c14sc2nc5cn2c1C.c15ccccc1.CC4=O |
10349 | CCOc1c(Br)cc(C#N)cc1OC | [C][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=Branch2][O][C] | c13c4cc(C#N)cc1Br.CC2.O23.O4C |
10351 | COc1cc(C#N)cc(Br)c1OC(C)C | [C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][O][C][Branch1][C][C][C] | c13cc(C#N)cc(Br)c14.C2(C)C.CO3.O24 |
10352 | CCc1ccnc(NS(=O)(=O)c2c(C)noc2C)c1 | [C][C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][Ring1][P] | S3(=O)(=O)c1c(C)noc1C.c15ccnc4c1.CC5.N34 |
10353 | CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1] | c16c(C)n7c2ccc(O)cc12.c17ccc5cc1.C36=O.CC4.O34.O5C |
10354 | CCc1ccnc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 | [C][C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc3c4c1.c17ccnc6c1.CC7.N56.O3C.O4C |
10355 | COc1ccc(-c2nnc(SC3CCCC3)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][=Branch2][S][C][C][C][C][C][Ring1][Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][C] | c14ccc7cc1.c17nnc5n1N.C16CCCC1.CO4.S56 |
10356 | CCOC(=O)c1sc2ncnc(OCC)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][Branch1][Ring2][O][C][C][=C][Ring1][=Branch2][C][=Ring1][N][C] | c17sc2ncnc6c2c1C.C37=O.CC4.O34.O56.C5C |
10357 | Cc1csc2nc(CSc3nncn3-c3ccccc3)cn12 | [C][C][=C][S][C][=N][C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | Cc1csc2nc5cn12.c17nncn16.c16ccccc1.C45.S47 |
10358 | c1ccc(-n2nnnc2SCc2cn3cccnc3n2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] | c15cn2cccnc2n1.c1ccc6cc1.n16nnnc17.S47.C45 |
10359 | Cc1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | n16c(C)nc2ccccc21.Cc1ccc5cc1.C4C(O)C6.O45 |
10360 | Cc1cc(C)n(CC(O)COc2ccc(Br)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][C] | Cc1cc(C)n5n1.c14ccc(Br)cc1.C5C(O)C3.O34 |
10361 | OC(COc1ccccc1)Cn1cnc2ccccc21 | [O][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15cnc2ccccc21.c14ccccc1.OC(C3)C5.O34 |
10363 | OCc1nc2ccccc2n1CC(O)COc1ccccc1 | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2ccccc2n15.c14ccccc1.C5C(O)C3.OC6.O34 |
10364 | Cc1ccc(OCC(O)Cn2c(CO)nc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | n16c7nc2ccccc21.Cc1ccc5cc1.C4C(O)C6.O45.C7O |
10365 | Cc1ccccc1-c1oncc1-c1nnnn1-c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][N][=C][C][=Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc13.c13oncc14.c14nnnn12.c12ccccc1 |
10366 | O=S(=O)(Nc1ccc2ccccc2n1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | c14ccc2ccccc2n1.O=S3(=O)c1cccs1.N34 |
10367 | CCN(CC)C(=O)Nc1ccc(Br)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c16ccc(Br)cc1.N245.C23=O.CC4.C5C.N36 |
10368 | CCN(CC)C(=O)Oc1ccccc1NC(C)=O | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O] | c15ccccc18.N367.C23=O.C4(C)=O.CC6.C7C.O25.N48 |
10369 | O=C(Nc1ccc2ccccc2n1)c1cccs1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | c14ccc2ccccc2n1.c15cccs1.O=C35.N34 |
10370 | Cc1c(NC(=O)N2CCOCC2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C] | Cc1c5c(=O)n6n1C.N14CCOCC1.c16ccccc1.C34=O.N35 |
10371 | CC(=O)Nc1ccccc1OC(=O)N1CCOCC1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c16ccccc15.N14CCOCC1.CC3=O.C24=O.N36.O25 |
10372 | Cc1ccc2cccc(OC(=O)N3CCOCC3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | Cc1ccc2cccc6c2n1.N15CCOCC1.C45=O.O46 |
10373 | CC(=O)Nc1ccc(OC(=O)N2CCOCC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c17ccc6cc1.N15CCOCC1.CC4=O.C35=O.N47.O36 |
