ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
24350 | CCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1OC | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C] | S6(=O)(=O)c1cc7ccc14.N13CCCCC1.C37=O.CC5.N56.O4C |
24351 | CCNS(=O)(=O)c1ccc(OC)c(C(=O)NC2CCCCC2)c1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][P] | S6(=O)(=O)c1ccc4c8c1.C17CCCCC1.C38=O.CC5.N56.O4C.N37 |
24352 | Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(N)=O | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P][C][Branch1][C][N][=O] | Cc1ccc(S3(=O)=O)cc15.c14ccccc1Cl.C5(N)=O.N34 |
24353 | Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(N)=O | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P][C][Branch1][C][N][=O] | Cc1ccc(S3(=O)=O)cc15.c14cccc(Cl)c1.C5(N)=O.N34 |
24354 | Cc1cc(Cl)c(S(N)(=O)=O)cc1OCC(N)=O | [C][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][O][O][C][C][Branch1][C][N][=O] | Cc1cc(Cl)c(S(N)(=O)=O)cc13.C2C(N)=O.O23 |
24355 | CNS(=O)(=O)c1cc(OCC(N)=O)c(C)cc1Cl | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=C][Ring1][N][Cl] | S4(=O)(=O)c1cc3c(C)cc1Cl.C2C(N)=O.CN4.O23 |
24356 | Cc1cc(Cl)c(S(=O)(=O)N(C)C)cc1OCC(N)=O | [C][C][=C][C][Branch1][C][Cl][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][=N][O][C][C][Branch1][C][N][=O] | Cc1cc(Cl)c(S4(=O)=O)cc13.C2C(N)=O.N4(C)C.O23 |
24357 | CN(c1ccccc1)S(=O)(=O)c1csc(C(N)=O)c1 | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2] | S2(=O)(=O)c1csc4c1.c13ccccc1.CN23.C4(N)=O |
24358 | Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1 | [C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccc(S(C)(=O)=O)cc1S2(=O)=O.c13ccccc1.N23 |
24359 | Cc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C] | S2(=O)(=O)c1cc(S(C)(=O)=O)ccc1C.Cc1ccccc13.N23 |
24360 | O=S1(=O)N=C(Nc2nncs2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | O=S1(=O)N=C(N3)c2ccccc21.c13nncs1 |
24361 | CC(=O)c1c(O)c(C(C)=O)c2oc(=O)cc(-c3ccccc3)c2c1O | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][Branch1][O] | c14c(O)c5c2oc(=O)cc6c2c1O.c16ccccc1.CC4=O.C5(C)=O |
24362 | Cc1cc(NC(=O)COc2ccc(Cl)c(C)c2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][=N][O][Ring2][Ring1][C] | c15ccc(Cl)c(C)c1.Cc1cc6no1.C3(=O)C4.N36.O45 |
24363 | COc1cccc(-c2noc(-c3ccccn3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][=C][Ring1][P] | c14cccc6c1.c16noc5n1.c15ccccn1.CO4 |
24364 | COc1ccc(-c2noc(-c3ccccn3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P][O][C] | c14ccc7cc15.c17noc6n1.c16ccccn1.CO4.O5C |
24365 | Clc1ccc(-c2noc(-c3ccccn3)n2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P] | Clc1ccc5cc1.c15noc4n1.c14ccccn1 |
24366 | Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cccs1 | [C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cc1[nH]c(=O)[nH]c(=O)c13.c14cccs1.C24=O.N23 |
24367 | CCCn1nnnc1N=C(O)COc1ccc(Br)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | n14nnnc1N=C(O)C2.c13ccc(Br)cc1.CCC4.O23 |
24368 | CCCn1nnnc1NC(=O)COc1ccc(CC)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2] | c14ccc7cc1.n16nnnc15.C2(=O)C3.CCC6.N25.O34.C7C |
24369 | CCCn1nnnc1N=C(O)COc1ccc(Cl)c(C)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2] | n14nnnc1N=C(O)C2.c13ccc(Cl)c(C)c1.CCC4.O23 |
24371 | Cc1cccc(NC(=O)CN2CC(c3ccccc3)CC2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][=O][=C][Ring2][Ring1][=Branch1] | Cc1cccc5c1.N16CC7CC1=O.c17ccccc1.C4(=O)C6.N45 |
24372 | Cc1ccccc1NC(=O)CN1CC(c2ccccc2)CC1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][=O] | Cc1ccccc14.N15CC6CC1=O.c16ccccc1.C3(=O)C5.N34 |
24373 | Cc1nnc(SCc2ccccc2F)n1NCc1ccccc1 | [C][C][=N][N][=C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc6n1NC5.c14ccccc1F.c15ccccc1.S36.C34 |
