ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
10055 | N#CCS(=O)(=O)c1ccc(OC(F)(F)F)cc1 | [N][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | N#CCS(=O)(=O)c1ccc2cc1.O2C(F)(F)F |
10056 | CCc1cc2c(=O)n(C(C)C(=O)OC(C)C)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][#C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | c16cc2c(=O)n5cnc2s1.C5(C)C3=O.C4(C)C.CC6.O34 |
10057 | O=S(=O)(c1ccc(C(F)(F)F)cn1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | O=S(=O)(c1ccc2cn1)c1cccs1.C2(F)(F)F |
10058 | CCc1cc2c(=O)n(C(C)C(=O)OCc3ccccc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1] | c17cc2c(=O)n6cnc2s1.c18ccccc1.C6(C)C4=O.CC7.O45.C58 |
10059 | CCc1cc2c(=O)n(CC(=O)OC(C)CC)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | c16cc2c(=O)n5cnc2s1.C5C3=O.C4(C)CC.CC6.O34 |
10060 | CCOC(=O)C(C)n1cnc2sc(CC)cc2c1=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][Branch1][Ring1][C][C][=C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n15cnc2sc6cc2c1=O.C3(=O)C5C.CC4.O34.C6C |
10061 | CCc1cc2c(=O)n(C(C)C(=O)OC(C)CC)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][=N][C][=Ring1][S][S][Ring2][Ring1][Ring1] | c16cc2c(=O)n5cnc2s1.C5(C)C3=O.C4(C)CC.CC6.O34 |
10062 | CCc1cc2c(=O)n(Cc3ccccc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][=C][S][Ring1][P] | c15cc2c(=O)n4cnc2s1.c16ccccc1.CC5.C46 |
10063 | CCc1cc2c(=O)n(C(C)C(C)=O)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][Branch1][C][C][C][Branch1][C][C][=O][C][=N][C][=Ring1][N][S][Ring1][#C] | c14cc2c(=O)n3cnc2s1.C3(C)C(C)=O.CC4 |
10064 | CCc1cc2c(=O)n(CC(=O)Nc3ccc(OC)cc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][C][=Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1] | c18cc2c(=O)n7cnc2s1.c16ccc5cc1.C7C4=O.CC8.N46.O5C |
10065 | CCc1cc2c(=O)n(CC(=O)Nc3ccc(C)cc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=Ring2][Ring1][C][S][Ring2][Ring1][Branch1] | c17cc2c(=O)n6cnc2s1.c15ccc(C)cc1.C6C4=O.CC7.N45 |
10066 | CCc1cc2c(=O)n(CC(=O)Nc3ccccc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][P][S][Ring2][Ring1][Ring2] | c17cc2c(=O)n6cnc2s1.c15ccccc1.C6C4=O.CC7.N45 |
10067 | CCc1cc2c(=O)n(CC(=O)NCc3ccccc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring2][Ring1][C][S][Ring2][Ring1][Branch1] | c17cc2c(=O)n6cnc2s1.c18ccccc1.C6C4=O.CC7.N45.C58 |
10068 | CCc1cc2c(=O)n(CCC(C)C)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=N][C][=Ring1][N][S][Ring1][#C] | c14cc2c(=O)n3cnc2s1.C3CC(C)C.CC4 |
10069 | CCc1cc2c(=O)n(CC(=O)OCC(C)C)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | c16cc2c(=O)n5cnc2s1.C5C3=O.C4C(C)C.CC6.O34 |
10070 | CCc1cc2c(=O)n(CC(=O)NC3CCCCC3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=Ring1][P][S][Ring2][Ring1][Ring2] | c17cc2c(=O)n6cnc2s1.C15CCCCC1.C6C4=O.CC7.N45 |
10071 | CCc1cc2c(=O)n(CC(=O)NCCc3ccccc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1] | c17cc2c(=O)n6cnc2s1.c18ccccc1.C6C4=O.C5C8.CC7.N45 |
10072 | CCOc1ccc(-c2csc3ncn(C(C)C(C)=O)c(=O)c23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][S][C][N][=C][N][Branch1][#Branch2][C][Branch1][C][C][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][Ring1][#C][=Ring1][N][C][=C][Ring2][Ring1][Branch1] | c17csc2ncn6c(=O)c12.c15ccc7cc1.C6(C)C(C)=O.CC4.O45 |
