ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1924920 | Cc1nc(N(C)C)nc(N2CCn3c(n[nH]c3=O)C2)n1 | [C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][#Branch1][=N][NH1][C][Ring1][Branch1][=O][C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | N15CCn2c(n[nH]c2=O)C1.Cc1nc4nc5n1.N4(C)C |
1924921 | CN(CCOc1ccccc1F)c1cccnc1C#N | [C][N][Branch1][=N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][N][=C][Ring1][=Branch1][C][#N] | c15cccnc1C#N.c13ccccc1F.CN45.C4C2.O23 |
1924922 | Cc1cc(Cn2ccc(C(C)O)n2)c2ccccc2n1 | [C][C][=C][C][Branch1][S][C][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][Ring1][Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc5c2ccccc2n1.n13ccc4n1.C4(C)O.C35 |
1924923 | OCCOc1ccc(OCCc2ccc3c(c2)CCO3)cc1 | [O][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18ccc2c(c1)CCO2.c16ccc7cc1.OCC4.C5C8.O46.O57 |
1924924 | Brc1ccc(NCc2nc3cccnc3s2)cc1 | [Br][C][=C][C][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][P] | c16nc2cccnc2s1.Brc1ccc5cc1.N45.C46 |
1924925 | COC(=O)c1cccc(NCc2nc3cccnc3s2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][P] | c18nc2cccnc2s1.c17cccc6c1.C47=O.CO4.N56.C58 |
1924926 | COc1cc(F)cc(NCc2nc3cccnc3s2)c1 | [C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][S][N][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring1][C] | c17nc2cccnc2s1.c14cc6cc(F)c1.CO4.N56.C57 |
1924927 | Cc1nnc(CNS(=O)(=O)Cc2cccc(C#N)c2)n1C1CC1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | c16cccc(C#N)c1.Cc1nnc5n17.S4(=O)(=O)C6.C17CC1.C35.N34 |
1924928 | Cc1cccc(C)c1NCC(=O)NC(C)(CO)C1CCCCC1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][C][C][C][C][C][Ring1][=Branch1] | Cc1cccc(C)c15.C16CCCCC1.C46(C)CO.C3C2=O.N35.N24 |
1924929 | CC(C)(C)OC(=O)NCCC(=O)N1CCn2c(n[nH]c2=O)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][#Branch1][=N][NH1][C][Ring1][Branch1][=O][C][Ring1][#Branch2] | N15CCn2c(n[nH]c2=O)C1.C7CC5=O.CC6(C)C.C34=O.O36.N47 |
1924930 | O=C1CC(NC(=O)Nc2cc(Cl)ccc2Cl)CN1 | [O][=C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][N][Ring1][P] | c15cc(Cl)ccc1Cl.O=C1CC6CN1.C34=O.N36.N45 |
1924931 | Cn1cc(NC(=O)N2Cc3ccccc3C2)c(C(F)(F)F)n1 | [C][N][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Branch1] | N15Cc2ccccc2C1.Cn1cc6c7n1.C7(F)(F)F.C45=O.N46 |
1924932 | Cc1nnccc1NC(=O)N(C)CCc1cccs1 | [C][C][=N][N][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1nnccc15.c16cccs1.C23=O.N34C.C4C6.N25 |
1924933 | Cc1noc(C2CC2)c1NC(=O)N(C)C(C)c1ccncc1 | [C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1noc8c16.c17ccncc1.C18CC1.C34=O.N45C.C57C.N36 |
1924934 | CC1(C)CN(C(=O)Nc2cccc(-n3cn[nH]c3=O)c2)C1(C)C | [C][C][Branch1][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][=N][NH1][C][Ring1][Branch1][=O][=C][Ring1][N][C][Ring2][Ring1][Ring2][Branch1][C][C][C] | CC1(C)CN4C1(C)C.c16cccc7c1.n17cn[nH]c1=O.C45=O.N56 |
1924935 | COc1ccc(CNC(=O)Nc2ccnc(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c15ccc9cc16.c18ccnc(C)n1.C34=O.CO5.C79.N37.N48.O6C |
1924936 | NC(=O)C1(NC(=O)Nc2cccc(Br)c2)CC1 | [N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][Ring1][=C] | c16cccc(Br)c1.C157CC1.NC7=O.C34=O.N35.N46 |