10374 | O=C(Oc1cccc2cccnc12)N1CCOCC1 | [O][=C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15cccc2cccnc12.N14CCOCC1.O=C34.O35 |
10376 | Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2ccccc2n1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c14ccc2ccccc2n1.Cc1nc6ccc15.C6(F)(F)F.C35=O.N34 |
10377 | Cc1cc(OC(=O)N2CCOCC2)ccc1C(C)C | [C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][C][Branch1][C][C][C] | Cc1cc5ccc16.N14CCOCC1.C34=O.C6(C)C.O35 |
10378 | Cc1cc2ncn(C(=O)N3CCCCC3)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][=N][C][=C][Ring1][P][C] | Cc1cc2ncn(C4=O)c2cc1C.N14CCCCC1 |
10380 | O=C(N1CCOCC1)n1c(Cc2ccccc2)nc2ccccc21 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | O=C3n1c4nc2ccccc21.N13CCOCC1.c15ccccc1.C45 |
10381 | O=C(Oc1ccc2ccccc2c1Br)N1CCOCC1 | [O][=C][Branch1][P][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc2ccccc2c1Br.N14CCOCC1.O=C34.O35 |
10382 | CN(C)C(=O)Oc1ccc2ccccc2c1Br | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br] | c15ccc2ccccc2c1Br.CN4C.C34=O.O35 |
10383 | Cc1c(NC(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C] | Cc1c5c(=O)n6n1C.N14CCCCC1.c16ccccc1.C34=O.N35 |
10384 | CCN(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c17c(C)n(C)n8c1=O.c18ccccc1.N356.C34=O.CC5.C6C.N47 |
10385 | O=C(Nc1cccc(OC(=O)N2CCOCC2)c1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | c18cccc7c1.N16CCOCC1.N15CCOCC1.O=C45.C36=O.N48.O37 |
10386 | Cc1nnsc1-c1nc2cccc(C)c2c(=O)o1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][N] | c13nc2cccc(C)c2c(=O)o1.Cc1nnsc13 |
10387 | CCc1ccnc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 | [C][C][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc2c(c1)OCCCO2.c16ccnc5c1.CC6.N45 |
10388 | CCc1cc[nH]c(=NS(=O)(=O)c2ccc3c(c2)CCO3)c1 | [C][C][C][C][=C][NH1][C][=Branch2][Ring1][Branch2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=Ring2][Ring1][Ring1] | c14cc[nH]c(=NS(=O)(=O)c2ccc3c(c2)CCO3)c1.CC4 |
10389 | CCc1cc[nH]c(=NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 | [C][C][C][C][=C][NH1][C][=Branch2][Ring1][=Branch2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Ring2][Ring1][Ring2] | c14cc[nH]c(=NS(=O)(=O)c2ccc3c(c2)OCCO3)c1.CC4 |
10390 | Cc1ccc(S(=O)(=O)NC(=O)NC2CCCc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | N5C1CCCc2ccccc21.Cc1ccc(S6(=O)=O)cc1.C45=O.N46 |
10391 | O=C(Nc1ccccc1F)NC1CCCc2ccccc21 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N4C1CCCc2ccccc21.c15ccccc1F.O=C34.N35 |
10392 | Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCCc2ccccc21 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N3C1CCCc2ccccc21.Cc1nc5ccc14.C5(F)(F)F.C34=O |
10393 | O=S(=O)(NC1CCCc2ccccc21)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | N3C1CCCc2ccccc21.O=S3(=O)c1cccs1 |
10394 | Cc1nnsc1C(=O)Oc1ccccc1N1CCCCC1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c13ccccc14.Cc1nnsc15.N14CCCCC1.C25=O.O23 |
10396 | Cc1nc(C(F)(F)F)ccc1C(=O)N1CC(C)OC(C)C1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | Cc1nc4ccc13.N12CC(C)OC(C)C1.C4(F)(F)F.C23=O |
10397 | O=C(NCC(O)c1ccccc1)Nc1ccc2c(c1)CCO2 | [O][=C][Branch1][#C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | c16ccc2c(c1)CCO2.c17ccccc1.C5C7O.O=C34.N35.N46 |
10398 | O=C(NCC(O)c1ccccc1)Nc1cccs1 | [O][=C][Branch1][#C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][S][Ring1][Branch1] | c16ccccc1.c15cccs1.C4C6O.O=C23.N24.N35 |
10399 | CCN(CC)C(=O)c1ccc(C(F)(F)F)nc1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C] | c15ccc6nc1C.C6(F)(F)F.N234.C25=O.CC3.C4C |
