ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1935897 | CCS(=O)(=O)N1CCC(Nc2nc3ccccc3c(=O)[nH]2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][C][Ring2][Ring1][C] | c15nc2ccccc2c(=O)[nH]1.N14CCC6CC1.CCS4(=O)=O.N56 |
1935898 | CC(C)C(=O)N1CCC(Nc2nc3ccccc3c(=O)[nH]2)CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][C][Ring2][Ring1][C] | c15nc2ccccc2c(=O)[nH]1.N14CCC6CC1.CC(C)C4=O.N56 |
1935899 | O=c1[nH]c(NCC(O)c2ccccc2F)nc2ccccc12 | [O][=C][NH1][C][Branch1][S][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | O=c1[nH]c4nc2ccccc12.c15ccccc1F.C3C5O.N34 |
1935900 | O=c1[nH]c(NCC(O)c2ccc(F)cc2F)nc2ccccc12 | [O][=C][NH1][C][Branch2][Ring1][Ring1][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | O=c1[nH]c4nc2ccccc12.c15ccc(F)cc1F.C3C5O.N34 |
1935901 | COc1ccc(C(O)CNc2nc3ccccc3c(=O)[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c16nc2ccccc2c(=O)[nH]1.c14ccc7cc1.C7(O)C5.CO4.N56 |
1935903 | CC(C)(C)C(=O)N1CCC(Nc2nc3ccccc3c(=O)[nH]2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][C][Ring2][Ring1][C] | c15nc2ccccc2c(=O)[nH]1.N14CCC6CC1.CC(C)(C)C4=O.N56 |
1935904 | O=C(NCCNc1nc2ccccc2c(=O)[nH]1)c1cccs1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | c16nc2ccccc2c(=O)[nH]1.c17cccs1.O=C37.C4C5.N34.N56 |
1935905 | CCC(CC)C(=O)N1CCC(Nc2nc3ccccc3c(=O)[nH]2)CC1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][C][Ring2][Ring1][C] | c15nc2ccccc2c(=O)[nH]1.CCC(CC)C4=O.N14CCC6CC1.N56 |
1935906 | O=c1[nH]c(NCCNc2cnccn2)nc2ccccc12 | [O][=C][NH1][C][Branch1][=N][N][C][C][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | O=c1[nH]c5nc2ccccc12.c16cnccn1.C3C4.N35.N46 |
1935907 | CC(C)CC(=O)N1CCC(Nc2nc3ccccc3c(=O)[nH]2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][C][Ring2][Ring1][C] | c15nc2ccccc2c(=O)[nH]1.N14CCC6CC1.CC(C)CC4=O.N56 |
1935908 | Cc1ccc(F)cc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1 | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=C] | Cc1ccc(F)cc16.N13CCC5CC1.c17ccsc1.C36=O.C47=O.N45 |
1935909 | O=C(Nc1ccncc1)N(Cc1ccccc1F)C1CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][Ring1][Ring1] | c17ccccc1F.c15ccncc1.O=C23.N346.C16CC1.N25.C47 |
1935910 | CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccncc1)CC2 | [C][C][O][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c17cc2c(cc18)CN3CC2.c19ccncc1.C34=O.CC5.O57.O68.C6C.N49 |
1935911 | O=C(Nc1ccncc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | N14CCCN5CC1.c17ccc(F)cc1.c16ccncc1.O=C34.C57=O.N36 |
1935912 | O=C(Nc1ccncc1)N1CCCN(C(=O)c2ccccc2F)CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][S] | N14CCCN5CC1.c17ccccc1F.c16ccncc1.O=C34.C57=O.N36 |
1935913 | O=C(Nc1ccncc1)N1CCCN(C(=O)c2cccc(F)c2)CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][S] | N14CCCN5CC1.c17cccc(F)c1.c16ccncc1.O=C34.C57=O.N36 |
1935916 | CCN(C(=O)Nc1cccc(N2CCNC2=O)c1)C1CCCC1 | [C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][=C][Ring1][N][C][C][C][C][C][Ring1][Branch1] | c16cccc8c1.N18CCNC1=O.C17CCCC1.N357.C34=O.CC5.N46 |
1935917 | O=C(Nc1ccncc1)N1CCCCCC1c1ccccc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCCCCC15.c14ccncc1.c15ccccc1.O=C23.N24 |
1935919 | COC(=O)c1cccc(NC(=O)NC(C)Cc2ccc(O)cc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c18cccc7c1.c19ccc(O)cc1.C6(C)C9.C38=O.C45=O.CO3.N47.N56 |
