smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH3+] 1532612 169181951 /nfs/dbraw/zinc/18/19/51/169181951.db2.gz ATHGHQPFGPMSJY-UHFFFAOYSA-N 2 3 145.250 -0.336 50 0 endogenous,in-man ABAAHP NCCC[NH2+]CCCNCCC[NH3+] 1656877 169183671 /nfs/dbraw/zinc/18/36/71/169183671.db2.gz ZAXCZCOUDLENMH-UHFFFAOYSA-N 2 3 188.319 -0.747 50 0 in-vitro ABAAHP