ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
14361 | COc1ccc(C)cc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O] | n16c(=O)oc2cc(Cl)ccc21.c14ccc(C)cc15.C3(=O)C6.CO4.N35 |
14362 | Cc1cccc(N(C)C(=O)Cn2c(=O)oc3cc(Cl)ccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][=C][Ring2][Ring1][=Branch1] | n16c(=O)oc2cc(Cl)ccc21.Cc1cccc5c1.C4(=O)C6.N45C |
14363 | COc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc3C2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring2][Ring1][Branch1] | c14ccc5c(S6(=O)=O)c1.N16CCc2ccccc2C1.CO4.O5C |
14364 | C=CCn1c(=O)sc2cc(Br)ccc21 | [C][=C][C][N][C][=Branch1][C][=O][S][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O] | n13c(=O)sc2cc(Br)ccc21.C=CC3 |
14365 | CCC(C)(C(=O)NC1CCCC1)N(C)C(=O)c1ccc(=O)[nH]c1 | [C][C][C][Branch1][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1] | CCC4(C)C2=O.c16ccc(=O)[nH]c1.C15CCCC1.N34C.C36=O.N25 |
14366 | O=C(NC1(C(=O)NC2CCCC2)CCCCC1)c1ccc(=O)[nH]c1 | [O][=C][Branch2][Ring1][Branch2][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][=C][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1] | C157CCCCC1.c18ccc(=O)[nH]c1.C16CCCC1.O=C38.C47=O.N35.N46 |
14368 | CN(C(=O)c1cnccn1)C1(C(=O)NC2CCCC2)CCCCC1 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][=C] | C158CCCCC1.c17cnccn1.C16CCCC1.CN35.C37=O.C48=O.N46 |
14369 | Cc1csc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)n1 | [C][C][=C][S][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][=N][Ring2][Ring1][=Branch1] | C168Oc2ccccc2O1.Cc1csc7n1.C8(F)(F)F.C45=O.N47.N56 |
14370 | Cc1cc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)no1 | [C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][=N][O][Ring2][Ring1][=Branch1] | C168Oc2ccccc2O1.Cc1cc7no1.C8(F)(F)F.C45=O.N47.N56 |
14371 | CC(C)NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | C167Oc2ccccc2O1.C7(F)(F)F.CC5C.C34=O.N35.N46 |
14372 | CCC(C)NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | C167Oc2ccccc2O1.CCC5C.C7(F)(F)F.C34=O.N35.N46 |
14373 | CC(C)CNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | C167Oc2ccccc2O1.CC(C)C5.C7(F)(F)F.C34=O.N35.N46 |
14374 | COCC(C)NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | C178Oc2ccccc2O1.C5C6C.C8(F)(F)F.C34=O.CO5.N36.N47 |
14376 | O=C(NCc1ccco1)NC1(C(F)(F)F)Oc2ccccc2O1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | C167Oc2ccccc2O1.c18ccco1.C7(F)(F)F.O=C34.N35.C58.N46 |
14379 | Cc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nonc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | C3(=O)CCS(=O)(=O)c1cccc2nonc12.Cc1ccccc14.N34 |
14381 | Cc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | C4(=O)CCS(=O)(=O)c1cccc2nonc12.Cc1ccc5cc1.N45 |
14382 | O=C(CCS(=O)(=O)c1cccc2nonc12)NCc1ccccc1 | [O][=C][Branch2][Ring1][#Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3CCS(=O)(=O)c1cccc2nonc12.c15ccccc1.N34.C45 |
14383 | O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][C][C][Ring1][=Branch1] | O=C3CCS(=O)(=O)c1cccc2nonc12.N13CCCCC1 |
14384 | O=C(CCNS(=O)(=O)c1cccc2nonc12)NC1CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][C][C][Ring1][Branch1] | S5(=O)(=O)c1cccc2nonc12.O=C3CC4.C16CCCC1.N45.N36 |
14385 | O=S(=O)(NC1CCCCC1)c1cccc2nonc12 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | O=S3(=O)c1cccc2nonc12.C14CCCCC1.N34 |
14386 | O=S(=O)(NC1CCCC1)c1cccc2nonc12 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | O=S3(=O)c1cccc2nonc12.C14CCCC1.N34 |
14387 | CCCN(CCC)S(=O)(=O)c1cccc2nonc12 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | S5(=O)(=O)c1cccc2nonc12.CCC3.N345.C4CC |
14389 | Cc1ccc(CNS(=O)(=O)c2cccc3nonc23)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][O][Ring2][Ring1][Ring1] | S5(=O)(=O)c1cccc2nonc12.Cc1ccc6o1.C46.N45 |
