smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=S)n([C@H]2C[C@@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O2)cc1F ZINC000027180910 581098105 /nfs/dbraw/zinc/09/81/05/581098105.db2.gz SZYXANXNBGQKHE-FSDSQADBSA-N -4 1 422.220 -0.080 1 0 HBAFML O=c1[nH]c(=S)n([C@@H]2C[C@@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O2)cc1F ZINC000027180917 581098147 /nfs/dbraw/zinc/09/81/47/581098147.db2.gz SZYXANXNBGQKHE-QYNIQEEDSA-N -4 1 422.220 -0.080 1 0 HBAFML