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](C(=O)[O-])[C@@H]1Cc2c(cc3c(c2O)CN([C@H](C)C(=O)[O-])C3=O)O1 ZINC000038784124 213225508 /nfs/dbraw/zinc/22/55/08/213225508.db2.gz NMWBQDUMSFMKDB-AMXGMDGSSA-N -2 0 335.312 0.845 1 10 ECCFRL C[C@@H](C(=O)[O-])[C@H]1Cc2c(cc3c(c2O)CN([C@H](C)C(=O)[O-])C3=O)O1 ZINC000103291165 219285175 /nfs/dbraw/zinc/28/51/75/219285175.db2.gz NMWBQDUMSFMKDB-OPVBNTEQSA-N -2 0 335.312 0.845 1 10 ECCFRL