smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C[NH2+]CCCNCCO)cc1 ZINC000013733158 348030489 /nfs/dbraw/zinc/03/04/89/348030489.db2.gz HAPNBQOYGDKIHZ-UHFFFAOYSA-N 1 3 251.374 0.814 10 10 CCCEHO