smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]Cc3ccccc3O)O2)no1)Cc1ccccc1 ZINC000096268989 130004175 /nfs/dbraw/zinc/00/41/75/130004175.db2.gz YHYJXVIEQWCWRM-UCGXPXSYSA-N 2 1 451.567 3.253 40 10 biogenic,in-vitro JGCBMP C[N@@H+](Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]Cc3ccccc3O)O2)no1)Cc1ccccc1 ZINC000096268989 130004177 /nfs/dbraw/zinc/00/41/77/130004177.db2.gz YHYJXVIEQWCWRM-UCGXPXSYSA-N 2 1 451.567 3.253 40 10 biogenic,in-vitro JGCBMP