smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1S(=O)(=O)[O-])c1ccc(F)cc1 ZINC001230175335 1066863803 /nfs/dbraw/zinc/86/38/03/1066863803.db2.gz CJMGBSNOBABLJP-HSZRJFAPSA-N -1 2 500.456 3.845 20 0 KHADLM COC(=O)[C@@H](Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1S(=O)(=O)[O-])c1ccc(F)cc1 ZINC001230175336 1066863849 /nfs/dbraw/zinc/86/38/49/1066863849.db2.gz CJMGBSNOBABLJP-QHCPKHFHSA-N -1 2 500.456 3.845 20 0 KHADLM COC(=O)[C@H](Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1S(=O)(=O)[O-])c1ccccc1F ZINC001230179012 1066863860 /nfs/dbraw/zinc/86/38/60/1066863860.db2.gz CTGPIRMWOVMNFE-HSZRJFAPSA-N -1 2 500.456 3.845 20 0 KHADLM COC(=O)[C@@H](Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1S(=O)(=O)[O-])c1ccccc1F ZINC001230179013 1066864045 /nfs/dbraw/zinc/86/40/45/1066864045.db2.gz CTGPIRMWOVMNFE-QHCPKHFHSA-N -1 2 500.456 3.845 20 0 KHADLM COC(=O)[C@H](Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1S(=O)(=O)[O-])c1cccc(F)c1 ZINC001230179429 1066864027 /nfs/dbraw/zinc/86/40/27/1066864027.db2.gz OEJOHAFSHQAAIO-HSZRJFAPSA-N -1 2 500.456 3.845 20 0 KHADLM COC(=O)[C@@H](Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1S(=O)(=O)[O-])c1cccc(F)c1 ZINC001230179430 1066864062 /nfs/dbraw/zinc/86/40/62/1066864062.db2.gz OEJOHAFSHQAAIO-QHCPKHFHSA-N -1 2 500.456 3.845 20 0 KHADLM