ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
17336 | COC(=O)CN1C(=O)Nc2ccc(C)cc2C1c1ccccc1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N14C(=O)Nc2ccc(C)cc2C1c1ccccc1.C3(=O)C4.CO3 |
17337 | CCOC(=O)C(C)(CC)Nc1n[nH]c(=O)[nH]c1=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][C][N][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | c15n[nH]c(=O)[nH]c1=O.C2(=O)C4(C)CC.CC3.O23.N45 |
17338 | O=S(=O)(Cc1ccccc1)NCC1COc2ccccc2O1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16ccccc1.O=S4(=O)C6.N34.C35 |
17339 | O=S(=O)(NCC1COc2ccccc2O1)c1ccc(F)cc1F | [O][=S][=Branch1][C][=O][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | O=S4(=O)c1ccc(F)cc1F.C15COc2ccccc2O1.N34.C35 |
17340 | COc1cc(N)ccc1NS(=O)(=O)c1ccccc1 | [C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c12cc(N)ccc14.CO2.N34 |
17341 | COc1cc(N)ccc1NS(=O)(=O)c1ccc(C)cc1 | [C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(C)cc1.c12cc(N)ccc14.CO2.N34 |
17342 | Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2Cl)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C] | Cc1ccc(S3(=O)=O)cc1.c14ccc(N)cc1Cl.N34 |
17343 | COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(OC)cc1N | [C][O][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Ring1][N] | S5(=O)(=O)c1ccc(C)cc1.c13cc6c4cc1N.CO3.N56.O4C |
17344 | Cc1c(CCO)c2ccccc2n1-c1ccccc1 | [C][C][=C][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c3c2ccccc2n14.c14ccccc1.C3CO |
17345 | COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][=N] | c13ccc2c(c1)-c1ccccc1S(=O)(=O)N2.CO3 |
17346 | COc1ccc(Br)cc1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12ccc(Br)cc1S3(=O)=O.N13CCOCC1.CO2 |
17347 | COc1ccc(Br)cc1S(=O)(=O)N1CCCCC1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c12ccc(Br)cc1S3(=O)=O.N13CCCCC1.CO2 |
17351 | COc1ccc(Br)cc1S(=O)(=O)NCc1ccco1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c12ccc(Br)cc1S4(=O)=O.c15ccco1.CO2.N34.C35 |
17352 | Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2ncnc6c2c1C.C17COc2ccccc2O1.N56.C57 |
17354 | Cc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1 | [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][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc(S4(=O)=O)c(C)c1.c15ccccn1.N34.C35 |
17356 | COc1ccc(Cl)cc1S(=O)(=O)N1CCCCCC1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | c12ccc(Cl)cc1S3(=O)=O.N13CCCCCC1.CO2 |
17357 | COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C)CC1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c12ccc(Cl)cc1S3(=O)=O.N13CCC(C)CC1.CO2 |
17359 | CCCn1c(=O)c2c(c3ccccc31)OCC(=O)N2 | [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][=Branch1][C][=O][N][Ring1][=N] | n14c(=O)c2c(c3ccccc31)OCC(=O)N2.CCC4 |
17360 | CCCn1c(=O)c2c(c3ccccc31)OC(C)C(=O)N2 | [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=C] | n14c(=O)c2c(c3ccccc31)OC(C)C(=O)N2.CCC4 |
17362 | CCn1c(=O)c2c(c3ccccc31)OC(C)C(=O)N2 | [C][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=C] | n14c(=O)c2c(c3ccccc31)OC(C)C(=O)N2.CC4 |
17363 | CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCCC2)c1 | [C][C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c15ccc6c(S7(=O)=O)c1.N17CCCCCC1.CC3.O35.O46.C4C |
17364 | CCOc1ccc(OCC)c(S(=O)(=O)N2CCC(C)CC2)c1 | [C][C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c15ccc6c(S7(=O)=O)c1.N17CCC(C)CC1.CC3.O35.O46.C4C |
17365 | CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2C)c1 | [C][C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6c(S7(=O)=O)c1.N17CCCCC1C.CC3.O35.O46.C4C |
17366 | CCOc1ccc(OCC)c(S(=O)(=O)n2nc(C)cc2C)c1 | [C][C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6c(S(=O)(=O)n2nc(C)cc2C)c1.CC3.O35.O46.C4C |
