ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
34332 | COc1cccc(NS(=O)(=O)c2cc(C)ccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1cc(C)ccc14.c13cccc6c1.CO3.N56.O4C |
34333 | CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | N3C1C(=O)Nc2c4cccc21.C4(F)(F)F.CC3=O |
34334 | CS(=O)(=O)N1CCc2cc(C(=O)N3CCCCC3)ccc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P] | N15CCc2cc6ccc21.N14CCCCC1.CS5(=O)=O.C46=O |
34335 | O=C(NCCC1=CCCCC1)c1cc(-n2cnnc2)ccc1Cl | [O][=C][Branch1][N][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=C][C][=C][Ring1][O][Cl] | C4CC1=CCCCC1.c15cc6ccc1Cl.n16cnnc1.O=C35.N34 |
34336 | NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n14.c16ccccc1O.c14ccccc1.NC(=O)C3.S35 |
34337 | COc1ccc(C)cc1S(=O)(=O)NC(C)(C)C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | c12ccc(C)cc1S4(=O)=O.C3(C)(C)C.CO2.N34 |
34338 | CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(C)cc1.N12CCCCCC1.C4C2=O.N345.CC3 |
34340 | Cc1cc(C)n(-c2ccc(Cl)cc2)c(=O)c1C#N | [C][C][C][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][#N] | Cc1cc(C)n3c(=O)c1C#N.c13ccc(Cl)cc1 |
34341 | CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 | [C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | S6(=O)(=O)c1ccc2ccccc2c1.N13CCCC1.C5C3=O.N456.CC4 |
34342 | NC(=O)CSc1nnc(-c2ccccn2)n1N | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N] | c14nnc5n1N.c15ccccn1.NC(=O)C3.S34 |
34343 | CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(C)cc1.N12CCOCC1.C4C2=O.N345.CC3 |
34344 | CCOC(=O)c1sc(NCC2CCCO2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][C][=Ring1][N][C] | c17sc6nc1C.C18CCCO1.C37=O.CC4.O34.N56.C58 |
34345 | Clc1ccccc1Cn1nnc(-c2cccs2)n1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | Clc1ccccc14.n13nnc5n1.c15cccs1.C34 |
34346 | CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | CCS(=O)(=O)c1nc2ccccc2n14.N13CCCCC1.C4C3=O |
34347 | CCCN1C(=O)C(O)(CC(=O)c2c(C)n[nH]c2C)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CCCN1C(=O)C(O)(CC3=O)c2ccccc21.c13c(C)n[nH]c1C |
34348 | CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc2ccccc2c1 | [C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | S6(=O)(=O)c1ccc2ccccc2c1.C5C3=O.N456.C17CC1.CC4.N37 |
34349 | CCOc1ccc(C)cc1S(=O)(=O)NCc1ccco1 | [C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c13ccc(C)cc1S5(=O)=O.c16ccco1.CC2.O23.N45.C46 |
34351 | CCCN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CCCN1C(=O)C(O)(CC4=O)c2ccccc21.c14cccc3c1.O3C |
34352 | CCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1F | [C][C][O][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][F] | c14cc(S5(=O)=O)ccc1F.N15CCC6CC1.C6(N)=O.CC3.O34 |
34353 | COc1ccc(C2(CNC(=O)c3ccc(N)cc3)CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.c17ccc(N)cc1.C189CCCC1.C47=O.CO5.C68.N46 |
34354 | CC(C)CNc1nc(SCC(N)=O)nc(N2CCOCC2)n1 | [C][C][Branch1][C][C][C][N][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][P] | c15nc6nc7n1.N16CCOCC1.CC(C)C3.C4C(N)=O.N35.S47 |
34355 | Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][N][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.c17nnc8n1N.C18CCCCC1.C4(=O)C5.N46.S57 |
34359 | COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | S5(=O)(=O)c1ccc7cc1.c13ccc6cc14.CO3.N56.S7C.O4C |
34360 | COc1cc(C(=O)N2CCOCC2)cc(Br)c1OC | [C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][Br][=C][Ring1][#C][O][C] | c14cc6cc(Br)c15.N13CCOCC1.C36=O.CO4.O5C |
34361 | COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F | [C][O][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][F] | c14cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F.CO4 |
34363 | c1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c17nn2c8nnc2s1.c1ccc6cc1.c18ccco1.O56.C57 |
