smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]c1ccc(Nc2ccccc2)cc1 5329171 343001115 /nfs/dbraw/zinc/00/11/15/343001115.db2.gz GYXXGCCWYRAYGT-UHFFFAOYSA-N 1 2 198.269 3.472 50 10 AGCALO CCCNc1ccc(N=[NH2+])cc1 109064918 343753298 /nfs/dbraw/zinc/75/32/98/343753298.db2.gz JFJBTKSABOWKKW-UHFFFAOYSA-N 1 2 163.224 3.171 50 10 AGCALO