ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
11427 | CCCn1c(=O)cc(N)n(-c2ccc(OC(F)(F)F)cc2)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring2][Ring1][Ring1][=O] | n14c(=O)cc(N)n5c1=O.c15ccc3cc1.O3C(F)(F)F.CCC4 |
11428 | Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)C(C)C | [C][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | Cc1cc2nn6nc2cc15.c16ccccc1.C4(=O)C(C)C.N45 |
11429 | CCCn1c(=O)c(C#N)cn(-c2ccc(Cl)cc2)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S][=O] | n13c(=O)c(C#N)cn4c1=O.c14ccc(Cl)cc1.CCC3 |
11430 | O=c1[nH]nc(CSc2ccccn2)c2ccccc12 | [O][=C][NH1][N][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | O=c1[nH]nc4c2ccccc12.c15ccccn1.C34.S35 |
11432 | Cn1ccnc1SCc1n[nH]c(=O)c2ccccc12 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c14n[nH]c(=O)c2ccccc12.Cn1ccnc15.S35.C34 |
11434 | COc1ccc(S(=O)(=O)NCc2ccco2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][O][C] | c13ccc(S6(=O)=O)cc14.c17ccco1.CO3.N56.C57.O4C |
11435 | Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccnc1 | [C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1cc(Cl)cc(Cl)c14.c15cccnc1.C3C2=O.O34.N25 |
11436 | COc1ccc(NC(=O)NCc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc7cc1.c18ccccc1.C34=O.CO5.N37.N46.C68 |
11437 | CSc1ccc(NC(=O)NCc2ccccc2)cc1 | [C][S][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c18ccc6cc1.c17ccccc1.C34=O.CS8.N36.N45.C57 |
11438 | COc1cccc(NC(=O)NCc2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c15cccc7c1.c18ccccc1.C34=O.CO5.N37.N46.C68 |
11441 | Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 | [N][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Nc1cc(=O)n3c(=O)n15.c15ccc(F)cc1.c14ccccc1.C34 |
11442 | Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1cccc(F)c1 | [N][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Nc1cc(=O)n3c(=O)n15.c15cccc(F)c1.c14ccccc1.C34 |
11443 | O=c1c2[nH]cnc2n(-c2ccc(F)cc2)c(=O)n1Cc1ccccc1 | [O][=C][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2[nH]cnc2n5c(=O)n13.c15ccc(F)cc1.c14ccccc1.C34 |
11444 | O=c1c2[nH]cnc2n(-c2cccc(F)c2)c(=O)n1Cc1ccccc1 | [O][=C][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2[nH]cnc2n5c(=O)n13.c15cccc(F)c1.c14ccccc1.C34 |
11445 | CSc1ccc(-n2c(N)cc(=O)n(Cc3ccccc3)c2=O)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | n16c(N)cc(=O)n4c1=O.c17ccc6cc1.c15ccccc1.CS7.C45 |
11446 | Nc1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | n16c(=O)n4c(=O)c2[nH]cnc21.Nc1cccc6c1.c15ccccc1.C45 |
11447 | N#Cc1cnn(S(=O)(=O)c2ccc(Cl)cc2)c1C1CC1 | [N][#C][C][C][=N][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#C][C][C][C][Ring1][Ring1] | N#Cc1cnn(S(=O)(=O)c2ccc(Cl)cc2)c13.C13CC1 |
11448 | N#Cc1cnn(C(=O)c2ccc(Cl)cc2)c1C1CC1 | [N][#C][C][C][=N][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][=C][C][C][C][Ring1][Ring1] | N#Cc1cnn(C3=O)c14.c13ccc(Cl)cc1.C14CC1 |
11449 | FC(F)(F)c1cc(-c2ccncc2)nc2cc(-c3ccco3)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][Ring2][Ring1][#Branch2] | c14cc6nc2cc5nn12.c16ccncc1.c15ccco1.FC4(F)F |