34364 | CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccco1 | [C][C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(C#N)cc1.n14c6nnc17.c17ccco1.CC4.S36.C35 |
34365 | CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | S5(=O)(=O)c1ccc6cc1.c17cccs1.CC4C.C37=O.N45.N36 |
34366 | COc1ccccc1CNS(=O)(=O)c1cc(C)ccc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | S5(=O)(=O)c1cc(C)ccc13.c12ccccc16.CO2.C46.N45.O3C |
34367 | COc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl | [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] | c13cc(S4(=O)=O)ccc1Cl.C15CCCC1.CO3.N45 |
34368 | CCc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][Ring1][=N] | c14nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12.CC4 |
34369 | CCN(CC(=O)NC)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(C)cc1.C4C2=O.N345.CC3.N2C |
34370 | COC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C] | c15nc2sc(C)c(C)c2c(=O)n1C.C3(=O)C4.CO3.S45 |
34371 | COc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1cc(C)ccc14.c13ccc6cc1.CO3.N56.O4C |
34372 | NC(=O)CN1C(=O)C(O)(CC(=O)c2cccnc2)c2ccccc21 | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | NC(=O)CN1C(=O)C(O)(CC3=O)c2ccccc21.c13cccnc1 |
34374 | CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1F | [C][C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][F] | c14cc(S5(=O)=O)ccc1F.N15CCOCC1.CC3.O34 |
34375 | COc1ccccc1NS(=O)(=O)c1ccc(SC)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | S3(=O)(=O)c1ccc5cc1.c12ccccc14.CO2.N34.S5C |
34376 | Nc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccccc1)N2 | [N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2] | Nc1nc2n(n1)C(c1ccc(F)cc1)CC3N2.c13ccccc1 |
34377 | O=c1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2o1 | [O][=C][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][Ring2][Ring1][Ring1] | O=c1ccc2cc(S4(=O)=O)ccc2o1.N14CCOCC1 |
34378 | Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)C(C)C | [C][C][=C][C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c16nn2c(C)nnc2s1.Cc1cc6ccc15.C4(=O)C(C)C.N45 |
34379 | Cc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1ccccc15.c16ccc(Cl)cc1.C2(=O)C4.C36=O.N25.N34 |
34380 | COc1ccc(-c2nc3ccccc3s2)cc1NC(C)=O | [C][O][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][N][C][Branch1][C][C][=O] | c17nc2ccccc2s1.c15ccc7cc16.C4(C)=O.CO5.N46 |
34382 | O=C(Nc1ccccn1)C1OCCc2ccccc21 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=C3C1OCCc2ccccc21.c14ccccn1.N34 |
34384 | CCOc1ccc(S(=O)(=O)NCc2ccco2)c(C)c1C | [C][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][Branch1][C][C][=C][Ring1][P][C] | c14ccc(S6(=O)=O)c(C)c1C.c17ccco1.CC3.O34.N56.C57 |
34385 | CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.N12CCCCC1.C4C2=O.N345.CC3 |
34387 | Cc1ccc2[nH]c(=O)c(CNc3ccccc3)cc2c1 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2[nH]c(=O)c6cc2c1.c15ccccc1.C46.N45 |
34389 | COc1ccccc1-c1nc2sc(=Cc3ccc(C)o3)c(=O)n2n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][S][C][=Branch1][N][=C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][N][=Ring1][S] | c15nc2sc(=Cc3ccc(C)o3)c(=O)n2n1.c14ccccc15.CO4 |
34392 | NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21 | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | NC(=O)CN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccn1 |
34393 | O=C(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][=C][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | c16ccc5cc1.n14nnc6n1.N13CCOCC1.O=C3C4.C5(F)(F)F |
34394 | Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.c17nnc8n1N.c18ccccc1.C4(=O)C5.N46.S57 |
34395 | Cc1nc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1] | c15cccc(S4(=O)=O)c1.Cc1nc5cs1.N14CCCC1 |
34396 | CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(C)cc1.C4C2=O.N345.C16CC1.CC3.N26 |
