smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCO)c1cccc(O)c1[O-] 6091713 169328876 /nfs/dbraw/zinc/32/88/76/169328876.db2.gz NPGHQBAAQRJMAI-UHFFFAOYSA-N -1 3 197.190 -0.180 20 10 ABCDHM