11450 | Cc1cc2nc(-c3ccncc3)cc(C(F)(F)F)n2n1 | [C][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][S][N][=Ring2][Ring1][Ring1] | Cc1cc2nc5cc4n2n1.c15ccncc1.C4(F)(F)F |
11451 | COc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 | [C][O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring1][S] | c14cccc6c1.c15ccc(Cl)cn1.C36=O.CO4.N35 |
11452 | O=C(COc1ccccc1)Nc1ccc(Cl)cn1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c15ccc(Cl)cn1.c14ccccc1.O=C2C3.O34.N25 |
11453 | Cc1ccc(OCC(=O)Nc2cccc(C)n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(C)c1.c16cccc(C)n1.C4C3=O.O45.N36 |
11454 | Cc1cccc(NC(=O)COc2ccc(C)c(C)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring1] | c15ccc(C)c(C)c1.Cc1cccc6n1.C3(=O)C4.N36.O45 |
11455 | CCc1ccc(OCC(=O)Nc2cccc(C)n2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c16cccc(C)n1.C4C3=O.CC7.O45.N36 |
11456 | COc1ccc(C(=O)Nc2cccc(C)n2)cc1Cl | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S][Cl] | c14ccc6cc1Cl.c15cccc(C)n1.C36=O.CO4.N35 |
11457 | CCOc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 | [C][C][O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring1][S] | c15cccc7c1.c16ccc(Cl)cn1.C37=O.CC4.O45.N36 |
11459 | Cc1cccc(NC(=O)c2ccc(-c3ccccc3)o2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=N][Ring2][Ring1][Ring2] | Cc1cccc5n1.c16ccc7o1.c17ccccc1.C46=O.N45 |
11460 | COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring1][S][Cl] | c14ccc6cc1Cl.c15ccc(Cl)cn1.C36=O.CO4.N35 |
11461 | O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cn1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ccc(Cl)cn1.O=C2C3.O34.N25 |
11462 | CC(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C | [C][C][=Branch1][C][=O][N][C][=C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][Ring1][S][C] | c15cc2nn6nc2cc1C.c16ccc(Cl)cc1.CC4=O.N45 |
11463 | COC(=O)c1cc(NC(=O)c2cccnc2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1] | c17cc6cc9c1.c18cccnc1.C37=O.C58=O.C49=O.CO3.N56.O4C |
11464 | FC(F)(F)c1cc(-c2ccccn2)nc2cc(C3CC3)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring2][Ring1][C][Ring1][Branch2] | c14cc5nc2cc6nn12.c15ccccn1.FC4(F)F.C16CC1 |
11465 | O=C(Nc1ccc(F)cc1F)c1ccc2nonc2c1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c15ccc2nonc2c1.c14ccc(F)cc1F.O=C35.N34 |
11466 | COc1ccc(NC(=O)c2ccc3nonc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c17ccc2nonc2c1.c15ccc6cc1.C47=O.CO5.N46 |
11467 | Cc1cccc(NC(=O)c2cc(Br)ccc2Cl)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][P] | c15cc(Br)ccc1Cl.Cc1cccc4n1.C35=O.N34 |
11468 | Cc1cc2nc(-c3cccnc3)cc(C(F)(F)F)n2n1 | [C][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][S][N][=Ring2][Ring1][Ring1] | Cc1cc2nc5cc4n2n1.c15cccnc1.C4(F)(F)F |
11469 | O=C(c1ccc2nonc2c1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][=C][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c15ccc2nonc2c1.N13CCN4CC1.c14ccccc1.O=C35 |
11470 | FC(F)(F)c1cc(-c2cccnc2)nc2cc(C3CC3)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring2][Ring1][C][Ring1][Branch2] | c14cc6nc2cc5nn12.c16cccnc1.FC4(F)F.C15CC1 |