34397 | Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)CCC3 | [C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][S][C][=Ring1][Branch1][Ring2][Ring1][C][C][C][C][Ring1][#Branch1] | Cn1c(=O)n4c(=O)c2c3c(sc21)CCC3.c14ccc(Cl)cc1 |
34399 | CC(NC(=O)Cn1nnc(-c2ccccc2F)n1)c1ccccc1 | [C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1F.n15nnc7n1.c16ccccc1.C3(=O)C5.CC46.N34 |
34400 | CNC(=O)c1cc2cc(Cl)cc(OC)c2oc1=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C][Ring1][=N][=O] | c15cc2cc(Cl)cc4c2oc1=O.C35=O.CN3.O4C |
34401 | Cc1c(Cl)cccc1Nc1nc(N)nc(C(F)(F)F)n1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][O] | Cc1c3cccc1Cl.c12nc4nc(N)n1.C4(F)(F)F.N23 |
34402 | C=C(C)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N | [C][=C][Branch1][C][C][C][S][C][=N][N][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][Ring1][#C][N] | c17ccc3c4c1.c16nnc7n1N.C=C(C)C5.S56.O3C.O4C |
34403 | NC(=O)c1ccc(-n2nnnc2Oc2ccc(F)cc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][N][=N][N][=C][Ring1][Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c14ccc(F)cc1.n16nnnc13.NC5=O.O34 |
34404 | CCC(=O)N1CCN(c2ccc(Cl)cc2N)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][Ring1][=C] | c14ccc(Cl)cc1N.N13CCN4CC1.CCC3=O |
34406 | CCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.C16CCCCC1.CCC3=O.N46C.N35 |
34408 | Cc1ccc(N2CC(c3nc4ccccc4n3C)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | c16nc2ccccc2n1C.Cc1ccc5cc1.N15CC6CC1=O |
34409 | COc1cc(S(=O)(=O)Nc2cccnc2)ccc1F | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][F] | c13cc(S4(=O)=O)ccc1F.c15cccnc1.CO3.N45 |
34410 | CCCn1nnc(NC(=O)c2ccccc2OC)n1 | [C][C][C][N][N][=N][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring1][S] | c16ccccc14.n17nnc5n1.CCC7.C36=O.N35.O4C |
34411 | C=CCn1c(SCC(N)=O)nnc1-c1ccccn1 | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | n13c4nnc15.c15ccccn1.C2C(N)=O.C=CC3.S24 |
34412 | C=C(C)CSc1nnc(-c2ccc(OCC)cc2)n1N | [C][=C][Branch1][C][C][C][S][C][=N][N][=C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][N][Ring1][=C][N] | c16nnc7n1N.c17ccc4cc1.C=C(C)C5.S56.O34.C3C |
34414 | COc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][=C][Ring2][Ring1][Ring2] | c17nn2c6nnc2s1.c15cccc7c1.c16ccccn1.CO5 |
34415 | O=c1ccc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2o1 | [O][=C][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][O][Ring2][Ring1][Branch1] | O=c1ccc2cc(S4(=O)=O)ccc2o1.c15ccc(F)cc1.N45 |
34416 | C=CCn1c(C2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 | [C][=C][C][N][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | n15c7nc2ccccc21.C17CC(=O)N6C1.c16ccc4cc1.C=CC5.O4C |
34417 | c1coc(-c2nnc3sc(-c4cccs4)nn23)c1 | [C][=C][O][C][Branch2][Ring1][=Branch1][C][=N][N][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C] | c15nnc2sc6nn12.c1coc5c1.c16cccs1 |
34419 | Cc1cc(C)n(-c2nc(N(C)C)nc(N3CCOCC3)n2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][#C][N][=Ring2][Ring1][Branch1] | c16nc4nc5n1.Cc1cc(C)n6n1.N15CCOCC1.N4(C)C |
34420 | COc1cc(NC(=O)C(C)(C)C)ccc1NC(=O)C(C)C | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c14cc5ccc16.C2(=O)C(C)(C)C.C3(=O)C(C)C.CO4.N25.N36 |
34421 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][Branch1][Ring1][C][C][C][C] | c18cnc9nc17.n19nc(C)cc1C.C38=O.N567.CC4.O34.C5C.C6C |
34422 | CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.C4C2=O.N345.C16CC1.CC3.N26 |
34423 | CCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17C(=O)NCCN13.c16ccccc1.C2(=O)C7.C34=O.CC5.O25.N46 |
34424 | O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCc1ccccc1 | [O][=C][Branch2][Ring1][#Branch2][C][N][N][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18ccc2c(c1)OCO2.n16nnc8n1.c17ccccc1.O=C4C6.N45.C57 |