1924937 | CCOC1CC(NC(=O)Nc2cccc(NC(C)=O)c2)C1OC | [C][C][O][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][Ring2][Ring1][C][O][C] | c19cccc%10c1.C17CC%11C18.C34=O.C5(C)=O.CC6.O67.N3%11.N49.N5%10.O8C |
1924938 | CC(C)(C)OC(=O)c1ccccc1-c1ccncc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccccc15.c15ccncc1.CC3(C)C.C24=O.O23 |
1924939 | NC(=O)C1(NC(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 | [N][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring1] | c18ccc6cc1.C5C(F)(F)F.C179CC1.NC9=O.C34=O.N37.N48.O56 |
1924940 | CCOC1CC(NC(=O)Nc2cc(F)c(OC)cc2F)C1OC | [C][C][O][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][F][C][Ring2][Ring1][C][O][C] | c19cc(F)c8cc1F.C16CC%10C17.C34=O.CC5.O56.N3%10.N49.O8C.O7C |
1924941 | CC(=O)N1CCC(C(=O)OC(C)(C)c2ccc(C)nc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1] | N14CCC6CC1.c17ccc(C)nc1.C57(C)C.CC4=O.C36=O.O35 |
1924944 | C#CCC(C)OC(=O)c1cc(N(C)C)nc2ccccc12 | [C][#C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c16cc5nc2ccccc12.C#CCC4C.C36=O.N5(C)C.O34 |
1924945 | CCN(C(=O)N1CCN(C(=O)c2ccncc2)CC1)C(C)C | [C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][Branch1][C][C][C] | N14CCN5CC1.c18ccncc1.N367.C34=O.C58=O.C7(C)C.CC6 |
1924947 | COCCCNC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][O][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N14CCN7CC1.c18ccsc1.C5CC6.C34=O.C78C.CO5.N36 |
1924948 | CC(C)NC(=O)CNC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N15CCN8CC1.c19ccsc1.C3(=O)C7.CC6C.C45=O.C89C.N36.N47 |
1924949 | CC(C)Cn1cc(NC(=O)NC2CCOC(c3ccccc3)C2)cn1 | [C][C][Branch1][C][C][C][N][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=N][Ring2][Ring1][Branch1] | C17CCOC9C1.n18cc6cn1.c19ccccc1.CC(C)C8.C45=O.N46.N57 |
1924950 | Cc1cc(C)nc(NC(=O)NCC(O)c2ccsc2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][=C][S][C][=Ring1][Branch1][=C][Ring2][Ring1][Ring1] | Cc1cc6nc(C)c1.c17ccsc1.C5C7O.C34=O.N36.N45 |
1924951 | CCOc1cccc(NC(=O)NCCc2ccccn2)n1 | [C][C][O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C] | c16cccc8n1.c19ccccn1.C34=O.C7C9.CC5.O56.N38.N47 |
1924952 | Cc1n[nH]c(C)c1NC(=O)Nc1cccc(OCC(F)F)n1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=N][Ring1][O] | Cc1n[nH]c(C)c17.c16cccc5n1.C4C(F)F.C23=O.N27.N36.O45 |
1924953 | CCOCCOC(C)C(=O)Nc1c(C)c(C)nc2ccccc12 | [C][C][O][C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c18c(C)c(C)nc2ccccc12.C7(C)C3=O.C5C6.CC4.O45.O67.N38 |
1924954 | Cc1noc(C2COCCN2Cc2cccc(-c3ccccc3)c2)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][C][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=N][Ring2][Ring1][Branch2] | C16COCCN14.c15cccc7c1.Cc1noc6n1.c17ccccc1.C45 |
1924955 | COc1ccnc(NCCc2nc(-c3ccccc3)n[nH]2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][=N][Ring2][Ring1][Ring2] | c14ccnc6n1.c17nc8n[nH]1.c18ccccc1.C5C7.CO4.N56 |
1924956 | OCCC1(Nc2ncnc3c2oc2ccccc23)CCC1 | [O][C][C][C][Branch2][Ring1][Branch1][N][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][Ring2][Ring1][C] | c15ncnc2c1oc1ccccc12.C146CCC1.OCC6.N45 |