10073 | CCOc1ccc(-c2c(C)sc3ncn(CC(N)=O)c(=O)c23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][Branch1][C][C][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Ring1][#C][=Ring1][O][C][=C][Ring2][Ring1][Branch1] | c17c(C)sc2ncn6c(=O)c12.c15ccc7cc1.C6C(N)=O.CC4.O45 |
10074 | COc1ccc(-c2csc3nc[nH]c(=O)c23)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=C][S][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch2][=Ring1][#Branch1][C][=C][Ring1][S][O][C] | c16csc2nc[nH]c(=O)c12.c14ccc6cc15.CO4.O5C |
10075 | COc1ccc(-c2csc3ncn(CC(N)=O)c(=O)c23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c17csc2ncn6c(=O)c12.c14ccc7cc15.C6C(N)=O.CO4.O5C |
10076 | CCCn1cnc2scc(-c3ccc(OC)c(OC)c3)c2c1=O | [C][C][C][N][C][=N][C][S][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][Ring2][Ring1][Ring1][=O] | n16cnc2scc7c2c1=O.c17ccc4c5c1.CCC6.O4C.O5C |
10077 | COc1ccc(-c2csc3ncn(CC(C)C)c(=O)c23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c17csc2ncn6c(=O)c12.c14ccc7cc15.C6C(C)C.CO4.O5C |
10079 | CC1(C)CC(=O)c2c(NCc3ccco3)sc(C#N)c2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][S][C][Branch1][Ring1][C][#N][=C][Ring1][=C][C][Ring2][Ring1][Ring2] | CC1(C)CC(=O)c2c5sc(C#N)c2C1.c16ccco1.N45.C46 |
10081 | Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n(N)c1=O | [C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][Branch1][C][N][C][Ring2][Ring1][Ring1][=O] | Cc1nnc6n(N)c1=O.c14ccc5cc1.C5(C)(C)C.S36.C34 |
10082 | CC(C)(C)c1ccc(CSc2n[nH]c(=O)[nH]c2=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][S] | c16n[nH]c(=O)[nH]c1=O.c14ccc5cc1.CC4(C)C.C35.S36 |
10083 | CS(=O)(=O)c1cc2cc(Cl)ccc2oc1=O | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | CS(=O)(=O)c1cc2cc(Cl)ccc2oc1=O |
10085 | N#CCS(=O)(=O)c1ccc(C(F)(F)F)cn1 | [N][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | N#CCS(=O)(=O)c1ccc2cn1.C2(F)(F)F |
10086 | CCCS(=O)(=O)c1cc2ccccc2oc1=O | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | CCCS(=O)(=O)c1cc2ccccc2oc1=O |
10087 | CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][O][C][Ring2][Ring1][C][=O] | c19cc2ccc7cc2oc1=O.c18ccco1.C49=O.C58=O.CC6.O46.O57 |
10088 | Cc1nc(NC(=O)CCc2ccccc2)sc1C | [C][C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][S][C] | Cc1nc4sc1C.c15ccccc1.C3(=O)CC5.N34 |
10090 | COCc1nnc(NC(=O)C2CCCCC2)s1 | [C][O][C][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][=C] | c17nnc5s1.C16CCCCC1.C36=O.CO4.C47.N35 |
10091 | COc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][=C][Ring1][S] | c14ccc6cc1.c15nc(C)c(C)s1.C36=O.CO4.N35 |
10092 | COc1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14ccc7cc1.c15nc(C)c6s1.C37=O.C6(C)=O.CO4.N35 |
10093 | Clc1ccc(-c2nc(-c3cnccn3)no2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | Clc1ccc5cc1.c15nc4no1.c14cnccn1 |
10094 | Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C | [C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Ring1][#C][C] | Cc1nc4sc1C.c15ccc(Cl)cc1.C35=O.N34 |
10095 | CSc1nc(-c2cnccn2)nc(-c2ccccc2Cl)c1C#N | [C][S][C][=N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Ring1][C][#N] | c13nc4nc5c1C#N.c15ccccc1Cl.c14cnccn1.CS3 |
10096 | CSc1nc(-c2cnccn2)nc(-c2ccco2)c1C#N | [C][S][C][=N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][P][C][#N] | c13nc4nc5c1C#N.c14cnccn1.c15ccco1.CS3 |
10097 | CSc1nc(-c2cnccn2)nc(C2CC2)c1C#N | [C][S][C][=N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][#C][C][#N] | c13nc4nc5c1C#N.c14cnccn1.C15CC1.CS3 |
