smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](Cc1c[nH]c2ccccc12)Cc1c(O)ccc2ccccc21 ZINC000001569518 568412281 /nfs/dbraw/zinc/41/22/81/568412281.db2.gz AGJVTQPICZNUFO-UHFFFAOYSA-N 0 1 316.404 4.659 40 10 DJCBMN CC1=CC(=O)C(=[NH+][N-]c2ccc([N+](=O)[O-])cc2)c2ccc(N)cc21 ZINC000003844588 181048356 /nfs/dbraw/zinc/04/83/56/181048356.db2.gz UCHAXONIICBPLP-FMQUCBEESA-N 0 1 322.324 4.760 40 10 DJCBMN