24374 | Cc1nnc(SCc2ccccc2F)n1NCc1cccs1 | [C][C][=N][N][=C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][=C][N][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1nnc6n1NC4.c15ccccc1F.c14cccs1.S36.C35 |
24375 | CC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][Ring1][#C][Cl] | c15cc2nn6nc2cc1Cl.c16ccccc1.CC4=O.N45 |
24376 | NC(=O)c1ccc(-n2nnnc2Oc2ccc3ccccc3c2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | c15ccc2ccccc2c1.c16ccc7cc1.n17nnnc14.NC6=O.O45 |
24378 | CC(=O)NCc1ccc(-c2nc3ccccc3s2)cc1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C] | c17nc2ccccc2s1.c16ccc7cc1.CC4=O.N45.C56 |
24379 | CC(=O)c1nn(-c2cccc(C)c2)c2nc3ccccc3n12 | [C][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][=Branch2] | c14nn5c2nc3ccccc3n12.c15cccc(C)c1.CC4=O |
24380 | N#Cc1cn(-c2ccccc2)nc1C(=O)c1ccccc1 | [N][#C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1cn5nc13.c15ccccc1.c14ccccc1.C34=O |
24381 | COC(=O)c1nn(-c2ccccc2)c2nc3ccccc3n12 | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][Ring1][=Branch2] | c15nn6c2nc3ccccc3n12.c16ccccc1.C45=O.CO4 |
24382 | COC(=O)c1nn(-c2ccc(Cl)cc2)c2nc3ccccc3n12 | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][=Branch2] | c15nn6c2nc3ccccc3n12.c16ccc(Cl)cc1.C45=O.CO4 |
24383 | COC(=O)c1nn(-c2cccc(Cl)c2)c2nc3ccccc3n12 | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][=Branch2] | c15nn6c2nc3ccccc3n12.c16cccc(Cl)c1.C45=O.CO4 |
24384 | COC(=O)c1nn(-c2ccc(C)cc2)c2nc3ccccc3n12 | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][=Branch2] | c15nn6c2nc3ccccc3n12.c16ccc(C)cc1.C45=O.CO4 |
24385 | COC(=O)c1nn(-c2cccc(C)c2)c2nc3ccccc3n12 | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][=Branch2] | c15nn6c2nc3ccccc3n12.c16cccc(C)c1.C45=O.CO4 |
24388 | CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)n2)=N1 | [C][C][Branch1][C][C][C][O][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=N][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#Branch1][=N][Ring1][=N][=N][Ring2][Ring1][Ring1] | CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)n2)=N1 |
24389 | Brc1cccc(CSc2ncnc3[nH]cnc23)c1 | [Br][C][=C][C][=C][C][Branch1][S][C][S][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=C][Ring1][P] | c16ncnc2[nH]cnc12.Brc1cccc5c1.C45.S46 |
24390 | Cn1nnnc1SCC(=O)Nc1ccc(Cl)cc1Cl | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.Cn1nnnc15.C3C2=O.S35.N24 |
24391 | CCC(=O)Nc1nnc(SCC(=O)c2ccc(Cl)cc2)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(Cl)cc1.c15nnc7s1.CCC3=O.C4C6=O.N35.S47 |
24392 | CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][P] | c17ccc(C)cc1.c16nnc8s1.CCC3=O.C5C4=O.N36.S58.N47 |
24393 | CC(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][=C] | c16cccc(Cl)c1.c15nnc7s1.CC3=O.N35.S47.C46 |
24394 | Cc1ccc(NC(=O)c2ccc(CSc3nnnn3C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c17ccc8cc1.c19nnnn1C.C47=O.N46.C58.S59 |
24396 | Cc1cccc(NC(=O)CSc2nnc(N)n2-c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | Cc1cccc5c1.c17nnc(N)n16.c16ccccc1.C3(=O)C4.N35.S47 |
24397 | Cc1cccc(CSc2nnc(N)n2-c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cccc4c1.c16nnc(N)n15.c15ccccc1.C34.S36 |
24399 | Cn1nnnc1SCc1ccc(C(=O)Nc2nccs2)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c17ccc6cc1.Cn1nnnc18.c15nccs1.C36=O.S48.C47.N35 |
24400 | O=C(Nc1nccs1)c1ccc(CSc2ccccn2)cc1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C] | c16ccc7cc1.c18ccccn1.c15nccs1.O=C36.N35.C47.S48 |
24401 | Cc1ccc(N2CC(C(=O)n3nc(C)cc3C)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][Branch1][S][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | C4(=O)n1nc(C)cc1C.Cc1ccc5cc1.N15CC4CC1=O |
24402 | Cc1ccc(SC2OC(CO)C(O)C(O)C2O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C] | C14OC3C(O)C(O)C1O.Cc1ccc5cc1.S45.C3O |
24405 | Cc1nc2sccn2c(=O)c1NC(=O)c1ccccc1 | [C][C][N][=C][S][C][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2sccn2c(=O)c14.c15ccccc1.C35=O.N34 |
