smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000003936470 561688583 /nfs/dbraw/zinc/68/85/83/561688583.db2.gz OLTRDACQFPTOSK-VQGAUUQYSA-N 2 0 604.623 2.560 10 30 KFEERP