1924957 | O=C(CN1CCc2sccc2C1)OC1CCCCC1 | [O][=C][Branch1][#C][C][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][O][C][C][C][C][C][C][Ring1][=Branch1] | N15CCc2sccc2C1.C14CCCCC1.O=C3C5.O34 |
1924958 | CCOc1ccc(C(=O)CCC(=O)N=c2[nH]ncn2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][=C][NH1][N][=C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring1] | C5(=O)CCC(=O)N=c1[nH]ncn1C.c14ccc5cc1.CC3.O34 |
1924959 | CC(C)(C)OC(=O)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][O][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][C][Ring1][P] | N14CCC7CC1.c16nccc8n1.CC5(C)C.C8(F)(F)F.C34=O.O35.O67 |
1924960 | Cn1c(=O)[nH]c(=O)c2c1nc1n2C(=O)CC2(CCCC2)C1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][O] | Cn1c(=O)[nH]c(=O)c2c1nc1n2C(=O)CC2(CCCC2)C1 |
1924961 | Cn1cnc2cc(-c3nc(C4CCOC4)no3)cnc21 | [C][N][C][=N][C][=C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1] | Cn1cnc2cc6cnc21.c16nc5no1.C15CCOC1 |
1924962 | N#Cc1cc(NC(CO)c2ccco2)ccc1C(F)(F)F | [N][#C][C][=C][C][Branch1][=C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][#C][C][Branch1][C][F][Branch1][C][F][F] | N#Cc1cc4ccc16.c15ccco1.C35CO.C6(F)(F)F.N34 |
1924963 | CN1CCOC2CN(c3ccc(C(F)(F)F)c(C#N)c3)CC21 | [C][N][C][C][O][C][C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Ring1][C][#N][=C][Ring1][N][C][C][Ring1][P][Ring2][Ring1][Branch1] | CN1CCOC2CN4CC21.c14ccc5c(C#N)c1.C5(F)(F)F |
1924964 | CC(C)(C)n1ncc2c(N(CC3CCOC3)C3CC3)ncnc21 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][=C][Branch1][P][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][C][C][Ring1][Ring1][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1] | n17ncc2c5ncnc21.C18CCOC1.CC7(C)C.N456.C16CC1.C48 |
1924965 | CC(C)OC1CC(NC(=O)c2cnn(-c3ccccc3)n2)C1(C)C | [C][C][Branch1][C][C][O][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][Ring2][Ring1][C][Branch1][C][C][C] | C16CC7C1(C)C.c18cnn9n1.c19ccccc1.CC5C.C48=O.O56.N47 |
1924966 | COC1CC(OC(=O)c2ccnc(OC3CCC3)c2)C1 | [C][O][C][C][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O][C][Ring2][Ring1][C] | c19ccnc5c1.C16CC7C1.C18CCC1.C49=O.CO6.O47.O58 |
1924968 | CN(Cc1nc2ccsc2c(=O)[nH]1)c1ccc(C#N)cn1 | [C][N][Branch2][Ring1][C][C][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2] | c15nc2ccsc2c(=O)[nH]1.c14ccc(C#N)cn1.CN34.C35 |
1924969 | Cc1nc(CNC(=O)NC2CCCc3sccc32)cs1 | [C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][=C][S][Ring2][Ring1][Ring1] | N5C1CCCc2sccc21.Cc1nc7cs1.C45=O.C67.N46 |
1924970 | Cc1noc(CNC(=O)N2CC=C(c3ccccc3F)CC2)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][=N][Ring2][Ring1][=Branch1] | N15CC=C(c2ccccc2F)CC1.Cc1noc7n1.C45=O.C67.N46 |
1924971 | CCn1nc(C(C)C)cc1C(=O)OC1CCCC1OC | [C][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][O][C] | n16nc7cc15.C13CCCC14.C7(C)C.C25=O.CC6.O23.O4C |
1924972 | O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccc(Cl)cn1 | [O][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | O=c1ccc5nn13.c15ccc(F)cc1.c14ccc(Cl)cn1.C34 |
