smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000217030024 565896750 /nfs/dbraw/zinc/89/67/50/565896750.db2.gz YGKRKKPMOLYSOU-UHFFFAOYSA-N 2 1 384.351 3.416 40 70 GGIBMP