11471 | Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccccc1 | [N][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1cc(=O)n3c(=O)n15.c14ccccc1.c15ccccc1.C34 |
11472 | Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 | [N][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Nc1cc(=O)n3c(=O)n15.c15ccc(Cl)cc1.c14ccccc1.C34 |
11473 | O=c1c2[nH]cnc2n(-c2ccccc2)c(=O)n1Cc1ccccc1 | [O][=C][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2[nH]cnc2n5c(=O)n13.c15ccccc1.c14ccccc1.C34 |
11474 | CCOC(=O)c1ccccc1NC(=O)c1ccccn1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | c17ccccc15.c16ccccn1.C27=O.C36=O.CC4.O24.N35 |
11475 | Cc1ccccc1-n1c(N)cc(=O)n(Cc2cccs2)c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C][=O] | n15c(N)cc(=O)n3c1=O.Cc1ccccc15.c14cccs1.C34 |
11476 | Cc1ccccc1-n1c(N)cc(=O)n(Cc2ccco2)c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=C][=O] | n15c(N)cc(=O)n3c1=O.Cc1ccccc15.c14ccco1.C34 |
11477 | O=C(NCc1ccccc1F)Nc1ccccc1F | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.c15ccccc1F.O=C23.N24.C46.N35 |
11478 | Cc1ccccc1-n1c(=O)n(Cc2ccco2)c(=O)c2[nH]cnc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][Ring1][P] | n15c(=O)n3c(=O)c2[nH]cnc21.Cc1ccccc15.c14ccco1.C34 |
11479 | O=C(NCc1ccccc1F)NC1CCCCC1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][C][C][Ring1][=Branch1] | c16ccccc1F.C15CCCCC1.O=C23.N24.C46.N35 |
11481 | Cc1ccccc1-n1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][Ring2][Ring1][C] | n15c(=O)n3c(=O)c2[nH]cnc21.Cc1ccccc15.c14ccccc1.C34 |
11482 | Nc1cc(=O)n(Cc2ccccc2F)c(=O)n1-c1ccccc1F | [N][C][=C][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Nc1cc(=O)n3c(=O)n15.c14ccccc1F.c15ccccc1F.C34 |
11483 | CSc1ccccc1NC(=O)NCc1ccccc1F | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17ccccc15.c16ccccc1F.C23=O.CS7.N25.N34.C46 |
11484 | CCOC(=O)c1c(C)oc(=O)c(Br)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Ring1][=Branch2][C] | c14c(C)oc(=O)c(Br)c1C.C24=O.CC3.O23 |
11485 | CSc1nc(N)nc(C2COc3ccccc3O2)n1 | [C][S][C][=N][C][Branch1][C][N][=N][C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=N][Ring1][P] | C15COc2ccccc2O1.c14nc5nc(N)n1.CS4 |
11486 | COC(=O)c1c(C)oc(=O)c(Br)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Ring1][=Branch2][C] | c13c(C)oc(=O)c(Br)c1C.C23=O.CO2 |
11487 | CCOc1ccc(-c2cc(C(N)=O)c3ccccc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17cc6c2ccccc2n1.c15ccc7cc1.C6(N)=O.CC4.O45 |
11488 | CN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][N][=Ring1][=Branch2][S][Ring1][=C] | S3(=O)(=O)c1ccc5s1.c15cc4on1.C4(F)(F)F.CN3C |
11489 | N#Cc1cn(Cc2ccccc2Cl)c(=O)[nH]c1=O | [N][#C][C][=C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O] | N#Cc1cn3c(=O)[nH]c1=O.c14ccccc1Cl.C34 |
11490 | N#Cc1nccnc1N1CCN(c2ccccc2)CC1 | [N][#C][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N#Cc1nccnc13.N13CCN4CC1.c14ccccc1 |
11491 | N#Cc1cn(Cc2cccc(Cl)c2)c(=O)[nH]c1=O | [N][#C][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O] | N#Cc1cn3c(=O)[nH]c1=O.c14cccc(Cl)c1.C34 |