14390 | O=S(=O)(NCc1ccc(Cl)cc1)c1cccc2nonc12 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | O=S4(=O)c1cccc2nonc12.c15ccc(Cl)cc1.N34.C35 |
14391 | OCc1cc(CO)c(O)c(CCc2ccccc2)n1 | [O][C][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] | c13cc5c(O)c4n1.c16ccccc1.C4C6.OC3.C5O |
14392 | COC(=O)c1cn(NC(=O)c2cccnc2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c14cn(NC5=O)c(=O)c2ccccc12.c15cccnc1.C34=O.CO3 |
14393 | COC(=O)c1cn(NC(=O)c2ccncc2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c14cn(NC5=O)c(=O)c2ccccc12.c15ccncc1.C34=O.CO3 |
14394 | COC(=O)c1cn(NC(=O)c2cccs2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn(NC4=O)c(=O)c2ccccc12.c14cccs1.C35=O.CO3 |
14395 | COC(=O)c1cn(NC(=O)CC2CCCCC2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c14cn(NC(=O)C5)c(=O)c2ccccc12.C15CCCCC1.C34=O.CO3 |
14396 | COC(=O)c1cn(NC(=O)CCC2CCCC2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c14cn(NC(=O)CC5)c(=O)c2ccccc12.C15CCCC1.C34=O.CO3 |
14397 | COC(=O)c1cn(NC(=O)C2CCCCC2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c15cn(NC4=O)c(=O)c2ccccc12.C14CCCCC1.C35=O.CO3 |
14398 | COC(=O)c1cn(NC(=O)C2CCC(C)CC2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c15cn(NC4=O)c(=O)c2ccccc12.C14CCC(C)CC1.C35=O.CO3 |
14399 | COC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 | [C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S] | C5(O)(C(F)(F)F)C(F)(F)F.c14ccc5cc1.C23=O.N34C.CO2 |
14400 | CC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S] | C4(O)(C(F)(F)F)C(F)(F)F.c13ccc4cc1.CC2=O.N23C |
14401 | COC(=O)C1=C(C)NC(=O)CC1c1ccc(F)c(Br)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)CC13.c13ccc(F)c(Br)c1.CO2 |
14402 | COc1ccc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][N][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2nc7sc2c1.N17CCC9CC1.C59=O.C18CC1.CO6.N58 |
14403 | COc1ccc2nc(N3CCC(C(=O)NC(C)C)CC3)sc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][N][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2nc7sc2c1.N17CCC8CC1.C48=O.C6(C)C.CO5.N46 |
14404 | COc1ccc2nc(N3CCCC(C(=O)NC4CC4)C3)sc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2nc7sc2c1.N17CCCC9C1.C59=O.C18CC1.CO6.N58 |
14405 | COc1ccc2nc(N3CCCC(C(=O)NC(C)C)C3)sc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][N][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2nc7sc2c1.N17CCCC8C1.C48=O.C6(C)C.CO5.N46 |
14406 | CN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P] | S4(=O)(=O)c1ccc5cc1.c15csc6n1.c16cccnc1.CN4C |
14407 | Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)oc2ccccc12 | [C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1c5oc2ccccc12.c14ccc(S(N)(=O)=O)cc1.C35=O.N34 |
14408 | FC(F)(F)c1cc(-c2ccco2)nc(N2CCOCC2)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][P] | c14cc5nc3n1.N13CCOCC1.c15ccco1.FC4(F)F |
14410 | FC(F)(F)c1cc(-c2ccco2)nc(NCC2CCCO2)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][Ring2][Ring1][C] | c16cc7nc4n1.c17ccco1.C15CCCO1.FC6(F)F.N34.C35 |
14411 | FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccco2)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][C] | c15cc7nc4n1.c17ccco1.c16ccco1.FC5(F)F.N34.C36 |
14413 | Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccn2)c1C | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C] | Cc1cc(C)c(C)c(S4(=O)=O)c1C.c15ccccn1.N34.C35 |
14414 | COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C | [C][O][C][=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][Ring2][Ring1][C][C] | c13ccc(S4(=O)=O)cc1C.N14CCC5CC1.C5(N)=O.CO3 |
14415 | Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C | [C][C][=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][Ring2][Ring1][C][C] | Cc1ccc(S3(=O)=O)cc1C.N13CCC4CC1.C4(N)=O |
