Molecule_Name stringlengths 19 19 | SMILES stringlengths 13 66 |
|---|---|
blind_challenge_001 | O=C(Nc1ccc2c(c1)CNC2)c1cccc2cn[nH]c12 |
blind_challenge_002 | O=C(Nc1ccc2c(c1)CNC2)c1cccn2nccc12 |
blind_challenge_003 | Cn1ccc2cccc(C(=O)Nc3ccc4c(c3)CNC4)c21 |
blind_challenge_004 | O=C(Nc1ccc2c(c1)CNC2)c1nccc2cc[nH]c12 |
blind_challenge_005 | O=C(Nc1ccc2c(c1)CNC2)c1cccc2[nH]ccc12 |
blind_challenge_006 | O=C(Nc1ccc2c(c1)CNC2)c1cc(Cl)cc2cc[nH]c12 |
blind_challenge_007 | Cc1ccc(C(=O)Nc2ccc3c(c2)CNC3)c2[nH]ccc12 |
blind_challenge_008 | O=C(Nc1ccc2c(c1)NCC2)c1cccc2cc[nH]c12 |
blind_challenge_009 | O=C(Nc1ccc2c(c1)CNC2)c1cccc2cc[nH]c12 |
blind_challenge_010 | O=C(Nc1ccc2c(c1)CNC2)c1cccc2ccnn12 |
blind_challenge_011 | O=C(Nc1ccc2c(c1)CCN2)c1cccc2cc[nH]c12 |
blind_challenge_012 | Cc1cc(C(=O)Nc2ccc3c(c2)CNC3)c2[nH]ccc2c1 |
blind_challenge_013 | O=C(Nc1ccc2c(c1)CNC2)c1ccnc2cc[nH]c12 |
blind_challenge_014 | c1cc([C@@H]2CCCNC2)on1 |
blind_challenge_015 | c1cncc([C@@H]2CNCCN2)c1 |
blind_challenge_016 | c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)nc1 |
blind_challenge_017 | c1ccc2[nH]c([C@@H]3CCNC3)nc2c1 |
blind_challenge_018 | c1cnc(N2CCNCC2)nc1 |
blind_challenge_019 | CC(C)C[C@H](NC(=O)[C@@H](C)c1ccccn1)c1nc2ccccc2[nH]1 |
blind_challenge_020 | CNC(=O)C[C@H]1CCCN1 |
blind_challenge_021 | O=C(NCCc1ncc[nH]1)c1cc(Br)cc2[nH]cnc12 |
blind_challenge_022 | Oc1cc2ccccc2n1C1CNC1 |
blind_challenge_023 | O=C(Cc1c[nH]c2ccccc12)NCc1ccc(N2CCCC2)nc1 |
blind_challenge_024 | O=C(NCCc1c[nH]cn1)c1cc(-c2ccccc2)nc2ccccc12 |
blind_challenge_025 | c1nc([C@@H]2CCCNC2)n2c1CCCC2 |
blind_challenge_026 | Cc1ncc(C)c(N)n1 |
blind_challenge_027 | O=C1Nc2ccc(Cl)cc2C1=O |
blind_challenge_028 | Nc1nc2ccc(Cl)cc2s1 |
blind_challenge_029 | Nc1nc2ccccc2s1 |
blind_challenge_030 | c1ccc(-n2ccnc2)cc1 |
blind_challenge_031 | O=C(O)CCn1cnc2ccccc21 |
blind_challenge_032 | CC(=O)c1c[nH]c2cc(F)ccc12 |
blind_challenge_033 | O=C1Nc2ccccc2C1=O |
blind_challenge_034 | O=C(O)Cc1ccccc1O |
blind_challenge_035 | Nc1ccc2ccccc2n1 |
blind_challenge_036 | Nc1nc2ccccc2[nH]1 |
blind_challenge_037 | NS(=O)(=O)c1cc(Cl)cc(Cl)c1 |
blind_challenge_038 | NC(=O)c1cccc(Cl)c1 |
blind_challenge_039 | NC(=O)c1cc(Cl)ccc1N |
blind_challenge_040 | Oc1ccc(-n2ccnc2)cc1 |
blind_challenge_041 | Cc1cc2nc[nH]c2cc1C |
blind_challenge_042 | CNc1nc2ccccc2[nH]1 |
blind_challenge_043 | Nc1nc2ccc(F)cc2s1 |
blind_challenge_044 | c1cc(-c2ncc[nH]2)ccn1 |
blind_challenge_045 | Nc1cnc2ccccc2c1 |
blind_challenge_046 | Cc1nc2ccccc2[nH]1 |
blind_challenge_047 | NS(=O)(=O)c1ccc(F)cc1 |
blind_challenge_048 | Cc1c[nH]c2cccnc12 |
blind_challenge_049 | Fc1ccc(-c2cc[nH]n2)nc1 |
blind_challenge_050 | c1ccc(CNc2ccc3c(n2)CNC3)cc1 |
blind_challenge_051 | Cc1ccccc1CNc1ccc2c(c1)CNC2 |
blind_challenge_052 | NS(=O)(=O)c1cccc(CNc2ccc3c(c2)CNC3)c1 |
blind_challenge_053 | O=C(O)c1cccc(CNc2ccc3c(c2)CNC3)c1 |
blind_challenge_054 | O=C(Nc1ccc(O)cc1)c1cccc2[nH]ncc12 |