1935922 | O=S1(=O)N=C(N2CCC(Oc3ccccc3)CC2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | O=S1(=O)N=C(N2CCC4CC2)c2ccccc21.c15ccccc1.O45 |
1935925 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | S7(=O)(=O)c1ccc8cc1.c19cn[nH]c1.N567.C34=O.CC5.C6C.N38.N49 |
1935926 | CN(C)S(=O)(=O)c1cc(NC(=O)Nc2cn[nH]c2)ccc1Cl | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][C][=C][Ring1][#C][Cl] | S5(=O)(=O)c1cc6ccc1Cl.c17cn[nH]c1.CN5C.C34=O.N36.N47 |
1935927 | O=C(Nc1cn[nH]c1)Nc1ccc(F)c(F)c1F | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] | c15ccc(F)c(F)c1F.c14cn[nH]c1.O=C23.N24.N35 |
1935928 | O=C(Nc1cn[nH]c1)Nc1cccc(Cl)c1Cl | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c15cccc(Cl)c1Cl.c14cn[nH]c1.O=C23.N24.N35 |
1935929 | COc1cc(NC(=O)NC(C)Cc2ccc(O)cc2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c15cc6cc8c1.c19ccc(O)cc1.C7(C)C9.C34=O.CO5.N38.N47.O6C |
1935930 | Cc1ccc(NC(=O)Nc2cn[nH]c2)cc1S(=O)(=O)N(C)C | [C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1ccc6cc1S5(=O)=O.c17cn[nH]c1.C34=O.N5(C)C.N36.N47 |
1935933 | CCC(C)NC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c17ccc5c2ncccc12.CCC6C.C34=O.N36.N47.O5C |
1935934 | COCCCNC(=O)Nc1ccc(OC)c2ncccc12 | [C][O][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c18ccc6c2ncccc12.C5CC7.C34=O.CO5.N37.N48.O6C |
1935936 | C=CCNC(=O)Nc1ccc(OC)c2ncccc12 | [C][=C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c17ccc5c2ncccc12.C=CC6.C34=O.N36.N47.O5C |
1935938 | COCC(O)CN(C)C(=O)Nc1nc(-c2cccnc2)cs1 | [C][O][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O] | c17nc8cs1.c18cccnc1.C5C(O)C6.N36C.C34=O.CO5.N47 |
1935939 | COc1ccc(NC(=O)NCC(C)C)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring2][Ring1][C][Ring1][=Branch1] | c15ccc7c2cccnc12.C6C(C)C.C34=O.CO5.N37.N46 |
1935940 | CCC(CC)NC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c17ccc5c2ncccc12.CCC6CC.C34=O.N36.N47.O5C |
1935941 | COc1cc(OC)c(NC(=O)Nc2cn[nH]c2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][P][Cl] | c15cc6c7cc1Cl.c18cn[nH]c1.C34=O.CO5.O6C.N37.N48 |
1935942 | CCOCCCNC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][O][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c19ccc7c2ncccc12.C6CC8.C34=O.CC5.O56.N38.N49.O7C |
1935943 | CCCNC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c17ccc5c2ncccc12.CCC6.C34=O.N36.N47.O5C |
1935944 | COCC(C)NC(=O)Nc1ccc(OC)c2ncccc12 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c18ccc6c2ncccc12.C5C7C.C34=O.CO5.N37.N48.O6C |
1935945 | COc1ccc(NC(=O)NCCCOC(C)C)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c17ccc9c2cccnc12.C8CC5.C34=O.C6(C)C.CO7.N39.N48.O56 |
1935946 | COc1ccc(NC(=O)NC(C)C(C)C)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15ccc7c2cccnc12.C6(C)C(C)C.C34=O.CO5.N37.N46 |
1935947 | COc1ccc(NC(=O)NCCNC(C)=O)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][N][C][Branch1][C][C][=O][C][=C][C][=C][N][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c16ccc9c2cccnc12.C34=O.C7C8.C5(C)=O.CO6.N39.N47.N58 |
1935948 | COc1cc(NC(=O)Nc2cn[nH]c2)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Cl] | c15cc7c6cc1Cl.c18cn[nH]c1.C34=O.CO5.N37.N48.O6C |
1935949 | O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)Nc1cn[nH]c1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][F][C][=C][Ring1][N][N][C][C][=N][NH1][C][=Ring1][Branch1] | c14ccc(S(=O)(=O)C(F)F)cc1.c15cn[nH]c1.O=C23.N24.N35 |
