smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C(=O)N1S(=O)(=O)[O-] ZINC001148589646 787593791 /nfs/dbraw/zinc/59/37/91/787593791.db2.gz FYZLQNJMBRTPOK-NVNXEXLPSA-N -2 3 332.290 -1.065 20 10 EACDHL