smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849058434 1067789462 /nfs/dbraw/zinc/78/94/62/1067789462.db2.gz DFQLMNJJTZXXCU-UHFFFAOYSA-N 2 3 496.703 4.287 20 0 JIADHP