34425 | Cc1ccccc1NC(=O)CCC1COc2ccccc2O1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.Cc1ccccc14.C3(=O)CC5.N34 |
34426 | COc1ccc(C(=O)CC2(O)C(=O)N(C(C)C)c3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | C5(=O)CC1(O)C(=O)N(C(C)C)c2ccccc21.c14ccc5cc1.CO4 |
34427 | Cc1ccc(Nc2nc(N)nc(C(F)(F)F)n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc4c(C)c1.c13nc5nc(N)n1.C5(F)(F)F.N34 |
34428 | CCOc1ccc(C)cc1S(=O)(=O)N1CCOCC1 | [C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13ccc(C)cc1S4(=O)=O.N14CCOCC1.CC2.O23 |
34429 | O=C(Nc1ccc2ncccc2c1)c1coc(=O)c(Br)c1 | [O][=C][Branch1][S][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Ring1][Branch2] | c14ccc2ncccc2c1.c15coc(=O)c(Br)c1.O=C35.N34 |
34430 | Cc1ccc(C(=O)NCc2ccco2)cc1Br | [C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][Br] | Cc1ccc5cc1Br.c16ccco1.C35=O.N34.C46 |
34431 | Cc1nc2nc(COc3ccccc3)nn2c(C)c1Cl | [C][C][=N][C][=N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][C][Cl] | Cc1nc2nc6nn2c(C)c1Cl.c15ccccc1.C46.O45 |
34433 | CCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch2] | c14cc(Cl)ccc15.N15CCN3CC1.CCC2=O.C3(=O)CC.N24 |
34434 | Cc1cccc(NC(=O)C2CC(=O)n3c(nc4ccccc43)N2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][Ring1][=C][=C][Ring2][Ring1][#Branch1] | C17CC(=O)n2c(nc3ccccc32)N1.Cc1cccc6c1.C57=O.N56 |
34435 | CNC(=O)CCC(=O)Nc1ccc(C(=O)OC)cc1 | [C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2] | C3(=O)CCC4=O.c15ccc6cc1.C26=O.CN3.N45.O2C |
34436 | CCOc1ccc(S(=O)(=O)NC)c2ccccc12 | [C][C][O][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] | c14ccc(S5(=O)=O)c2ccccc12.CC3.O34.N5C |
34437 | CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCOCC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | CCS(=O)(=O)c1nc2ccccc2n14.N13CCOCC1.C4C3=O |
34438 | COc1cccc(OC)c1C(=O)N1CCN(S(C)(=O)=O)CC1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | c13cccc4c16.N12CCN5CC1.S5(C)(=O)=O.C26=O.CO3.O4C |
34439 | COC(=O)CSc1nc(NC(C)C)nc(N2CCOCC2)n1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][S] | c18nc6nc7n1.N17CCOCC1.C3(=O)C5.C4(C)C.CO3.S58.N46 |
34440 | COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12ccc4cc1S3(=O)=O.N13CCOCC1.C4(C)(C)C.CO2 |
34441 | CCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl | [C][C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][S][Cl] | c14cc(S6(=O)=O)ccc1Cl.c17ccco1.CC3.O34.N56.C57 |
34442 | O=C(Nc1cccnc1)C1OCCc2ccccc21 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=C3C1OCCc2ccccc21.c14cccnc1.N34 |
34443 | CCc1nc2sc3c(c2c2nnc(C)n12)CC(C)(C)OC3 | [C][C][C][=N][C][S][C][=C][Branch1][S][C][=Ring1][Branch1][C][=N][N][=C][Branch1][C][C][N][Ring1][=N][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#C] | c14nc2sc3c(c2c2nnc(C)n12)CC(C)(C)OC3.CC4 |
34444 | CC(NC(=O)NCC1CCCO1)(C(F)(F)F)C(F)(F)F | [C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | CC4(C(F)(F)F)C(F)(F)F.C16CCCO1.C23=O.N24.N35.C56 |
34445 | COc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c18cccc2ncccc12.c15cc9cc6c17.C49=O.CO5.N48.O6C.O7C |
34446 | CCOc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c16ccc(S(N)(=O)=O)cc1.c14ccc7cc1.CC3.O34.C57.N56 |
34447 | COc1ccc(C2(CNC(=O)c3cccs3)CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][O][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc9cc1.C189CCOCC1.c17cccs1.C47=O.CO5.C68.N46 |
34448 | O=C(Nc1ncccc1Cl)c1cccc(F)c1 | [O][=C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c13ncccc1Cl.c14cccc(F)c1.O=C24.N23 |
34449 | CCOC(=O)C(Cc1ccc(C)cc1)c1nc2ccccc2[nH]1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c15nc2ccccc2[nH]1.c16ccc(C)cc1.C3(=O)C5C6.CC4.O34 |
34450 | O=C(CCC1COc2ccccc2O1)Nc1ccccc1Cl | [O][=C][Branch1][P][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C15COc2ccccc2O1.c14ccccc1Cl.O=C3CC5.N34 |
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