smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](Cc1cc(O)c(C[N@H+](C)C2CCCCC2)cc1O)C1CCCCC1 ZINC000001680961 570504482 /nfs/dbraw/zinc/50/44/82/570504482.db2.gz UYTNPQCBQWCURC-UHFFFAOYSA-N 2 1 360.542 4.627 40 10 FJCBMP