24406 | O=C1Sc2ccccc2C12Sc1ccccc1C2=O | [O][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O] | O=C1Sc2ccccc2C12Sc1ccccc1C2=O |
24408 | Cc1nc2ccccn2c(=O)c1NC(=O)c1ccccc1 | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2ccccn2c(=O)c14.c15ccccc1.C35=O.N34 |
24409 | CC(=O)OC(c1ccccc1)c1nc2ccccc2[nH]1 | [C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c15nc2ccccc2[nH]1.c16ccccc1.CC3=O.C456.O34 |
24411 | CC(C(=O)Nc1cccnc1)C1Sc2ccccc2NC1=O | [C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O] | C15Sc2ccccc2NC1=O.c14cccnc1.CC5C3=O.N34 |
24412 | Cc1ccccc1N1CCN(C(=O)c2ccccc2N)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | Cc1ccccc14.N14CCN3CC1.c15ccccc1N.C35=O |
24413 | Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N] | Nc1ccccc15.N13CCN4CC1.c14cccc(Cl)c1.C35=O |
24414 | Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | Nc1ccccc15.N13CCN4CC1.c14ccc(Cl)cc1.C35=O |
24415 | COC(=O)CCC(=O)Nc1ccc(O)c(Cl)c1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(O)c(Cl)c1.C2(=O)CCC3=O.CO2.N34 |
24417 | NC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 | [N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccccc16.c15ccc(F)cc1.NC2=O.C36=O.N24.N35 |
24418 | NC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 | [N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc16.c17ccccc1.NC2=O.C36=O.C4C7.N25.N34 |
24419 | NC(=O)Nc1ccccc1C(=O)Nc1ccc(O)cc1 | [N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccccc16.c15ccc(O)cc1.NC2=O.C36=O.N24.N35 |
24420 | CNc1sc(C(=O)c2ccc(OC)cc2)c(C)c1C(=O)OC | [C][N][C][S][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][C][C][C][=Ring1][S][C][=Branch1][C][=O][O][C] | c15sc6c(C)c18.c17ccc4cc1.C67=O.C38=O.CN5.O4C.O3C |
24421 | Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.Nc1ccccc15.C35=O.N34 |
24422 | COC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc17.c18ccccc1.C23=O.C47=O.C5C8.CO2.N36.N45 |
24423 | COC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c15ccccc17.c16cccc(C)c1.C23=O.C47=O.CO2.N35.N46 |
24424 | COC(=O)Nc1ccccc1C(=O)NCc1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16ccccc17.c18ccc(Cl)cc1.C23=O.C47=O.CO2.N36.N45.C58 |
24428 | COc1ccccc1N1CCN(C(=O)Nc2ccccc2F)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][S] | c15ccccc16.N16CCN3CC1.c17ccccc1F.C34=O.CO5.N47 |
24429 | COc1ccc(OC)c(C(O)C2CCCCN2C(C)=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][C][Branch1][C][O][C][C][C][C][C][N][Ring1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1] | c14ccc5c7c1.C16CCCCN13.C67O.C3(C)=O.CO4.O5C |
24430 | COC(=O)C1=C(C)Nc2nc(N)[nH]c(=O)c2C1c1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][N][=C][Branch1][C][N][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C(C)Nc2nc(N)[nH]c(=O)c2C1c1ccccc1.CO3 |
24431 | CC(C)S(=O)(=O)n1c(N)nc2ccc(Br)cc21 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][N][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][O] | CC(C)S(=O)(=O)n1c(N)nc2ccc(Br)cc21 |
24433 | O=S(=O)(c1ccccc1)n1ccc2cccnc21 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | O=S(=O)(c1ccccc1)n1ccc2cccnc21 |
24434 | COC(=O)c1ccc(Cn2cnc3cnccc32)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][N][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][S] | n16cnc2cnccc21.c15ccc7cc1.C45=O.CO4.C67 |
24438 | CC(C(=O)c1ccccc1)n1cnc2ccccc2c1=O | [C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n14cnc2ccccc2c1=O.c13ccccc1.CC4C3=O |
24442 | Cc1ccc(Cn2cnc3ccccc3c2=O)cc1 | [C][C][=C][C][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | n14cnc2ccccc2c1=O.Cc1ccc5cc1.C45 |
24443 | N#Cc1ccc(Cn2cnc3ccccc3c2=O)cc1 | [N][#C][C][=C][C][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | n14cnc2ccccc2c1=O.N#Cc1ccc5cc1.C45 |