17367 | COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Cl] | c13cc(S5(=O)=O)c4cc1Cl.N15CCCCC1.CO3.O4C |
17368 | COc1cc(S(=O)(=O)N2CCCCC2C)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][Cl] | c13cc(S5(=O)=O)c4cc1Cl.N15CCCCC1C.CO3.O4C |
17370 | Cc1cc(Cl)ccc1S(=O)(=O)N1CCOCC1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1cc(Cl)ccc1S2(=O)=O.N12CCOCC1 |
17373 | Cc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)no1 | [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][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][Ring1] | C3(=O)CCS(=O)(=O)c1ccccc1.Cc1cc4no1.N34 |
17375 | O=C(Cn1c(=O)oc2ccccc21)NCCC1=CCCCC1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1] | n15c(=O)oc2ccccc21.C4CC1=CCCCC1.O=C3C5.N34 |
17376 | COc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | n17c(=O)oc2ccccc21.c15cccc6c1.C4(=O)C7.CO5.N46 |
17377 | O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccccc1F | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | n15c(=O)oc2cc(Cl)ccc21.c14ccccc1F.O=C3C5.N34 |
17378 | Cc1cc2c(=O)n(CC(=O)Nc3ccc(C)c(F)c3)cnc2s1 | [C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][C][=N][C][=Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1] | Cc1cc2c(=O)n6cnc2s1.c15ccc(C)c(F)c1.C6C4=O.N45 |
17379 | Cc1cc2c(=O)n(CC(=O)N3CCCC3)cnc2s1 | [C][C][=C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | Cc1cc2c(=O)n5cnc2s1.N14CCCC1.C5C4=O |
17380 | Cc1cc2c(=O)n(CC(=O)NC3CCCC(C)C3C)cnc2s1 | [C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][=N][C][=Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1] | Cc1cc2c(=O)n6cnc2s1.C15CCCC(C)C1C.C6C4=O.N45 |
17381 | O=C(Oc1ccc2sc(=O)oc2c1)c1cccs1 | [O][=C][Branch2][Ring1][C][O][C][=C][C][=C][S][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | c14ccc2sc(=O)oc2c1.c15cccs1.O=C35.O34 |
17382 | O=C(c1ccccc1F)N1CCn2c1nc1ccccc12 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCn2c1nc1ccccc12.c14ccccc1F.O=C34 |
17383 | O=C(C1CCCCC1)N1CCn2c1nc1ccccc12 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCn2c1nc1ccccc12.C14CCCCC1.O=C34 |
17384 | O=C(c1ccco1)N1CCn2c1nc1ccccc12 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCn2c1nc1ccccc12.c14ccco1.O=C34 |
17385 | COc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | N14CCn2c1nc1ccccc12.c15ccc6cc1.C46=O.CO5 |
17386 | O=C(c1cccs1)N1CCn2c1nc1ccccc12 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCn2c1nc1ccccc12.c14cccs1.O=C34 |
17387 | COc1ccccc1C(=O)N1CCn2c1nc1ccccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCn2c1nc1ccccc12.c14ccccc15.C35=O.CO4 |
17388 | COc1cccc(C(=O)N2CCn3c2nc2ccccc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | N14CCn2c1nc1ccccc12.c15cccc6c1.C46=O.CO5 |
17389 | COc1ccc(C(=O)Oc2ccc3sc(=O)oc3c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][S][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c16ccc2sc(=O)oc2c1.c15ccc8cc17.C48=O.CO5.O46.O7C |
17390 | Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)ccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c14cc(C)ccn1.N34 |
17391 | COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc(S(=O)(=O)CCC3=O)cc1.c15ccc(C)cn1.CO4.N35 |
17393 | Cc1ccc(NC(=O)CNC(=O)c2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c17ccco1.C3(=O)C5.C47=O.N36.N45 |
17394 | O=C(CNC(=O)c1ccco1)Nc1ccc(Cl)cc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c16ccco1.O=C2C4.C36=O.N34.N25 |
17395 | O=C(CNC(=O)c1ccco1)Nc1ccc(Br)cc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.c16ccco1.O=C2C4.C36=O.N34.N25 |
17398 | CCOc1ccc2nc(C(=O)N3CCCCCC3)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] | c16ccc2nc7sc2c1.N14CCCCCC1.C47=O.CC5.O56 |
17399 | CCOc1ccc2nc(C(=O)N3CCCC(C)C3)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] | c16ccc2nc7sc2c1.N14CCCC(C)C1.C47=O.CC5.O56 |