10098 | CC(C)S(=O)(=O)c1cnc(-c2cnccn2)nc1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][N] | CC(C)S(=O)(=O)c1cnc3nc1N.c13cnccn1 |
10099 | CC(C)(C)S(=O)(=O)c1cnc(-c2cnccn2)nc1N | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][N] | CC(C)(C)S(=O)(=O)c1cnc3nc1N.c13cnccn1 |
10100 | CC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C] | c15sc4nc1C.c16ccc(C)cc1.CC5=O.C36=O.N34 |
10101 | CCOc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc8cc1.N14CCCCC1.C6C4=O.C38=O.CC5.O57.O36 |
10102 | O=C(CNC(=O)c1ccccc1)OCc1ccccc1Cl | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c17ccccc1Cl.c16ccccc1.O=C2C5.C36=O.N35.O24.C47 |
10103 | CCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#Branch2][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17cnc2c(c(C)nn2C)c15.c16ccccc1F.C37=O.CC4.O34.O56 |
10104 | O=C(CNC(=O)c1ccccc1)OCc1cccc(Br)c1 | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c17cccc(Br)c1.c16ccccc1.O=C2C5.C36=O.N35.O24.C47 |
10105 | Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c18ccc(F)cc1.C5C3=O.C6C4=O.O57.O36.N48 |
10106 | Cc1ccc(-c2c(C)sc3ncn(CC(N)=O)c(=O)c23)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][C][=C][Branch1][C][C][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Ring1][#C][=Ring1][O][C][=C][Ring2][Ring1][Branch1][C] | c15c(C)sc2ncn4c(=O)c12.Cc1ccc5cc1C.C4C(N)=O |
10107 | COC(=O)Cn1cnc2sc(C)c(-c3ccc(C)c(C)c3)c2c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][=C][C][Ring2][Ring1][C][=O] | n15cnc2sc(C)c6c2c1=O.c16ccc(C)c(C)c1.C4(=O)C5.CO4 |
10108 | CC(C)c1ncc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(N)n1 | [C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][Branch1][C][N][=N][Ring2][Ring1][Ring2] | c13ncc(S(=O)(=O)c2ccc4cn2)c(N)n1.C4(F)(F)F.CC3C |
10110 | CCc1ccc(-c2csc3ncn(C)c(=O)c23)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][O][=Ring1][Branch2][C][=C][Ring1][P] | c15csc2ncn(C)c(=O)c12.c14ccc5cc1.CC4 |
10111 | CCN(CC)C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n17cnc2scc8c2c1=O.c18ccccc1.C4(=O)C7.N456.CC5.C6C |
10112 | COC(=O)c1sc([S+](C)[O-])c(-c2ccon2)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][=C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][C][=Ring1][=N][C] | c14sc([S+](C)[O-])c5c1C.c15ccon1.C34=O.CO3 |
10114 | O=S1(=O)N=C(Nc2cc(Cl)cc(Cl)c2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=S1(=O)N=C(N3)c2ccccc21.c13cc(Cl)cc(Cl)c1 |
10115 | COc1ccc(NC2=NS(=O)(=O)c3ccccc32)c(OC)c1 | [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][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | N6C1=NS(=O)(=O)c2ccccc21.c14ccc6c5c1.CO4.O5C |
10116 | CC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][=Branch1][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] | N4C1=NS(=O)(=O)c2ccccc21.c15ccc4cc1.CC5=O |
10117 | Cc1cc(C)c(NC2=NS(=O)(=O)c3ccccc32)c(Cl)c1 | [C][C][=C][C][Branch1][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][Branch1][C][Cl][=C][Ring2][Ring1][Ring2] | N4C1=NS(=O)(=O)c2ccccc21.Cc1cc(C)c4c(Cl)c1 |
10118 | O=S1(=O)N=C(NC2CCCCC2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | O=S1(=O)N=C(N3)c2ccccc21.C13CCCCC1 |
10119 | O=S1(=O)N=C(NC2CCCCCC2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=S1(=O)N=C(N3)c2ccccc21.C13CCCCCC1 |
10122 | CCCC1=C(C(=O)OCC)C(c2cccc(OC)c2)n2ncnc2N1 | [C][C][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch1] | CCCC1=C(C3=O)C(c2cccc5c2)n2ncnc2N1.O34.C4C.O5C |
