ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
14004 | CCOC(=O)c1sc2[nH]cc(C(=O)OCC)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][NH1][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][C][=Ring1][N][C][=Ring1][#C][C] | c17sc2[nH]cc8c(=O)c2c1C.C37=O.C48=O.CC5.O35.O46.C6C |
14005 | Cc1cc(N)n2nc(-c3ccc(Cl)cc3)cc2n1 | [C][C][C][=C][Branch1][C][N][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][N][=Ring1][P] | Cc1cc(N)n2nc4cc2n1.c14ccc(Cl)cc1 |
14006 | COc1ccc(-c2cc3nc(C)cc(N)n3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][N][N][Ring1][Branch2][N][=Ring1][O][C][=C][Ring1][P] | c15cc2nc(C)cc(N)n2n1.c14ccc5cc1.CO4 |
14007 | O=S1(=O)N=C(Nc2cc(Cl)ccc2Cl)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=S1(=O)N=C(N3)c2ccccc21.c13cc(Cl)ccc1Cl |
14012 | O=S1(=O)N=C(Nc2ccc(Br)cc2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=S1(=O)N=C(N3)c2ccccc21.c13ccc(Br)cc1 |
14015 | O=C(Nc1ccncc1)c1cc2cc(Br)ccc2oc1=O | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Br)ccc2oc1=O.c14ccncc1.O=C35.N34 |
14017 | COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][#C] | C3(=O)C1=C(C)N4C(=O)C1.c15ccc(C)cc1.CO3.C45 |
14018 | CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S4(=O)(=O)c1ccc(C)cc1.C15CCN4CC1.C35=O.CN3 |
14019 | CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 | [C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(C)cc1.C16CCN5CC1.C36=O.CC4.N34 |
14020 | CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(Cl)cc1.C16CCN5CC1.C36=O.CC4.N34 |
14021 | CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(Cl)cc1.C16CCN5CC1.CC4C.C36=O.N34 |
14022 | CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(F)cc1.C16CCN5CC1.CC4(C)C.C36=O.N34 |
14024 | CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] | S6(=O)(=O)c1ccc4c5c1.C17CCN6CC1.C37=O.CN3.O4C.O5C |
14026 | COc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | c15ccccc16.C17CCN4CC1.c18ccccc1.C37=O.C48=O.CO5.N36 |
14027 | O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2ccccc2)CC1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | c15ccc(F)cc1F.C16CCN4CC1.c17ccccc1.O=C36.C47=O.N35 |
14028 | CNC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][S] | C16CCN4CC1.c17ccc5cc1.C36=O.C47=O.CN3.O5C |
14029 | CC(C)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17ccc(F)cc1.CC(C)C5.C36=O.C47=O.N35 |
14030 | Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | Cc1ccccc15.C16CCN4CC1.c17ccc(F)cc1.C36=O.C47=O.N35 |
14031 | Cc1nnc(SCC(=O)NC2CCCCC2)s1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][S] | Cc1nnc6s1.C15CCCCC1.C4C3=O.S46.N35 |
14032 | Cc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][Ring2][Ring1][C] | Cc1ccc2c(c1)sc1nc(=O)n4c(=O)n12.c14ccccc1 |
14033 | COc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][Ring2][Ring1][C] | c14ccc2c(c1)sc1nc(=O)n5c(=O)n12.c15ccccc1.CO4 |
14034 | CC(C)Cc1ccc2c(n1)sc1c(N)ncnc12 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][S][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][O] | c13ccc2c(n1)sc1c(N)ncnc12.CC(C)C3 |
14035 | O=C(Nc1ccccn1)C1CC(=O)N(c2ccc(F)cc2)C1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(F)cc1.c14ccccn1.O=C35.N34 |
14036 | COc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | C17CC(=O)n2cnnc2S1.c15cccc6c1.C47=O.CO5.N46 |
14037 | CCOc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N6C1=NS(=O)(=O)c2ccccc21.c15ccc6cc1.CC4.O45 |
14038 | O=S1(=O)N=C(Nc2cccc3ccccc23)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | O=S1(=O)N=C(N4)c2ccccc21.c14cccc2ccccc12 |
14039 | CN1C(c2ccccc2)=CC(c2ccccc2)n2nnnc21 | [C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][Ring2][Ring1][Branch1] | CN1C(c2ccccc2)=CC(c2ccccc2)n2nnnc21 |
14040 | Cc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][P] | c14ccc(Br)cc1.Cc1ccc5o1.C5CC3=O.N34 |