1924975 | CCOc1cc(N2CCOC(Cn3cc(C)cn3)C2)ncn1 | [C][C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][O][C][Branch1][N][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring1][=N][=N][C][=N][Ring2][Ring1][Ring1] | c15cc6ncn1.N16CCOC8C1.n17cc(C)cn1.CC4.O45.C78 |
1924976 | CC#CCCCCN1CCN(C(=O)c2ccncc2)CC1 | [C][C][#C][C][C][C][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | CC#CCCCC4.N14CCN3CC1.c15ccncc1.C35=O |
1924977 | Cc1nnnn1CCNC(=O)c1ccc(N2CCC(C)CC2)nc1 | [C][C][=N][N][=N][N][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][=N] | c16ccc5nc1.N15CCC(C)CC1.Cc1nnnn17.C7C4.C36=O.N34 |
1924978 | O=C(CNC(=O)c1cccc(O)c1)NCCC1CC2CCC1C2 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] | c17cccc(O)c1.C18CC2CCC1C2.O=C3C5.C47=O.C6C8.N45.N36 |
1924979 | CN(c1cc(N(C)C2CCOC2)ncn1)C1CCOC1 | [C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][N][N][Branch1][C][C][C][C][C][O][C][Ring1][Branch1][=N][C][=N][Ring1][=N][C][C][C][O][C][Ring1][Branch1] | c13cc4ncn1.C16CCOC1.C15CCOC1.CN35.N46C |
1924980 | CC1CN(c2cc(N3CC(C)OC(C)C3)ncn2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch2][C][=C][C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=N][C][=N][Ring1][=C][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] | CC1CN4CC(C)O1.N15CC(C)OC(C)C1.c14cc5ncn1 |
1924981 | CCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)CC | [C][C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][Branch1][C][C][C][C] | c14ccc(S5(=O)=O)cc16.N15CCCC1.C6(C)CC.CC3.O34 |
1924982 | CC(=O)C1C(Cc2nc3ccccc3s2)C(=O)N2CCOCC12 | [C][C][=Branch1][C][=O][C][C][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring2][Ring1][Ring2][Ring1][=Branch1] | C14C6C(=O)N2CCOCC12.c15nc2ccccc2s1.CC4=O.C56 |
1924983 | COc1ccc2cc(C(=O)Nc3ccccc3O)c(C)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2cc7c(C)nc2c1.c16ccccc1O.C47=O.CO5.N46 |
1924984 | N#CC1(NC(=O)c2cc(Cl)c3c(c2)OCO3)CCCC1 | [N][#C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][C] | c16cc(Cl)c2c(c1)OCO2.N#CC15CCCC1.C46=O.N45 |
1924985 | CC(=O)N1CCc2ccccc2C1CC(=O)NC1CCCC1 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | N13CCc2ccccc2C1CC4=O.C15CCCC1.CC3=O.N45 |
1924986 | Cc1nc(COc2ccccc2C(=O)NCCc2cccs2)no1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring2][Ring1][#Branch1] | c15ccccc17.Cc1nc8no1.c19cccs1.C37=O.C6C9.C48.O45.N36 |
1924987 | CC(=O)N1CCCC(C(=O)NC(C)c2ccc(F)c(F)c2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][Ring1] | c17ccc(F)c(F)c1.N13CCCC6C1.CC3=O.C46=O.C57C.N45 |
1924988 | Cc1noc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][N][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=N][Ring2][Ring1][=Branch1] | N14CCN5CC1.Cc1noc6n1.c17ccccc1.S5(=O)(=O)C7.C46 |
1924989 | Cc1cc(CN(c2cccc(C#N)c2)S(C)(=O)=O)on1 | [C][C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][O][N][=Ring2][Ring1][Ring1] | c15cccc(C#N)c1.Cc1cc6on1.S4(C)(=O)=O.N345.C36 |
1924990 | Cc1noc(C)c1CC(=O)NC1CCCCC1Cc1ccco1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1noc(C)c16.C13CCCCC15.c14ccco1.C6C2=O.N23.C45 |