10123 | COc1ccc2ncc(C(=O)NCc3ccccc3)c(Cl)c2c1 | [C][O][C][=C][C][=C][N][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][Cl][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2ncc7c(Cl)c2c1.c18ccccc1.C47=O.CO5.N46.C68 |
10124 | COc1ccc2ncc(C(=O)N3CCOCC3)c(Cl)c2c1 | [C][O][C][=C][C][=C][N][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][Cl][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2ncc6c(Cl)c2c1.N14CCOCC1.C46=O.CO5 |
10125 | O=C(c1cnc2ccc(Cl)cc2c1Cl)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][O][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c14cnc2ccc(Cl)cc2c1Cl.N13CCOCC1.O=C34 |
10126 | Nn1c(SCc2ccc(Cl)cc2Cl)nncc1=O | [N][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][N][=C][C][Ring1][S][=O] | Nn1c5nncc1=O.c14ccc(Cl)cc1Cl.S35.C34 |
10127 | Nn1c(SCc2ccc(Br)cc2)nncc1=O | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][N][=C][C][Ring1][#C][=O] | Nn1c5nncc1=O.c14ccc(Br)cc1.S35.C34 |
10128 | CC(C)(C)c1ccc(CSc2nncc(=O)n2N)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][C][S][C][=N][N][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][N][C][=C][Ring1][S] | c16nncc(=O)n1N.c14ccc5cc1.CC4(C)C.C35.S36 |
10129 | CCOC(=O)c1c(NC(C)=O)sc(C(=O)OC(C)C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring1][#C][C] | c19c7sc8c1C.C29=O.C4(C)=O.C38=O.C6(C)C.CC5.O25.N47.O36 |
10131 | CC(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc7cc1.c18ccccc1.CC3=O.C47=O.O36.O45.C58 |
10132 | CCOC(=O)c1cc(CC)sc1NC(=O)CC | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][C][S][C][=Ring1][#Branch1][N][C][=Branch1][C][=O][C][C] | c16cc7sc15.C3(=O)CC.C26=O.CC4.O24.C7C.N35 |
10133 | CCCC(=O)Nc1sc(CC)cc1C(=O)OCC | [C][C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][Ring1][C][C][=C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C][C] | c15sc7cc16.CCCC3=O.C26=O.N35.C7C.O24.C4C |
10134 | COCc1nnc(NC(=O)Cc2ccccc2)s1 | [C][O][C][C][=N][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C] | c16nnc5s1.c17ccccc1.C3(=O)C7.CO4.C46.N35 |
10135 | O=C(Cc1ccccc1)Nc1nnc(C2CCCCC2)s1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O] | c15ccccc1.c14nnc6s1.C16CCCCC1.O=C3C5.N34 |
10137 | Cc1cc(C)n(-c2ncc(S(=O)(=O)C(C)(C)C)c(N)n2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=N][C][=N][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=N][Ring1][=C][N][=Ring2][Ring1][Ring2] | c13ncc(S(=O)(=O)C(C)(C)C)c(N)n1.Cc1cc(C)n3n1 |
10138 | COCC(=O)Oc1ccc(OCc2ccccc2)cc1 | [C][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c16ccc7cc1.c18ccccc1.C4C3=O.CO4.O36.O57.C58 |
10139 | COCC(=O)Oc1c(C)cc(Br)cc1C | [C][O][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C] | c14c(C)cc(Br)cc1C.C3C2=O.CO3.O24 |
10142 | CC(=O)c1sc(NC(=O)c2cccs2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][=N][C] | c15sc4nc1C.c16cccs1.CC5=O.C36=O.N34 |
10143 | COc1cccc(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2][=C][Ring2][Ring1][C] | c14cccc7c1.c15nc(C)c6s1.C37=O.C6(C)=O.CO4.N35 |
10144 | O=S(=O)(c1cc(C(F)(F)F)ccn1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | O=S(=O)(c1cc2ccn1)c1cccs1.C2(F)(F)F |
10145 | CSc1sc(-c2ccon2)c(-c2ccco2)c1C#N | [C][S][C][S][C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][#C][C][#N] | c13sc4c5c1C#N.c14ccon1.c15ccco1.CS3 |
