smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2cc(C)ccc2[nH]c1CN1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000218179197 497001207 /nfs/dbraw/zinc/00/12/07/497001207.db2.gz CAZZVHIYIREXAE-UHFFFAOYSA-N 1 3 355.526 3.455 50 70 FGIAHO