smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](C)(CCl)C2 ZINC000169587717 717156491 /nfs/dbraw/zinc/15/64/91/717156491.db2.gz VJTWSHJPQYWRGG-NCDDCHNLSA-N 1 0 336.839 2.561 1 50 EFGFRO C[N+](CCCl)(CCCl)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005852451 717102819 /nfs/dbraw/zinc/10/28/19/717102819.db2.gz CAWUKLJLQIHDHZ-UHFFFAOYSA-N 1 0 337.183 2.927 1 50 EFGFRO