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(NCc1ccccc1)NC(=[NH2+])N(Cc1ccccc1)Cc1ccccc1 ZINC000223069238 571311328 /nfs/dbraw/zinc/31/13/28/571311328.db2.gz BARUIYAOFZEERP-UHFFFAOYSA-N 2 0 371.488 3.518 40 30 FHEBRP