smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1 ZINC000033886805 559287707 /nfs/dbraw/zinc/28/77/07/559287707.db2.gz YXYKHKCYNSEDDW-BXUJETTOSA-N -1 2 422.437 4.170 10 10 HICELM CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1 ZINC000033886804 559287777 /nfs/dbraw/zinc/28/77/77/559287777.db2.gz YXYKHKCYNSEDDW-ONDHQXCVSA-N -1 2 422.437 4.170 10 10 HICELM