blind_challenge_055 | c1ccc(CNc2ccc3c(c2)CNC3)cc1 |
blind_challenge_056 | Cc1cc(C(=O)Nc2ccccc2)c2c[nH]nc2c1 |
blind_challenge_057 | Cc1c[nH]c2ccc(C(=O)Nc3ccc4c(c3)CNC4)cc12 |
blind_challenge_058 | CN1Cc2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2C1 |
blind_challenge_059 | O=C(Nc1ccc2c(c1)CNC2)c1ccc2[nH]cnc2c1 |
blind_challenge_060 | O=C(Nc1ccc2c(c1)CNC2)c1ccnc2[nH]c(O)cc12 |
blind_challenge_061 | Nc1cccc(NC(=O)c2cccc3[nH]ncc23)c1 |
blind_challenge_062 | Cn1c(O)cc2c(C(=O)Nc3ccc4c(c3)CNC4)cccc21 |
blind_challenge_063 | O=C(Nc1ccc2c(c1)CNC2)c1cnc2[nH]ccc2c1 |
blind_challenge_064 | Clc1ccccc1CNc1ccc2c(c1)CNC2 |
blind_challenge_065 | CN1Cc2ccc(NC(=O)c3cccc4[nH]c(O)cc34)cc2C1 |
blind_challenge_066 | CN1Cc2ccc(NCc3ccccc3)cc2C1 |
blind_challenge_067 | O=C(Nc1ccc2c(c1)CN(CC(F)F)C2)c1ccc2[nH]ccc2c1 |
blind_challenge_068 | O=C(Nc1ccc2c(c1)CNC2)c1ccc2[nH]cc(C3CCNCC3)c2c1 |
blind_challenge_069 | O=C(Nc1ccc2c(c1)CNC2)c1cccc2[nH]c(O)cc12 |
blind_challenge_070 | O=C(Nc1ccc2c(c1)CNC2)c1ccccc1 |
blind_challenge_071 | Cc1cc2cc(C(=O)Nc3ccc4c(c3)CNC4)ccc2[nH]1 |
blind_challenge_072 | O=C(Nc1ccc2c(c1)CNC2)c1ccc2[nH]ncc2c1 |
blind_challenge_073 | O=C(Nc1ccc2c(c1)CNC2)c1ccc2[nH]ccc2n1 |
blind_challenge_074 | Brc1cccc(CNc2ccc3c(c2)CNC3)c1 |
blind_challenge_075 | O=C(Nc1ccccc1O)c1cccc2[nH]ncc12 |
blind_challenge_076 | COc1ccccc1CNc1ccc2c(c1)CNC2 |
blind_challenge_077 | NCc1cccc(NC(=O)c2cccc3[nH]ncc23)c1 |
blind_challenge_078 | Clc1cccc(CNc2ccc3c(c2)CNC3)c1 |
blind_challenge_079 | COc1cccc(CNc2ccc3c(c2)CNC3)c1 |
blind_challenge_080 | Cc1cccc(CNc2ccc3c(c2)CNC3)c1 |
blind_challenge_081 | Brc1ccccc1CNc1ccc2c(c1)CNC2 |
blind_challenge_082 | O=C1NCc2ccc(NC(=O)c3cccc4[nH]c(O)cc34)cc21 |
blind_challenge_083 | O=C(O)c1cccc(NC(=O)c2cccc3[nH]ncc23)c1 |
blind_challenge_084 | CNC(=O)c1cc(Cl)ccc1NS(=O)(=O)C[C@H]1CN(C)CCO1 |
blind_challenge_085 | CNC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC1CCNCC1 |
blind_challenge_086 | COc1cc(CC(=O)N2CCN(C(C)=O)CC2)nc(N2CCNCC2)n1 |
blind_challenge_087 | Fc1ncccc1OCc1cc(Cl)nc(N2CCNCC2)n1 |
blind_challenge_088 | CNC(=O)c1cc(Cl)ccc1NS(=O)(=O)Cc1ccccn1 |
blind_challenge_089 | CCOc1cc(COc2cccnc2F)nc(N2CCNCC2)n1 |
blind_challenge_090 | OCCOc1cc(COc2cccnc2F)nc(N2CCNCC2)n1 |
blind_challenge_091 | CNc1cc(COc2cccnc2F)nc(N2CCNCC2)n1 |
blind_challenge_092 | Cn1cccc(CN2CCC(c3c[nH]c4cccnc34)CC2)c1=O |
blind_challenge_093 | c1cncc(CN2CCC(c3c[nH]c4cccnc34)CC2)c1 |
blind_challenge_094 | c1cc(CN2CCC(c3c[nH]c4cccnc34)CC2)c2[nH]ncc2c1 |
blind_challenge_095 | O=C([O-])c1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1 |
blind_challenge_096 | O=C([O-])c1cccc(NC(=O)c2cccs2)c1 |
blind_challenge_097 | CNC(=O)c1cc(Cl)ccc1NS(=O)(=O)Cc1cccnc1 |
blind_challenge_098 | O=C1Nc2c(Br)cccc2C[C@@]12CCCN2 |
blind_challenge_099 | CC(C)(CO)NC(=O)c1cc(Cl)cc(OCc2ccccn2)c1 |
blind_challenge_100 | CC(C)Oc1cc(COc2cccnc2F)nc(N2CCNCC2)n1 |
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