smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c2c(c(C)c3ccc4ccccc4c31)CC[NH+]=C2 ZINC000001714177 567842404 /nfs/dbraw/zinc/84/24/04/567842404.db2.gz BYUVKOFKKQUMEI-UHFFFAOYSA-N 1 1 275.351 4.285 40 5 CIBBMO CC[NH+](CC)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1 ZINC000073739885 566857452 /nfs/dbraw/zinc/85/74/52/566857452.db2.gz SYYFFMNEGXCHNP-UHFFFAOYSA-N 1 1 285.347 4.185 40 5 CIBBMO