17400 | O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17nc2ccccc2[nH]1.c15cccc7c1.c16cccnc1.O=C46.N45 |
17401 | O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cccnc1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc6cc1.c18cccnc1.c17ccco1.O=C38.C47=O.N35.N46 |
17402 | O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17nc2ccccc2o1.c15cccc7c1.c16cccnc1.O=C46.N45 |
17404 | CCOC(=O)N1CCCC1C(=O)Nc1ccc(OC)cc1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c17ccc6cc1.N13CCCC18.C23=O.C48=O.CC5.O25.N47.O6C |
17405 | Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c14cccnc1.N34 |
17406 | Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c14ccccn1.N34 |
17407 | COc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)on2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc(S(=O)(=O)CCC3=O)cc1.c15cc(C)on1.CO4.N35 |
17408 | COc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1] | c14ccc2c(c15)C(=O)N7C2.c17ccc6cc1.C3(C)=O.CO4.O5C.N36 |
17410 | Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][Branch1][C][C][C][N][=Ring2][Ring1][Branch1] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.Cc1cc(C)n5n1.C4(C)C |
17412 | CC(C)n1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.c16ccccc1.CC5C.N34.C36 |
17413 | CC(C)n1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.N13CCCCCC1.CC4C |
17416 | COC(=O)NC(Nc1ccccc1F)C(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1F.c17ccccc1.C45C7=O.C23=O.CO2.N34.N56 |
17417 | CCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1 | [C][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][N][=C][Ring2][Ring1][Ring2] | c16ccc7nc1.c17ccc5cc1.N14CCOCC1.CCC6.C45=O |
17418 | Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1] | c17nc2c(c(=O)[nH]c(=O)n2C)n15.Cc1ccc6cc1.C5(C)C.C46.S47 |
17419 | COc1ccc(C(=O)N2CC(C)OC(C)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][S][O][C] | c14ccc6cc15.N13CC(C)OC(C)C1.C36=O.CO4.O5C |
17420 | COc1cc(OC)cc(C(=O)N2CCc3ccccc3C2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][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][Ring2][Ring1][Ring2] | N14CCc2ccccc2C1.c15cc6cc7c1.C47=O.CO5.O6C |
17421 | Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1C | [C][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][C] | N14CCc2ccccc2C1.Cc1ccc5cc1C.C45=O |
17422 | CCOc1ccc(C(=O)N2CC(C)OC(C)C2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][S] | N13CC(C)OC(C)C1.c15ccc6cc1.C36=O.CC4.O45 |
17424 | CN(C)c1ccc(C(=O)Nc2ccccc2F)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | c14ccc6cc1.c15ccccc1F.CN4C.C36=O.N35 |
17426 | COc1ccccc1NC(=O)c1ccc(N(C)C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] | c13ccccc14.c16ccc5cc1.C26=O.N5(C)C.CO3.N24 |
17427 | CCOC(=O)C1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][Ring1][P] | C17CCN4CC1.c18ccc6cc1.C37=O.C48=O.N6(C)C.CC5.O35 |
17428 | CN(C)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P] | c15ccc(F)cc1F.c14ccc6cc1.CN4C.C36=O.N35 |
17429 | CC1CN(C(=O)c2ccc(N(C)C)cc2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][C] | CC1CN3CC(C)O1.c15ccc4cc1.C35=O.N4(C)C |
17430 | CC(=O)Oc1ccc(C(=O)NCc2ccco2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c18ccco1.CC3=O.C47=O.O35.N46.C68 |
17432 | CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][P][O][C][C] | c16ccc%10cc18.c19cccc7c1.C3%10=O.CC4.O46.N39.O7C.O58.C5C |
17433 | CCOc1ccc(C(=O)NCc2ccccn2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][O][C][C] | c16ccc9cc17.c1%10ccccn1.C39=O.CC4.O46.N38.C8%10.O57.C5C |
17434 | CCOc1ccc(C(=O)N2CCc3ccccc32)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][P][O][C][C] | N14CCc2ccccc21.c17ccc9cc18.C49=O.CC5.O57.O68.C6C |