11492 | O=S(=O)(c1cccs1)N1CCN(c2ccccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | O=S3(=O)c1cccs1.N13CCN4CC1.c14ccccc1 |
11493 | CCCn1c(=O)cc(N)n(-c2ccccc2C)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O] | n13c(=O)cc(N)n4c1=O.c14ccccc1C.CCC3 |
11495 | COc1ccc(C)c(-n2c(N)cc(=O)n(Cc3ccccc3)c2=O)c1 | [C][O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1] | n17c(N)cc(=O)n5c1=O.c14ccc(C)c7c1.c16ccccc1.CO4.C56 |
11496 | COC(=O)c1cccc(NC(=O)NCc2ccccc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C] | c18cccc7c1C.c19ccccc1.C38=O.C45=O.CO3.N47.N56.C69 |
11498 | CCCn1c(=O)c(C#N)cn(-c2ccccc2C)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=O] | n13c(=O)c(C#N)cn4c1=O.c14ccccc1C.CCC3 |
11500 | CCCn1c(=O)c(Br)cn(-c2ccccc2C)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][Br][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O] | n13c(=O)c(Br)cn4c1=O.c14ccccc1C.CCC3 |
11501 | CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c18ccc(S7(=O)=O)cc1.c19ccccc1.C34=O.CC5.O35.N48.N67.C69 |
11503 | COc1cccc(NC(=O)NCc2ccccc2)c1C | [C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C] | c15cccc7c1C.c18ccccc1.C34=O.CO5.N37.N46.C68 |
11504 | COc1cccc(-n2c(N)cc(=O)n(Cc3ccccc3)c2=O)c1C | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][=C][Ring2][Ring1][=Branch1][C] | n17c(N)cc(=O)n5c1=O.c14cccc7c1C.c16ccccc1.CO4.C56 |
11505 | CCCn1c(=O)c2oc(C)cc2n(-c2ccccc2C)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=O] | n13c(=O)c2oc(C)cc2n4c1=O.c14ccccc1C.CCC3 |
11506 | CC1CN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | c15cccc2c1-c1ccccc1C2=O.CC1CN4CC(C)O1.C45=O |
11507 | CC(=O)Nc1c(C(C)(C)C)nn2c(C)cc(C(F)(F)F)nc12 | [C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=Ring2][Ring1][C][Ring1][O] | c14c5nn2c(C)cc6nc12.C5(C)(C)C.C6(F)(F)F.CC3=O.N34 |
11508 | Cc1ccccc1-n1cc(Br)c(=O)[nH]c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O] | n12cc(Br)c(=O)[nH]c1=O.Cc1ccccc12 |
11509 | O=S(=O)(NC1CC2CCC1C2)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S3(=O)c1cccs1.C14CC2CCC1C2.N34 |
11510 | O=C(Nc1ccc(F)cc1F)c1ccc2ncccc2c1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ncccc2c1.c14ccc(F)cc1F.O=C35.N34 |
11511 | COc1ccc(NC(=O)c2ccc3ncccc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c17ccc2ncccc2c1.c15ccc6cc1.C47=O.CO5.N46 |
11514 | O=C(c1ccc2ncccc2c1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c15ccc2ncccc2c1.N13CCN4CC1.c14ccccc1.O=C35 |
11515 | COc1ccc2c(c1OC)C(=O)N1c3cccc(Cl)c3C(=O)OC21 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring1][Ring1][N] | c14ccc2c(c15)C(=O)N1c3cccc(Cl)c3C(=O)OC21.CO4.O5C |
11518 | O=S(=O)(c1cccs1)N1CCN(c2ncccn2)CC1 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | O=S3(=O)c1cccs1.N13CCN4CC1.c14ncccn1 |
11520 | COc1ccc(CNC(=O)Nc2cccc(SC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c17cccc9c1.C34=O.CO5.C68.N36.N47.S9C |
11521 | COC(=O)c1ccc(CNC(=O)Nc2cccc(SC)c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc9cc1.c17cccc%10c1.C38=O.C45=O.CO3.C69.N46.N57.S%10C |
