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+]CCCCC[NH3+] 2020054 169180410 /nfs/dbraw/zinc/18/04/10/169180410.db2.gz QZBYOYPROVGOGE-UHFFFAOYSA-N 2 3 159.277 0.054 50 0 endogenous,in-man ACAAHP NCCC[NH2+]C1CCC([NH3+])CC1 13550046 169183576 /nfs/dbraw/zinc/18/35/76/169183576.db2.gz QIMPCSMJRMPRJC-UHFFFAOYSA-N 2 3 171.288 0.195 50 0 in-vitro ACAAHP