smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCC[NH2+]CCC[NH2+]CCCNC1=CC(=O)c2ccccc2C1=O ZINC000101615236 219145924 /nfs/dbraw/zinc/14/59/24/219145924.db2.gz AYQOATVYKWKOHH-UHFFFAOYSA-N 3 1 344.459 0.847 1 30 ECEFMP