1924991 | O=c1c2ccoc2ccn1Cc1cccc2cccnc12 | [O][=C][C][C][=C][O][C][=Ring1][Branch1][C][=C][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | O=c1c2ccoc2ccn13.c14cccc2cccnc12.C34 |
1924992 | CNC(=O)C1CCN(C(=O)Cc2c(C)noc2C)CC1 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][S] | C15CCN4CC1.c16c(C)noc1C.C4(=O)C6.C35=O.CN3 |
1924993 | Cc1noc(C)c1C(=O)NC1CCCCC1Cc1ccco1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1noc(C)c14.C13CCCCC16.c15ccco1.C24=O.N23.C56 |
1924994 | CC(C)(NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc(F)cc1 | [C][C][Branch1][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc2[nH]c(=O)c(=O)[nH]c2c1.c16ccc(F)cc1.CC46C.C35=O.N34 |
1924995 | O=C(COc1ccc(Oc2ccccn2)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c16ccc7cc1.c15ccccn1.N13CCOCC1.O=C3C4.O46.O57 |
1924997 | Cc1sc(-n2cccc2)c(C(=O)OCCO)c1C | [C][C][S][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][C][O][C][=Ring1][S][C] | Cc1sc6c5c1C.n16cccc1.C35=O.C4CO.O34 |
1924998 | CN1CCC(C(=O)NC(c2cccs2)C2CC2)CC1=O | [C][N][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][C][=O] | CN1CCC5CC1=O.c16cccs1.C35=O.C467.C17CC1.N34 |
1924999 | COc1ncccc1C(=O)OCc1ccc(SC)cc1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | c14ncccc15.c16ccc7cc1.C25=O.CO4.O23.C36.S7C |
1925000 | CNC(=O)CN1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 | [C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][C][Ring1][S] | c16ccn(C)c(=O)c1.N15CCN4CC1.C3(=O)C5.C46=O.CN3 |
1925001 | CN1CCC(C(=O)NCCC2CCCO2)CC1=O | [C][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][S][=O] | CN1CCC5CC1=O.C16CCCO1.C35=O.C4C6.N34 |
1925002 | CNc1snc(C)c1C(=O)OCc1cccs1 | [C][N][C][S][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][S][Ring1][Branch1] | c14snc(C)c15.c16cccs1.C25=O.CN4.O23.C36 |
1925003 | NC(=O)c1ccccc1COC(=O)C12CC3CC(CC(C3)C1)C2 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] | C126CC3CC(CC(C3)C1)C2.c17ccccc18.NC7=O.C46=O.C58.O45 |
1925004 | O=C(NCc1ccc(-n2ccnc2)nc1)NC(C1CC1)C1CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][=C][Ring1][O][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1] | c19ccc%10nc1.n1%10ccnc1.O=C34.C678.C17CC1.C18CC1.N35.C59.N46 |
1925005 | COC(=O)C(C)(C)NC(=O)C1Cc2ccccc2S1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | C16Cc2ccccc2S1.C3(=O)C5(C)C.C46=O.CO3.N45 |
1925006 | CCn1cnnc1C1CCN(c2ncnc3sccc23)CC1 | [C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][N][Branch1][=C][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] | c14ncnc2sccc12.C16CCN4CC1.n15cnnc16.CC5 |
1925007 | COc1ccc(CN(C)c2nc(C)cc(C)n2)cc1OC(F)F | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][P][O][C][Branch1][C][F][F] | c13ccc7cc14.c16nc(C)cc(C)n1.O4C(F)F.N56C.CO3.C57 |
1925008 | CC(C)C(C)N(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 | [C][C][Branch1][C][C][C][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N] | S5(=O)(=O)c1c[nH]c6c1.CC(C)C4C.N13CCCC1.N45C.C36=O |
1925009 | CCOC(=O)Nc1nnc(SC2CCOC2=O)s1 | [C][C][O][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][S][C][C][C][O][C][Ring1][Branch1][=O][S][Ring1][N] | c16nnc7s1.C18CCOC1=O.C34=O.CC5.O35.N46.S78 |
