smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1C[C@@]1(N)C(=O)[O-] 21989345 166148216 /nfs/dbraw/zinc/14/82/16/166148216.db2.gz AYFKWHBRFGUCSH-YFKPBYRVSA-N -1 3 113.116 -0.272 30 30 ABECHM C=C1C[C@]1(N)C(=O)[O-] 21989347 166148366 /nfs/dbraw/zinc/14/83/66/166148366.db2.gz AYFKWHBRFGUCSH-RXMQYKEDSA-N -1 3 113.116 -0.272 30 30 ABECHM