1935950 | CCOc1ccc(OCC)c(NC(=O)Nc2cn[nH]c2)c1 | [C][C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring2][Ring1][C] | c17ccc8c9c1.c1%10cn[nH]c1.C34=O.CC5.O57.O68.C6C.N39.N4%10 |
1935951 | COc1ccc(NC(=O)NCCNC(=O)C(C)C)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | c16ccc9c2cccnc12.C5(=O)C(C)C.C34=O.C7C8.CO6.N39.N47.N58 |
1935952 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Nc1cn[nH]c1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1] | c14ccc7cc15.c16cn[nH]c1.C7(F)(F)F.CN4C.C23=O.N25.N36 |
1935953 | CCNC(=O)CNC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c19ccc6c2ncccc12.C3(=O)C8.C45=O.CC7.N37.N48.N59.O6C |
1935954 | CCCNC(=O)CNC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c19ccc6c2ncccc12.C3(=O)C8.CCC7.C45=O.N37.N48.N59.O6C |
1935955 | Cn1cc(NC(=O)NCCNC(=O)c2ccccc2O)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring2][Ring1][Branch1] | c19ccccc1O.Cn1cc8cn1.C34=O.C6C7.C59=O.N38.N46.N57 |
1935956 | Cn1cc(NC(=O)NCCNC(=O)c2ccc(F)cc2)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch1] | c19ccc(F)cc1.Cn1cc8cn1.C34=O.C6C7.C59=O.N38.N46.N57 |
1935957 | COc1ccc(NC(C)=O)cc1NC(=O)Nc1cn[nH]c1 | [C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1] | c15ccc6cc17.c18cn[nH]c1.C2(C)=O.C34=O.CO5.N26.N37.N48 |
1935958 | CNC(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | c18ccc6cc1.c17cn[nH]c1.C38=O.C45=O.CN3.N46.N57 |
1935959 | CC(C)NS(=O)(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | S6(=O)(=O)c1ccc7cc1.c18cn[nH]c1.CC5C.C34=O.N56.N37.N48 |
1935960 | CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)Nc2cn[nH]c2)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][#C] | S6(=O)(=O)c1cccc7c1.c18cn[nH]c1.CC5(C)C.C34=O.N56.N37.N48 |
1935962 | COCC(O)CN(C)C(=O)Nc1ccc(-c2csc(C)n2)cc1 | [C][O][C][C][Branch1][C][O][C][N][Branch1][C][C][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] | c17ccc8cc1.c18csc(C)n1.C5C(O)C6.N36C.C34=O.CO5.N47 |
1935963 | O=C(Nc1cn[nH]c1)Nc1cc2c(cc1Cl)OCCCO2 | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][C][O][Ring1][#Branch2] | c16cc2c(cc1Cl)OCCCO2.c15cn[nH]c1.O=C34.N35.N46 |
1935965 | CS(=O)(=O)c1ccccc1NC(=O)Nc1cn[nH]c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1] | CS(=O)(=O)c1ccccc14.c15cn[nH]c1.C23=O.N24.N35 |
1935966 | O=C(Nc1cn[nH]c1)Nc1ccccc1SCC(F)(F)F | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][Branch1][C][F][Branch1][C][F][F] | c16ccccc17.c15cn[nH]c1.C4C(F)(F)F.O=C23.N25.N36.S47 |
1935967 | O=C(Nc1cn[nH]c1)Nc1cc(Cl)ccc1OCC(F)(F)F | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F] | c17cc(Cl)ccc15.c16cn[nH]c1.C4C(F)(F)F.O=C23.N26.N37.O45 |
1935968 | COc1ccc(NC(=O)NCCC(=O)NC(C)C)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | c16ccc9c2cccnc12.C7CC5=O.C34=O.C8(C)C.CO6.N39.N47.N58 |
1935969 | CC(=O)Nc1cc(NC(=O)Nc2cn[nH]c2)ccc1F | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][C][=C][Ring1][#C][F] | c16cc7ccc1F.c18cn[nH]c1.CC3=O.C45=O.N36.N47.N58 |
1935970 | O=C(Nc1cn[nH]c1)Nc1cccc(OC(F)(F)F)c1 | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | c16cccc4c1.c15cn[nH]c1.O4C(F)(F)F.O=C23.N25.N36 |
1935971 | Cc1ccc(NC(=O)Nc2cn[nH]c2)cc1Br | [C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][Br] | Cc1ccc5cc1Br.c16cn[nH]c1.C34=O.N35.N46 |