14416 | COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)cc1C | [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][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][C] | c13cc(S4(=O)=O)c(C)cc1C.N14CCC5CC1.C5(N)=O.CO3 |
14417 | CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C] | S7(=O)(=O)c1ccc6c(C)c1.N14CCN7CC1.C34=O.CC5.O35.O6C |
14418 | CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring1][P] | S6(=O)(=O)c1ccc(C)c(C)c1.N14CCN6CC1.C34=O.CC5.O35 |
14419 | COc1ccccc1OCC(=O)NCc1ccccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccccc15.c17ccccn1.C3C2=O.CO4.O35.N26.C67 |
14420 | Cc1cccc(OCC(=O)NCc2ccncc2)c1C | [C][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C] | Cc1cccc5c1C.c17ccncc1.C4C3=O.O45.N36.C67 |
14421 | Cc1cc(C)c(C)c(OCC(=O)NCc2ccccn2)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc5c(C)c(C)c1.c17ccccn1.C4C3=O.O45.N36.C67 |
14422 | CCOC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][C][Ring2][Ring1][C] | C18COc2ccccc2O1.N15CCN6CC1.C45=O.C68=O.CC7.O47 |
14423 | O=C(C1COc2ccccc2O1)N1CCc2ccccc21 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | C14COc2ccccc2O1.N13CCc2ccccc21.O=C34 |
14424 | CCSc1nc2c(N)ncn(Cc3ccccc3)c-2n1 | [C][C][S][C][=N][C][=C][Branch1][C][N][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring1][P] | c17nc2c(N)ncn5c-2n1.c16ccccc1.CC4.S47.C56 |
14426 | O=C(NCc1cccs1)C1COc2ccccc2O1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16cccs1.O=C35.N34.C46 |
14427 | COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c17cnc2ccccc2n1.c15ccc6cc1.C47=O.CO5.N46 |
14428 | Cc1ccccc1NC(=O)CCS(=O)(=O)c1cccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C2(=O)CCS(=O)(=O)c1cccs1.Cc1ccccc13.N23 |
14429 | CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccs2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | C3(=O)CCS(=O)(=O)c1cccs1.c15cccc4c1.CC5=O.N34 |
14430 | Cc1cccc(N=C(O)CNS(=O)(=O)c2cccs2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][Ring1] | Cc1cccc(N=C(O)C3)n1.S4(=O)(=O)c1cccs1.N34 |
14431 | CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccs1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S5(=O)(=O)c1cccs1.c16ccccc1.C2(=O)C4.CN23.C36.N45 |
14432 | O=C(CNS(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1cccs1.c15ccc(Cl)cc1.O=C2C3.N34.N25 |
14433 | O=C(CNS(=O)(=O)c1cccs1)NC1CCCCCC1 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][C][C][Ring1][#Branch1] | S4(=O)(=O)c1cccs1.C15CCCCCC1.O=C2C3.N34.N25 |
14434 | O=C(CNS(=O)(=O)c1cccs1)N1CCCCCC1 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | S4(=O)(=O)c1cccs1.N12CCCCCC1.O=C2C3.N34 |
14437 | O=C(CNS(=O)(=O)c1cccs1)NCc1ccc(F)cc1 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1cccs1.c16ccc(F)cc1.O=C2C3.N35.N24.C46 |
14438 | O=C(CNS(=O)(=O)c1cccs1)N1CCC2(CC1)OCCO2 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.S5(=O)(=O)c1cccs1.O=C3C4.N45 |
14439 | CC1CC(C)CN(C(=O)CNS(=O)(=O)c2cccs2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring1] | CC1CC(C)CN3C1.S5(=O)(=O)c1cccs1.C3(=O)C4.N45 |
14440 | CCOc1ccccc1NC(=O)CNS(=O)(=O)c1cccs1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S6(=O)(=O)c1cccs1.c14ccccc17.C2(=O)C5.CC3.O34.N27.N56 |
14441 | CC(=O)Nc1ccc(NC(=O)CCSc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc7cc1.c18ccccc1.C4(=O)CC5.CC3=O.N36.N47.S58 |
14442 | Cc1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1cccs1.Cc1cccc6c1.C3(=O)C4.N36.N45 |
14443 | O=C(CNS(=O)(=O)c1cccs1)NCc1ccccc1 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1cccs1.c16ccccc1.O=C2C3.N35.N24.C46 |
14444 | O=C(CNS(=O)(=O)c1cccs1)N1CCCCC1 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][Ring1][=Branch1] | S4(=O)(=O)c1cccs1.N12CCCCC1.O=C2C3.N34 |
14445 | O=C(CNS(=O)(=O)c1cccs1)Nc1ccccn1 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | S4(=O)(=O)c1cccs1.c15ccccn1.O=C2C3.N34.N25 |