14041 | Cc1ccc(C(=O)NCC(O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16ccccc1.C4C6O.C35=O.N34 |
14042 | CCOc1ccc(NC(=O)CCC2CC(C)(C)OC2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1] | C17CC(C)(C)OC1=O.c15ccc6cc1.C3(=O)CC7.CC4.O45.N36 |
14043 | CCc1ccc(N2CC(C(=O)Nc3cccc(C)n3)CC2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | c17ccc8cc1.N18CC6CC1=O.c15cccc(C)n1.C46=O.CC7.N45 |
14045 | CC1(C)CC(CCC(=O)Nc2ccccc2Cl)C(=O)O1 | [C][C][Branch1][C][C][C][C][Branch1][P][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1] | CC1(C)CC5C(=O)O1.c14ccccc1Cl.C5CC3=O.N34 |
14046 | c1ccc(CNc2nnc(-c3cccnc3)s2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c1ccc6cc1.c15nnc7s1.c17cccnc1.C46.N45 |
14047 | COC(=O)NC1c2ccccc2Oc2ccccc21 | [C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | N4C1c2ccccc2Oc2ccccc21.C34=O.CO3 |
14048 | Cn1c(SCC(=O)Nc2nccs2)nc2ccccc21 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1c6nc2ccccc21.c15nccs1.C4C3=O.S46.N35 |
14050 | CCCN(CCC)C(=O)Cn1c(=O)sc2ccccc21 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(=O)sc2ccccc21.C3(=O)C6.CCC4.N345.C5CC |
14051 | CC1(C)Cc2c(sc3ncn4cnnc4c23)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch1][P][S][C][N][=C][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][N][=Ring1][=Branch2][C][O][Ring1][P] | CC1(C)Cc2c(sc3ncn4cnnc4c23)CO1 |
14052 | CCN1CC(=O)Nc2c(sc3nc(C)cc(C)c23)C1=O | [C][C][N][C][C][=Branch1][C][=O][N][C][=C][Branch2][Ring1][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][O][Ring1][Branch2][C][Ring1][P][=O] | N14CC(=O)Nc2c(sc3nc(C)cc(C)c23)C1=O.CC4 |
14053 | CC1CCCCN1S(=O)(=O)c1cccc2nonc12 | [C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | S3(=O)(=O)c1cccc2nonc12.CC1CCCCN13 |
14055 | O=C(C1COc2ccccc2O1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | C15COc2ccccc2O1.N13CCN4CC1.c14ccccc1.O=C35 |
14056 | COc1ccccc1CNC(=O)c1ccc(Br)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccccc16.c15ccc(Br)cc1.C25=O.CO3.C46.N24 |
14058 | CCOC(=O)c1cnc(-c2ccccc2)nc1N(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N][Branch1][C][C][C] | c16cnc7nc15.c17ccccc1.C36=O.N5(C)C.CC4.O34 |
14059 | Cc1cc(N2CCOCC2)nc(-c2ccc(Br)cc2)n1 | [C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc3nc4n1.c14ccc(Br)cc1.N13CCOCC1 |
14060 | Cc1cc2ncn(S(=O)(=O)c3ccc(F)cc3)c2cc1C | [C][C][=C][C][N][=C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][C] | Cc1cc2ncn(S(=O)(=O)c3ccc(F)cc3)c2cc1C |
14062 | NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 | [N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][S][N][=Ring2][Ring1][Ring1] | c14cc2nc6cc5n2n1.c16ccccc1.C5(F)(F)F.NC4=O |
14063 | CC1CCCN(S(=O)(=O)c2cccc3nonc23)C1 | [C][C][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][Ring2][Ring1][C] | S4(=O)(=O)c1cccc2nonc12.CC1CCCN4C1 |
14064 | CC1CCN(S(=O)(=O)c2cccc3nonc23)CC1 | [C][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][C][Ring2][Ring1][C] | S4(=O)(=O)c1cccc2nonc12.CC1CCN4CC1 |
14065 | COc1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | c14ccccc15.C167CCOCC1.c17ccccc1.C36=O.CO4.N35 |
14066 | O=C(Nc1ccncc1)C1(c2ccccc2)CCOCC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C156CCOCC1.c14ccncc1.c16ccccc1.O=C35.N34 |
14067 | COc1ccc(NC(=O)c2ccccc2F)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S][O][C] | c14ccc6cc15.c17ccccc1F.C37=O.CO4.N36.O5C |
14069 | COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c17ccc5c6c1.c14ccc8cc1.C38=O.CO4.N37.O5C.O6C |
14070 | Cc1cc(C)n(-c2cc(N3CCOCC3)nc(C)n2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][=N][N][=Ring2][Ring1][Ring1] | c15cc4nc(C)n1.Cc1cc(C)n5n1.N14CCOCC1 |
14071 | CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c17ccc8cc1.c19ccccc1.c16ccccn1.CC3=O.C48=O.N456.N37.C59 |