1935972 | CCOCCNC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c19ccc7c2ncccc12.C6C8.C34=O.CC5.O56.N38.N49.O7C |
1935974 | Cc1nc2ccc(NC(=O)Nc3cn[nH]c3)cc2o1 | [C][C][=N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][O][Ring2][Ring1][C] | Cc1nc2ccc6cc2o1.c17cn[nH]c1.C45=O.N46.N57 |
1935975 | CC(=O)Nc1cccc(NC(=O)NC(C)Cc2ccc(O)cc2)c1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][C] | c17cccc8c1C.c19ccc(O)cc1.C6(C)C9.CC3=O.C45=O.N37.N48.N56 |
1935976 | CC(=O)Nc1cccc(NC(=O)N(C)CCc2ccc(F)cc2)c1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][C] | c17cccc8c1C.c19ccc(F)cc1.CC3=O.C45=O.N56C.C6C9.N37.N48 |
1935977 | CC(=O)Nc1cccc(NC(=O)Nc2cn[nH]c2)c1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][#C][C] | c16cccc7c1C.c18cn[nH]c1.CC3=O.C45=O.N36.N47.N58 |
1935978 | CC(=O)Nc1ccc(F)c(NC(=O)Nc2cn[nH]c2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][S] | c16ccc(F)c7c1.c18cn[nH]c1.CC3=O.C45=O.N36.N47.N58 |
1935979 | O=C1CCc2cc(NC(=O)NC3CCc4c(F)cccc43)ccc2N1 | [O][=C][C][C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2] | O=C1CCc2cc7ccc2N1.N6C1CCc2c(F)cccc21.C56=O.N57 |
1935980 | COc1ccc(NC(=O)NCCCn2cccn2)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | c15ccc7c2cccnc12.n18cccn1.C6CC8.C34=O.CO5.N37.N46 |
1935981 | CCC(=O)Nc1cccc(NC(=O)Nc2cn[nH]c2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][#C] | c16cccc7c1.c18cn[nH]c1.CCC3=O.C45=O.N36.N47.N58 |
1935982 | CCN(CC)C(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1Cl | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][Cl] | c1%10ccc8cc1Cl.c19cn[nH]c1.N367.C3%10=O.C45=O.CC6.C7C.N48.N59 |
1935983 | CCN(CC)C(=O)COc1cccc(NC(=O)Nc2cn[nH]c2)c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][#C] | c17cccc%10c1.c1%11cn[nH]c1.C3(=O)C6.N389.C45=O.CC8.C9C.O67.N4%10.N5%11 |
1935984 | CNC(=O)Cc1ccc(NC(=O)NC(C)Cc2ccc(O)cc2)cc1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c19ccc(O)cc1.C3(=O)C8.C6(C)C9.C45=O.CN3.N47.N56 |
1935985 | CNC(=O)Cc1ccc(NC(=O)N(C)CCc2ccc(F)cc2)cc1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c19ccc(F)cc1.C3(=O)C8.C45=O.N56C.C6C9.CN3.N47 |
1935986 | CNC(=O)Cc1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | c18ccc6cc1.c17cn[nH]c1.C3(=O)C8.C45=O.CN3.N46.N57 |
1935987 | CCCCOc1ccc(OC)cc1NC(=O)Nc1cn[nH]c1 | [C][C][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1] | c15ccc6cc17.c18cn[nH]c1.CCCC4.C23=O.O45.O6C.N27.N38 |
1935988 | COc1ccc(NC(=O)Nc2cn[nH]c2)cc1OCC(F)(F)F | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][O][C][C][Branch1][C][F][Branch1][C][F][F] | c16ccc8cc17.c19cn[nH]c1.C5C(F)(F)F.C34=O.CO6.N38.N49.O57 |
1935989 | CN(C)C(=O)c1ccc(Cl)c(NC(=O)Nc2cn[nH]c2)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][S] | c18ccc(Cl)c6c1.c17cn[nH]c1.CN3C.C38=O.C45=O.N46.N57 |
1935990 | CCN(Cc1ccccc1NC(=O)Nc1cn[nH]c1)C(C)=O | [C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][C][=O] | c19ccccc17.c18cn[nH]c1.N456.C23=O.C4(C)=O.CC5.C69.N27.N38 |
1935991 | CCCNC(=O)c1cccc(NC(=O)Nc2cn[nH]c2)c1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][#C] | c19cccc7c1.c18cn[nH]c1.CCC6.C39=O.C45=O.N36.N47.N58 |
1935993 | CCNC(=O)c1ccc(C)c(NC(=O)Nc2cn[nH]c2)c1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][S] | c19ccc(C)c7c1.c18cn[nH]c1.C39=O.C45=O.CC6.N36.N47.N58 |