11522 | COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccc(O)cc1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13ccc2c(c14)C(=O)OC2CC5=O.c15ccc(O)cc1.CO3.O4C |
11524 | Nc1nc(-c2ccc3c(c2)CCC3)cc(C(F)(F)F)n1 | [N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] | c15ccc2c(c1)CCC2.Nc1nc4cc5n1.C4(F)(F)F |
11525 | FC(F)(F)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][NH1][Ring1][=C] | c15ccc2c(c1)OCO2.c14cc5n[nH]1.FC4(F)F |
11526 | Nc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 | [N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] | c15ccc2c(c1)OCO2.Nc1nc4cc5n1.C4(F)(F)F |
11527 | COc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][N][=Ring1][=Branch2][C][=C][Ring1][#C][O][C] | c13ccc6cc14.c16cc5[nH]n1.C5(F)(F)F.CO3.O4C |
11528 | FC(F)(F)c1cc(-c2nccs2)nc2cc(C3CC3)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][P][Ring1][Branch2] | c14cc5nc2cc6nn12.c15nccs1.FC4(F)F.C16CC1 |
11529 | Cc1cc2nc(-c3nccs3)cc(C(F)(F)F)n2n1 | [C][C][C][=C][N][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][#C][N][=Ring2][Ring1][C] | Cc1cc2nc5cc4n2n1.c15nccs1.C4(F)(F)F |
11532 | COC(=O)c1sccc1NC(=O)c1ccc2nonc2c1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c17ccc2nonc2c1.c16sccc15.C36=O.C47=O.CO3.N45 |
11537 | COc1cc(NC(=O)NC2Cc3ccccc3C2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | C19Cc2ccccc2C1.c16cc7cc8c1.C45=O.CO6.N48.N59.O7C |
11538 | COc1cccc(NC(=O)NC2Cc3ccccc3C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | C18Cc2ccccc2C1.c16cccc7c1.C45=O.CO6.N47.N58 |
11540 | O=C(NC1Cc2ccccc2C1)c1cncc(Br)c1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | C14Cc2ccccc2C1.c15cncc(Br)c1.O=C35.N34 |
11541 | COc1ccc(C(=O)NC2Cc3ccccc3C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C] | C17Cc2ccccc2C1.c15ccc8cc16.C48=O.CO5.N47.O6C |
11542 | O=C(NC1Cc2ccccc2C1)c1ccc2nonc2c1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | C14Cc2ccccc2C1.c15ccc2nonc2c1.O=C35.N34 |
11543 | CC(=O)Nc1ccc(S(=O)(=O)NC2Cc3ccccc3C2)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][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc(S5(=O)=O)cc1.C17Cc2ccccc2C1.CC4=O.N46.N57 |
11545 | O=S(=O)(NC1Cc2ccccc2C1)c1cccc2nonc12 | [O][=S][=Branch1][C][=O][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | O=S3(=O)c1cccc2nonc12.C14Cc2ccccc2C1.N34 |
11547 | O=S(=O)(NC1Cc2ccccc2C1)c1cccc(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | O=S3(=O)c1cccc(Cl)c1.C14Cc2ccccc2C1.N34 |
11548 | O=c1cc(-n2ccc(C(F)(F)F)n2)oc2ccccc12 | [O][=C][C][=C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | O=c1cc4oc2ccccc12.n14ccc3n1.C3(F)(F)F |
11549 | COc1cccc(SCC(=O)NC2Cc3ccccc3C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | C17Cc2ccccc2C1.c15cccc8c1.C6C4=O.CO5.S68.N47 |
11550 | CCn1nnnc1SCC(=O)NC1Cc2ccccc2C1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | C15Cc2ccccc2C1.n16nnnc17.C4C3=O.CC6.S47.N35 |
11551 | Cn1ccnc1SCC(=O)NC1Cc2ccccc2C1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | C15Cc2ccccc2C1.Cn1ccnc16.C4C3=O.S46.N35 |
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