14446 | O=C(CNS(=O)(=O)c1cccs1)NCc1ccc(Cl)cc1 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1cccs1.c16ccc(Cl)cc1.O=C2C3.N35.N24.C46 |
14447 | CCCC12CN(C(C)=O)CC(C)(CN(C(C)=O)C1)C2=O | [C][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Branch1][C][C][Branch1][=N][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][#C][C][Ring1][S][=O] | C125CN3CC(C)(CN4C1)C2=O.CCC5.C3(C)=O.C4(C)=O |
14448 | CCCC(=O)N1CC2(C)CN(C(=O)CCC)CC(CCC)(C1)C2=O | [C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Ring2][C][C][C][Branch1][Ring2][C][Ring1][P][C][Ring1][S][=O] | N13CC25CN4CC(C)(C1)C2=O.CCCC3=O.C4(=O)CCC.C5CC |
14449 | O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1cccs1.c15ccc(F)cc1.O=C2CC3.N34.N25 |
14450 | O=C(CCNS(=O)(=O)c1cccs1)N1CCCC1 | [O][=C][Branch2][Ring1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1] | S4(=O)(=O)c1cccs1.O=C2CC3.N12CCCC1.N34 |
14451 | Cc1ccccc1NC(=O)CCNS(=O)(=O)c1cccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S4(=O)(=O)c1cccs1.Cc1ccccc15.C2(=O)CC3.N25.N34 |
14452 | CC1CC(C)CN(C(=O)CCNS(=O)(=O)c2cccs2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring2] | CC1CC(C)CN3C1.S5(=O)(=O)c1cccs1.C3(=O)CC4.N45 |
14453 | COc1cccc(CNC(=O)CCS(=O)(=O)c2cccs2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | C3(=O)CCS(=O)(=O)c1cccs1.c14cccc6c1.CO4.C56.N35 |
14454 | O=C(NCc1ccco1)C1(c2ccccc2)CCOCC1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C157CCOCC1.c17ccccc1.c16ccco1.O=C35.N34.C46 |
14456 | COc1ccc(C2(C(=O)NCc3ccco3)CCCC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc%10cc16.C18%10CCCC1.c19ccco1.C48=O.CO5.N47.C79.O6C |
14457 | COc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | S6(=O)(=O)c1cccs1.c14ccc7cc1.C3(=O)C5.CO4.N37.N56 |
14458 | CC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c17ccc5cc1.C168CCOCC1.c18ccccc1.CC7=O.C46=O.N45 |
14459 | Cc1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C] | Cc1cccc6c1C.S5(=O)(=O)c1cccs1.C3(=O)C4.N36.N45 |
14460 | O=C(CNS(=O)(=O)c1cccs1)Nc1cccc(F)c1 | [O][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | S4(=O)(=O)c1cccs1.c15cccc(F)c1.O=C2C3.N34.N25 |
14461 | CSc1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1cccs1.c17cccc6c1.C3(=O)C4.CS7.N36.N45 |
14462 | Cc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)oc1C | [C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][O][C][=Ring2][Ring1][Branch1][C] | Cc1cc6oc1C.C178CCOCC1.c18ccccc1.C46=O.N45.C57 |
14463 | COc1ccc(C)cc1NC(=O)CNS(=O)(=O)c1cccs1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c13ccc(C)cc16.S5(=O)(=O)c1cccs1.C2(=O)C4.CO3.N26.N45 |
14464 | COc1ccc(N(C)C(=O)CNS(=O)(=O)c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1cccs1.c14ccc7cc1.C3(=O)C5.N37C.CO4.N56 |
14465 | O=C(NCCc1ccccc1)C1(c2ccccc2)CCOCC1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C157CCOCC1.c16ccccc1.c17ccccc1.O=C35.C4C6.N34 |
14466 | COc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1cccs1.c14ccc7cc1.C3(=O)CC5.CO4.N37.N56 |
14467 | Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1F | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][F] | Cc1ccc6cc1F.S5(=O)(=O)c1cccs1.C3(=O)CC4.N36.N45 |
14468 | Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1cccs1.Cc1ccc6cc1.C3(=O)CC4.N36.N45 |
14469 | COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c15ccc7c6c1.C189CCOCC1.c19ccccc1.C48=O.CO5.N47.O6C |
14470 | CCOc1ccc(Nc2ncnc3[nH]cnc23)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S] | c16ncnc2[nH]cnc12.c15ccc7cc1.CC4.O45.N67 |
14471 | COC(=O)c1ccc(Nc2ncnc3[nH]cnc23)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S] | c15ncnc2[nH]cnc12.c17ccc6cc1.C47=O.CO4.N56 |
14472 | Fc1ccc(NCc2ccc3c(c2)OCCO3)cc1F | [F][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][C][F] | c16ccc2c(c1)OCCO2.Fc1ccc5cc1F.N45.C46 |
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