1935994 | COC(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | c18ccc6cc1.c17cn[nH]c1.C38=O.C45=O.CO3.N46.N57 |
1935996 | COC(=O)c1cccc(NC(=O)Nc2cn[nH]c2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][#C] | c18cccc6c1.c17cn[nH]c1.C38=O.C45=O.CO3.N46.N57 |
1935997 | COC(=O)c1ccc(F)c(NC(=O)Nc2cn[nH]c2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][S] | c18ccc(F)c6c1.c17cn[nH]c1.C38=O.C45=O.CO3.N46.N57 |
1935998 | COC(=O)c1cc(NC(=O)Nc2cn[nH]c2)c(F)cc1F | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Branch1][C][F][C][=C][Ring1][S][F] | c18cc6c(F)cc1F.c17cn[nH]c1.C38=O.C45=O.CO3.N46.N57 |
1935999 | COc1cc(C)ccc1Oc1ccc(NC(=O)Nc2cn[nH]c2)cn1 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=N][Ring1][#C] | c16cc(C)ccc17.c15ccc8cn1.c19cn[nH]c1.C34=O.CO6.O57.N38.N49 |
1936000 | O=C(Nc1cn[nH]c1)Nc1ccc(OC(F)F)cc1OC(F)F | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][Branch1][C][F][F] | c17ccc4cc15.c16cn[nH]c1.O4C(F)F.O5C(F)F.O=C23.N26.N37 |
1936001 | Cc1ccc(Oc2ccc(NC(=O)Nc3cn[nH]c3)cn2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc7cc1C.c16ccc8cn1.c19cn[nH]c1.C45=O.O67.N48.N59 |
1936002 | Cc1ccc(Oc2ccc(NC(=O)Nc3cn[nH]c3)cn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c16ccc8cn1.c19cn[nH]c1.C45=O.O67.N48.N59 |
1936003 | COc1ccc(NC(=O)NC2CCCc3occc32)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][C][=C][C][=C][N][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | c16ccc7c2cccnc12.N5C1CCCc2occc21.C45=O.CO6.N47 |
1936004 | O=C(NC1CCCc2occc21)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][#C][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | N3C1CCCc2occc21.c18ccco1.C17CCCO1.O=C34.N456.C58.C67 |
1936005 | O=C(Nc1cn[nH]c1)Nc1ccc(F)cc1Br | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br] | c15ccc(F)cc1Br.c14cn[nH]c1.O=C23.N24.N35 |
1936006 | CNC(=O)c1ccc(Cl)c(NC(=O)Nc2cn[nH]c2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][S] | c18ccc(Cl)c6c1.c17cn[nH]c1.C38=O.C45=O.CN3.N46.N57 |
1936007 | C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][=C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | S6(=O)(=O)c1ccc7cc1.c18cn[nH]c1.C=CC5.N56C.C34=O.N37.N48 |
1936008 | COc1ccc(NC(=O)NCCCC(=O)NC2CC2)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][N][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | c16ccc8c2cccnc12.C7CCC5=O.C34=O.C19CC1.CO6.N38.N47.N59 |
1936009 | Cc1occc1CN(C)C(=O)NC(C)c1ccc2c(c1)NC(=O)CO2 | [C][C][O][C][=C][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][Branch2] | c18ccc2c(c1)NC(=O)CO2.Cc1occc17.N35C.C34=O.C68C.C57.N46 |
1936010 | CN(C)c1c(Cl)cccc1NC(=O)Nc1cn[nH]c1 | [C][N][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1] | c14c5cccc1Cl.c16cn[nH]c1.CN4C.C23=O.N25.N36 |
1936011 | CCC(=O)Nc1ccc(Cl)c(NC(=O)Nc2cn[nH]c2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][S] | c16ccc(Cl)c7c1.c18cn[nH]c1.CCC3=O.C45=O.N36.N47.N58 |
1936012 | Cc1occc1CN(C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N] | c16ccc9cc1.Cc1occc18.N17CCCC1=O.N35C.C34=O.C58.N46.C79 |
1936013 | CC(C)N(C)c1ccc(NC(=O)Nc2cn[nH]c2)cc1F | [C][C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][F] | c16ccc7cc1F.c18cn[nH]c1.CC5C.N56C.C34=O.N37.N48 |
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