24445 | CS(=O)(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c16cn2ccccc2n1.c15ccc6cc1.CS4(=O)=O.N45 |
24448 | COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c15ccc7cc1.c16ccc8cc1.c18csc(C)n1.C47=O.CO5.N46 |
24449 | Cc1ccc(Nc2ccc(-n3ccnc3)nn2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][=N][Ring1][O][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c14ccc6nn1.n16ccnc1.N45 |
24450 | Clc1ccc(Nc2ccc(-n3ccnc3)nn2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][=N][Ring1][O][C][=C][Ring2][Ring1][C] | Clc1ccc5cc1.c14ccc6nn1.n16ccnc1.N45 |
24452 | COc1ccc(CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c15ccc7cc1.c16cccc8c1.c18csc(C)n1.C7C4=O.CO5.N46 |
24453 | Cc1nc(-c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][=C][S][Ring2][Ring1][#Branch1] | c18ccc7cc1.Cc1nc8cs1.c16ccccc1.C4(=O)C5C.N47.O56 |
24454 | COc1ccc(CCNS(=O)(=O)c2cccc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | S6(=O)(=O)c1cccc(C)c1.c13ccc7cc14.C7C5.CO3.N56.O4C |
24455 | COc1ccc(CCNS(=O)(=O)c2cccc(F)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | S6(=O)(=O)c1cccc(F)c1.c13ccc7cc14.C7C5.CO3.N56.O4C |
24456 | COc1cccc(S(=O)(=O)N2C(C)CCCC2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] | c13cccc(S4(=O)=O)c1.N14C(C)CCCC1C.CO3 |
24458 | CC1CN(S(=O)(=O)c2cccc(Cl)c2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring1][P] | S3(=O)(=O)c1cccc(Cl)c1.CC1CN3CC(C)O1 |
24459 | O=S(=O)(c1cccc(F)c1)N1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | O=S2(=O)c1cccc(F)c1.N12CCCCCC1 |
24460 | COc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][P] | c13cccc(S4(=O)=O)c1.c15cccc(Cl)c1.CO3.N45 |
24462 | O=S(=O)(NCC1CCCO1)c1ccc(Oc2ccccc2)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | O=S6(=O)c1ccc3cc1.c14ccccc1.C17CCCO1.N56.C57.O34 |
24463 | COc1ccc(-c2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][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][C][=C][Ring2][Ring1][=Branch1] | c18ccc(S6(=O)=O)cc1.c14ccc8cc1.C17CCCO1.CO4.N56.C57 |
24464 | O=S(=O)(Nc1ccc(F)cc1)c1c(F)cccc1F | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | O=S2(=O)c1c(F)cccc1F.c13ccc(F)cc1.N23 |
24465 | O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc(F)c1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=S4(=O)c1cccc(F)c1.c15ccc2c(c1)OCO2.N34.C35 |
24466 | COc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P] | S4(=O)(=O)c1cccc(F)c1.c13ccc5cc1.CO3.N45 |
24467 | COc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C] | S4(=O)(=O)c1c(F)cccc1F.c13ccc5cc1.CO3.N45 |
24468 | O=C(CSc1nnc2ccc3ccccc3n12)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c16nnc2ccc3ccccc3n12.N14CCOCC1.O=C4C5.S56 |
24469 | NC(=O)CSc1nnc2ccc3ccccc3n12 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][Ring1][#Branch2] | c15nnc2ccc3ccccc3n12.NC(=O)C4.S45 |
24471 | Cc1ccc(NC(=O)CCSc2nnc(C)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16nnc(C)s1.C3(=O)CC4.N35.S46 |
24472 | COc1cccc(S(=O)(=O)Nc2cccnc2)c1 | [C][O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][S] | c13cccc(S4(=O)=O)c1.c15cccnc1.CO3.N45 |
24473 | O=S(=O)(Nc1ccncc1)c1cccc(C(F)(F)F)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | O=S2(=O)c1cccc4c1.c13ccncc1.C4(F)(F)F.N23 |
24474 | O=S(=O)(NCc1ccccn1)c1cccc(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | O=S3(=O)c1cccc(Cl)c1.c14ccccn1.N23.C24 |
24475 | COc1cccc(S(=O)(=O)NCc2ccccn2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P] | c13cccc(S5(=O)=O)c1.c16ccccn1.CO3.N45.C46 |
24477 | CC(=O)c1cccc(NS(=O)(=O)c2cccc(C)c2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][P] | S3(=O)(=O)c1cccc(C)c1.c15cccc4c1.CC5=O.N34 |
24478 | Cn1c(SCC(=O)N(CCO)CCO)nc2ccccc2c1=O | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1c7nc2ccccc2c1=O.C6C3=O.N345.C4CO.C5CO.S67 |
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