14072 | CCOC(=O)c1cnc(-c2ccccc2)nc1NC | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N][C] | c16cnc7nc15.c17ccccc1.C36=O.CC4.O34.N5C |
14073 | COc1ccc(CC(=O)NCC2CCCO2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][S][O][C] | c14ccc8cc15.C17CCCO1.C8C3=O.CO4.N36.C67.O5C |
14074 | Cc1nnc(SCC(=O)Nc2ncccn2)s1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][S][Ring1][S] | Cc1nnc6s1.c15ncccn1.C4C3=O.S46.N35 |
14075 | Cc1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Ring1] | c16ccc(F)cc1F.Cc1ccc5cc1.C4C3=O.O45.N36 |
14076 | COc1ccc(NC(=O)c2ccc(Br)cc2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc6cc15.c17ccc(Br)cc1.C37=O.CO4.N36.O5C |
14077 | Cc1cccc(=NS(=O)(=O)c2ccc3ccccc3c2)[nH]1 | [C][C][=C][C][=C][C][=Branch2][Ring1][#Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][NH1][Ring2][Ring1][Ring2] | Cc1cccc(=NS(=O)(=O)c2ccc3ccccc3c2)[nH]1 |
14080 | COc1cccc(C(=O)Nc2cccc3cccnc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c16cccc2cccnc12.c15cccc7c1.C47=O.CO5.N46 |
14081 | COc1ccc(C2(CC#N)CCOC(C)(C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][Ring2][C][C][#N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][C][=C][Ring1][P] | C145CCOC(C)(C)C1.c13ccc5cc1.C4C#N.CO3 |
14082 | O=C1CCCc2c1nc(-c1cccc(Cl)c1)n2O | [O][=C][C][C][C][C][=C][Ring1][=Branch1][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][N][O] | O=C1CCCc2c1nc3n2O.c13cccc(Cl)c1 |
14083 | COc1ccc(-c2nc3c(n2O)CCCC3=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][=C][Branch1][Branch1][N][Ring1][Branch1][O][C][C][C][C][Ring1][Branch2][=O][C][=C][Ring1][P] | c15nc2c(n1O)CCCC2=O.c14ccc5cc1.CO4 |
14084 | c1ccc(-c2nnc(N3CCOCC3)nc2-c2ccccc2)cc1 | [C][=C][C][=C][Branch2][Ring1][O][C][=N][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | c15nnc4nc16.c1ccc5cc1.N14CCOCC1.c16ccccc1 |
14085 | Cc1cc(-n2nc(C)cc2C)nc(-c2ccccc2)n1 | [C][C][=C][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc3nc4n1.n13nc(C)cc1C.c14ccccc1 |
14087 | COc1ccc2oc(=O)c(C(=O)Nc3cc(C)ccn3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2oc(=O)c7cc2c1.c16cc(C)ccn1.C47=O.CO5.N46 |
14088 | Cc1ccc(C2CC(=O)c3cnc(N)nc3C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][Ring1][N][C][=C][Ring2][Ring1][C] | C14CC(=O)c2cnc(N)nc2C1.Cc1ccc4cc1 |
14089 | CCC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O | [C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][=O] | c14ncc2c(n1)CC5CC2=O.c15ccco1.CCC3=O.N34 |
14090 | NC1=NC(Cl)=NC2C1N=CN2Cc1ccccc1 | [N][C][=N][C][Branch1][C][Cl][=N][C][C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | NC1=NC(Cl)=NC2C1N=CN23.c14ccccc1.C34 |
14091 | Cc1cc(C)n(S(=O)(=O)Cc2ccccc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][S] | Cc1cc(C)n(S(=O)(=O)C3)n1.c13ccccc1 |
14093 | Cc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1 | [C][C][=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][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1 |
14094 | Cc1ccc(S(=O)(=O)Nc2ccccn2)c(C)c1 | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P] | Cc1ccc(S3(=O)=O)c(C)c1.c14ccccn1.N34 |
14096 | CCOc1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1 | [C][C][O][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][=C][Ring1][P] | c14ccc(S5(=O)=O)cc1.N15C(C)CCCC1C.CC3.O34 |
14097 | CSc1cnn(Cc2ccccc2)c(=O)c1SC | [C][S][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][S][C] | c15cnn3c(=O)c16.c14ccccc1.CS5.C34.S6C |
14099 | N#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1 | [N][#C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | N#Cc1nc3nc4n1.N13CCOCC1.N14CCOCC1 |
14100 | CCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2] | S5(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.CC4.N45 |
14101 | CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c14ccc(S5(=O)=O)cc1.N15CCCCC1.CC3.O34 |