17435 | COc1ccc(CC(=O)N2CC(C)CC(C)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][P][O][C] | c14ccc6cc15.N13CC(C)CC(C)C1.C6C3=O.CO4.O5C |
17437 | COc1ccccc1CC(=O)N1CC(C)CC(C)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2] | N12CC(C)CC(C)C1.c13ccccc14.C4C2=O.CO3 |
17438 | CC(=O)Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][S] | c15ccc6c(Cl)c1.c17ccccc1.CC3=O.C47=O.N35.N46 |
17439 | O=c1c2c(n(Cc3ccccc3)c3cc(Cl)ccc13)OCC2 | [O][=C][C][=C][Branch2][Ring1][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring2][Ring1][C][Ring1][#Branch1][O][C][C][Ring2][Ring1][Ring2] | O=c1c2c(n4c3cc(Cl)ccc13)OCC2.c15ccccc1.C45 |
17440 | Nc1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 | [N][C][=C][C][=C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][C][Ring1][N][=C][Ring1][S] | Nc1ccc2[nH]c4nc2c1.c14ccc(Br)cc1 |
17441 | Cc1nc2n(CC(=O)N3CCCCC3)c3ccccc3n2n1 | [C][C][N][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1] | Cc1nc2n5c3ccccc3n2n1.N14CCCCC1.C5C4=O |
17442 | CC(=O)c1ccc2[nH]c3ccc(C(C)=O)cc3c2c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][Ring1][N][=C][Ring1][S] | c14ccc2[nH]c3ccc5cc3c2c1.CC4=O.C5(C)=O |
17443 | NC(=O)c1ccc(-c2ccc(Br)cc2)o1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][N] | c14ccc(Br)cc1.c13ccc4o1.NC3=O |
17444 | COc1cc(-c2cc(C#N)on2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][N][C][C][=C][Branch1][Ring1][C][#N][O][N][=Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][#C][O][C] | c13cc6cc4c15.c16cc(C#N)on1.CO3.O4C.O5C |
17445 | COc1cc(-c2cc(C(N)=O)on2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][O][N][=Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c13cc7cc4c15.c17cc6on1.C6(N)=O.CO3.O4C.O5C |
17446 | NC(=O)c1cc(-c2ccc(Br)cc2)no1 | [N][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | c14ccc(Br)cc1.c13cc4no1.NC3=O |
17447 | COc1cc(-c2cc(C(N)=O)on2)ccc1OCc1ccccc1 | [C][O][C][=C][C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][O][N][=Ring1][Branch2][=C][C][=C][Ring1][=C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc8ccc15.c18cc6on1.c17ccccc1.C6(N)=O.CO4.O35.C37 |
17448 | CCOC(=O)c1cc(-c2ccc(Cl)cc2)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | c16ccc(Cl)cc1.c15cc6no1.C35=O.CC4.O34 |
17449 | CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][O][Ring1][P] | c19cc5c6c7c1.c18cc9no1.C38=O.CC4.O34.O5C.O6C.O7C |
17450 | CCOC(=O)c1cc(-c2ccc(Br)cc2)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | c16ccc(Br)cc1.c15cc6no1.C35=O.CC4.O34 |
17451 | CCOC(=O)c1cc(-c2cccc(Br)c2)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring1][N] | c16cccc(Br)c1.c15cc6no1.C35=O.CC4.O34 |
17452 | CCOC(=O)c1cc(-c2ccccc2C(F)(F)F)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][O][Ring1][#C] | c17ccccc16.c15cc7no1.C6(F)(F)F.C35=O.CC4.O34 |
17453 | CCOC(=O)c1cc(-c2ccccc2Cl)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][Ring1][N] | c16ccccc1Cl.c15cc6no1.C35=O.CC4.O34 |
17454 | CCOC(=O)c1cc(-c2cccc(Cl)c2)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][O][Ring1][N] | c16cccc(Cl)c1.c15cc6no1.C35=O.CC4.O34 |
17455 | CCOC(=O)c1cc(-c2cc(OC)ccc2OC)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=N][O][Ring1][#C] | c18cc5ccc16.c17cc8no1.C37=O.CC4.O34.O5C.O6C |
17456 | CCOC(=O)c1cc(-c2ccc(OCC)cc2)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][=N][O][Ring1][=C] | c18ccc6cc1.c17cc8no1.C37=O.CC4.O34.O56.C5C |
17457 | COC(=O)c1cc(-c2ccc(OC)c(OC)c2)no1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][O][Ring1][#C] | c17ccc4c5c1.c16cc7no1.C36=O.CO3.O4C.O5C |
17458 | COC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)no1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][O][Ring1][P] | c18cc4c5c6c1.c17cc8no1.C37=O.CO3.O4C.O5C.O6C |
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