10400 | COc1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c15ccc6cc1.c17nc8no1.c18ccccn1.C4(=O)CC7.CO5.N46 |
10404 | Cc1nc(-c2cnccn2)sc1C(=O)NCc1ccncc1 | [C][C][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1nc7sc15.c17cnccn1.c16ccncc1.C35=O.N34.C46 |
10405 | Cc1nc(-c2cnccn2)sc1C(=O)Nc1ccccc1 | [C][C][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc6sc15.c16cnccn1.c14ccccc1.C35=O.N34 |
10406 | CCOC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Ring1][S] | c17ccc(Cl)cc1Cl.C16CCCN4C1.C36=O.C47=O.CC5.O35 |
10410 | Cn1cnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 | [C][N][C][=N][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Branch1] | Cn1cnc(S4(=O)=O)c1.N14CCN5CC1.c15ccc(F)cc1 |
10411 | CN(C)c1cccc2c1c(NC(=O)Nc1ccccc1)nn2C | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][#C][C] | c16cccc2c1c5nn2C.c17ccccc1.CN6C.C34=O.N35.N47 |
10412 | COc1ccccc1NC(=O)Nc1nn(C)c2cccc(N(C)C)c12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=N][N][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=N][Ring1][=Branch2] | c16nn(C)c2cccc8c12.c15ccccc17.C34=O.N8(C)C.CO5.N37.N46 |
10413 | CN(C)c1cccc2c1c(NC(=O)Nc1ccc(F)cc1F)nn2C | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][N][Ring1][P][C] | c16cccc2c1c5nn2C.c17ccc(F)cc1F.CN6C.C34=O.N35.N47 |
10414 | CCCc1cnc(N2CCN(C(=O)c3ccccc3)CC2)nc1 | [C][C][C][C][=C][N][=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][N][=C][Ring2][Ring1][Ring2] | c17cnc5nc1.N15CCN4CC1.c16ccccc1.CCC7.C46=O |
10415 | CCCc1cnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1 | [C][C][C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1] | c17cnc5nc1.N15CCN4CC1.c16ccc(F)cc1.CCC7.C46=O |
10416 | CCCc1cnc(N2CCN(C(=O)c3cc(C)on3)CC2)nc1 | [C][C][C][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2] | c17cnc5nc1.N15CCN4CC1.c16cc(C)on1.CCC7.C46=O |
10417 | CCCc1cnc(N2CCN(S(C)(=O)=O)CC2)nc1 | [C][C][C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][N][=C][Ring1][S] | c15cnc4nc1.N14CCN3CC1.S3(C)(=O)=O.CCC5 |
10418 | COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][C][C][=C][Ring2][Ring1][#Branch1] | N14CCc2cc6c7cc2C1C.c15ccc8cc1.C48=O.CO5.O6C.O7C |
10419 | COc1cc2c(cc1OC)C(C)N(C(=O)c1ccc(F)cc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2] | c14cc2c(cc15)C(C)N3CC2.c16ccc(F)cc1.C36=O.CO4.O5C |
10420 | COc1cc2c(cc1OC)C(C)N(C(=O)c1ccccc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c14cc2c(cc15)C(C)N3CC2.c16ccccc1.C36=O.CO4.O5C |
10421 | COc1cc2c(cc1OC)C(C)N(C(=O)c1cccs1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][C] | c14cc2c(cc15)C(C)N3CC2.c16cccs1.C36=O.CO4.O5C |
10422 | COc1cc2c(cc1OC)C(C)N(C(=O)Nc1ccc(F)cc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1] | c15cc2c(cc16)C(C)N3CC2.c17ccc(F)cc1.C34=O.CO5.O6C.N47 |
10423 | NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] | c12cc3cc4c1.C3(F)(F)F.C4(F)(F)F.NC2=O |
10424 | COc1cc2c(cc1OC)C(C)N(C(=O)Nc1ccccc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c15cc2c(cc16)C(C)N3CC2.c17ccccc1.C34=O.CO5.O6C.N47 |
10425 | O=S(=O)(NC1CCCc2ccccc21)c1cccc2nonc12 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | O=S3(=O)c1cccc2nonc12.N3C1CCCc2ccccc21 |
10426 | Cc1noc(C)c1S(=O)(=O)NC1Cc2ccccc2C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | Cc1noc(C)c1S3(=O)=O.C14Cc2ccccc2C1.N34 |
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