14102 | CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 | [C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c14ccc(S3(=O)=O)cc1.N13CCCCC1.CC4 |
14103 | CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [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][Ring1][#C] | c14ccc(S3(=O)=O)cc1.N13CCOCC1.CC4 |
14104 | CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c14ccc(S5(=O)=O)cc1.N15CCOCC1.CC3.O34 |
14105 | CCn1cc(Br)c(C(=O)Nc2ccc(F)c(Cl)c2)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][P] | c14ccc(F)c(Cl)c1.n16cc(Br)c5n1.C35=O.CC6.N34 |
14107 | COc1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1 | [C][O][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][=C][Ring1][P] | c13ccc(S4(=O)=O)cc1.N14C(C)CCCC1C.CO3 |
14108 | COc1ccc2c(c1)C1(NC(=O)c3ccccc3N1)C(=O)N2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=Branch1][C][=O][N][Ring1][P] | c14ccc2c(c1)C1(NC(=O)c3ccccc3N1)C(=O)N2.CO4 |
14112 | COc1ccc(N2CC(C(=O)Nc3cc(C)ccn3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.N18CC7CC1=O.c16cc(C)ccn1.C47=O.CO5.N46 |
14113 | CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][Branch1][C][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | CC(C)(O)C#Cc1ccc6cc1.c15ccc2c(c1)OCO2.C46=O.N45 |
14114 | O=S(=O)(c1ccc2c(c1)Cc1ccccc1-2)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | O=S3(=O)c1ccc2c(c1)Cc1ccccc1-2.N13CCOCC1 |
14115 | CC(C)N1CC(C(=O)Nc2ccc(Br)cc2)CC1=O | [C][C][Branch1][C][C][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=O] | N16CC5CC1=O.c14ccc(Br)cc1.CC6C.C35=O.N34 |
14117 | CC(=O)Nc1ccc(Oc2nnc(C)c3ccccc23)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=N][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15nnc(C)c2ccccc12.c17ccc6cc1.CC4=O.N47.O56 |
14119 | CCOC(=O)c1c(C)sc2c3c([nH]c12)CCCC3 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][S][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][Branch2] | c16c(C)sc2c3c([nH]c12)CCCC3.C46=O.CC5.O45 |
14121 | N#CCc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [N][#C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N4C1=NS(=O)(=O)c2ccccc21.c15ccc4cc1.N#CC5 |
14122 | COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(OC)c2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c14cc5cc9c1.c18ccc6c7c1.C39=O.CO4.O5C.N38.O6C.O7C |
14123 | Cc1cc(OCC(=O)N2CCCC2)ccc1Br | [C][C][=C][C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][Br] | Cc1cc5ccc1Br.N13CCCC1.C4C3=O.O45 |
14124 | CCOC(=O)c1nc(N)c(=O)n(-c2ccc(C)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=Ring1][#C] | c15nc(N)c(=O)n6n1.c16ccc(C)cc1.C35=O.CC4.O34 |
14125 | COc1ccc(NC(=O)c2ccccc2Cl)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][S][O][C] | c14ccc6cc15.c17ccccc1Cl.C37=O.CO4.N36.O5C |
14127 | Cc1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 | [C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Cc1nn3c(=O)c2ccccc12.c13ccc(Cl)cc1 |
14130 | N#Cc1c2n(c3c(=O)n(Cc4ccccc4)cnc13)CCCC2 | [N][#C][C][=C][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Ring1][P][=Ring1][=C][C][C][C][C][Ring2][Ring1][Ring2] | N#Cc1c2n(c3c(=O)n5cnc13)CCCC2.c16ccccc1.C56 |
14132 | COCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21 | [C][O][C][N][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n15c6nc2ccccc21.c16ccc3c4c1.COC5.O3C.O4C |
14133 | OCc1nc2ccccc2n1CCc1ccccc1 | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2ccccc2n13.c15ccccc1.C3C5.OC4 |
14134 | Cc1ccc(Cn2c(CO)nc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | n14c5nc2ccccc21.Cc1ccc6cc1.C46.C5O |
14135 | OCc1nc2ccccc2n1Cc1ccccc1Cl | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14nc2ccccc2n13.c15ccccc1Cl.OC4.C35 |
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