1925010 | CC(=O)N1CCc2ccccc2C1CC(=O)N1CCCC1C(N)=O | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][N][=O] | N13CCc2ccccc2C1CC4=O.N14CCCC15.CC3=O.C5(N)=O |
1925011 | CCN1CCc2nc3ccccc3c(C(=O)NCC3CCOC3)c2C1 | [C][C][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1] | N15CCc2nc3ccccc3c7c2C1.C18CCOC1.C47=O.CC5.N46.C68 |
1925012 | Cc1noc(C)c1CC(=O)N1CCC(COCC(C)C)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][O][C][C][Branch1][C][C][C][C][C][Ring1][N] | Cc1noc(C)c16.N12CCC5CC1.C6C2=O.C4C(C)C.C35.O34 |
1925013 | Cc1nnnn1C(Cc1cccc(F)c1)C(=O)N1CCCC1 | [C][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c14cccc(F)c1.Cc1nnnn13.C3(C4)C2=O.N12CCCC1 |
1925015 | CC(C)CCOC1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 | [C][C][Branch1][C][C][C][C][O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][C][Ring1][S] | c16ccn(C)c(=O)c1.C15CCN3CC1.CC(C)CC4.C36=O.O45 |
1925016 | Cc1nc(C2(NC(=O)c3cnn(C)c3)CCC2)no1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][Ring1][=N][=N][O][Ring2][Ring1][C] | Cc1nc7no1.c16cnn(C)c1.C157CCC1.C46=O.N45 |
1925017 | Cc1nc(C2(NC(=O)c3ccc(=O)n(C)c3)CCC2)no1 | [C][C][=N][C][Branch2][Ring1][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2][C][C][C][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | c16ccc(=O)n(C)c1.Cc1nc7no1.C157CCC1.C46=O.N45 |
1925019 | CCOC(=O)Cc1ccc2ncc(Br)cc2c1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=C][Ring1][O] | c15ccc2ncc(Br)cc2c1.C3(=O)C5.CC4.O34 |
1925020 | O=C(COC1CCCC1)N1CCCc2c(F)cc(F)cc21 | [O][=C][Branch1][#Branch2][C][O][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring1][N] | N13CCCc2c(F)cc(F)cc21.C15CCCC1.O=C3C4.O45 |
1925021 | COCc1ccc(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][O][Ring2][Ring1][=Branch1] | c19ccc%10nc1.n1%10nc(C)cc1C.c18ccc7o1.C47=O.CO5.C58.N46.C69 |
1925022 | CC(=O)NC1CCCN(C(=O)C(NC(C)=O)C2CCCC2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][C] | C17CCCN4C1.C4(=O)C68.C18CCCC1.CC3=O.C5(C)=O.N37.N56 |
1925024 | CCOC(=O)COC(=O)c1cc(C)nc2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c17cc(C)nc2ccccc12.C3(=O)C6.C47=O.CC5.O35.O46 |
1925025 | Cc1ccccc1CN(C)C(=O)NC(C)c1nccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1] | Cc1ccccc17.c16nccs1.N24C.C23=O.C56C.C47.N35 |
1925026 | Cc1ccccc1C(C)NC(=O)NC(C)c1nccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1] | Cc1ccccc17.c16nccs1.C47C.C23=O.C56C.N24.N35 |
1925027 | O=C(Nc1cccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c15ccc7cc1.c14cccnc1.c17noc6n1.C6(F)(F)F.O=C35.N34 |
1925028 | CC1COCCN1C(=O)Nc1ccn(Cc2ccccc2)n1 | [C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N] | CC1COCCN13.c15ccn6n1.c17ccccc1.C34=O.N45.C67 |
1925029 | Cc1cc(CN2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)no1 | [C][C][=C][C][Branch2][Ring1][#C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2][C][C][Ring1][S][=N][O][Ring2][Ring1][=Branch1] | c16ccc(=O)n(C)c1.N15CCN4CC1.Cc1cc7no1.C46=O.C57 |
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