10146 | Cc1nn(C)c2ncc(C(N)=O)c(Oc3ccc(Cl)cc3)c12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1][Ring1][P] | Cc1nn(C)c2ncc6c4c12.c15ccc(Cl)cc1.C6(N)=O.O45 |
10147 | N#Cc1nccnc1Oc1cccc(C(F)(F)F)c1 | [N][#C][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | N#Cc1nccnc12.c13cccc4c1.C4(F)(F)F.O23 |
10148 | NC(=O)c1nccnc1Oc1cccc(C(F)(F)F)c1 | [N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c14nccnc12.c13cccc5c1.C5(F)(F)F.NC4=O.O23 |
10149 | O=C1CCCCC1CCS(=O)(=O)c1ccc(Cl)cc1 | [O][=C][C][C][C][C][C][Ring1][=Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2CS(=O)(=O)c1ccc(Cl)cc1.O=C1CCCCC12 |
10150 | COC(=O)c1c(C(=O)OC)c2n(c1C)CCS2 | [C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][N][Branch1][Branch1][C][=Ring1][=Branch2][C][C][C][S][Ring1][#Branch1] | c15c6c2n(c1C)CCS2.C35=O.C46=O.CO3.O4C |
10151 | O=S(=O)(Cc1ccccc1)c1ccc(C(F)(F)F)cn1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | O=S(=O)(C2)c1ccc3cn1.c12ccccc1.C3(F)(F)F |
10152 | COC(=O)CSc1nnc(-c2ccccc2)n1N | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N] | c15nnc6n1N.c16ccccc1.C3(=O)C4.CO3.S45 |
10153 | Cn1ccnc1SCCS(=O)(=O)c1ccccc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2CS(=O)(=O)c1ccccc1.Cn1ccnc13.S23 |
10154 | Cc1ccc(S(=O)(=O)CCSc2nccn2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc(S(=O)(=O)CC3)cc1.c14nccn1C.S34 |
10155 | O=C(Oc1ccc2c(=O)c(Cl)coc2c1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc2c(=O)c(Cl)coc2c1.c15cccnc1.O=C35.O34 |
10156 | O=C(Oc1ccc2c(=O)c(Cl)coc2c1)c1ccncc1 | [O][=C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc2c(=O)c(Cl)coc2c1.c15ccncc1.O=C35.O34 |
10159 | COC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)cc2)n1C | [C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][P][C] | c17cnc8n1C.c16ccc(Cl)cc1.C5C4=O.C37=O.CO3.S58.N46 |
10160 | COC(=O)c1cnc(SCC(=O)Nc2cccc(Cl)c2)n1C | [C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][P][C] | c17cnc8n1C.c16cccc(Cl)c1.C5C4=O.C37=O.CO3.S58.N46 |
10162 | COc1cc(C2NC(=O)c3ccccc3N2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][C][=C][Ring1][P][O] | C15NC(=O)c2ccccc2N1.c14cc5ccc1O.CO4 |
10163 | COC(=O)c1cscc1Sc1ccc(C(F)(F)F)cn1 | [C][O][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | c15ccc4cn1.c13cscc16.C4(F)(F)F.C23=O.CO2.S56 |
10164 | Cc1c(C(=O)OCC(C)C)sc2nc[nH]c(=O)c12 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][S][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][#Branch1] | Cc1c5sc2nc[nH]c(=O)c12.C4C(C)C.C35=O.O34 |
10165 | COc1ccccc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n16cnc2sc(C)c(C)c2c1=O.c14ccccc15.C3(=O)C6.CO4.N35 |
10166 | CCOC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=Ring1][=Branch2][C][Ring1][=N][=O] | n16cnc2sc5c(C)c2c1=O.C3(=O)C6.C5(N)=O.CC4.O34 |
10167 | Cc1c(C(N)=O)sc2ncn(Cc3ccccc3Cl)c(=O)c12 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][N][=C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][=Ring1][#C] | Cc1c4sc2ncn5c(=O)c12.c16ccccc1Cl.C4(N)=O.C56 |
10168 | Cc1c(C(N)=O)sc2ncn(Cc3ccc(Cl)cc3)c(=O)c12 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][=Ring1][#C] | Cc1c4sc2ncn5c(=O)c12.c16ccc(Cl)cc1.C4(N)=O.C56 |
10169 | Cc1ccc(Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=Ring1][=Branch2][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1] | n15cnc2sc4c(C)c2c1=O.Cc1ccc6cc1.C4(N)=O.C56 |
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