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([NH3+])C(=O)[O-] 21989345 166148208 /nfs/dbraw/zinc/14/82/08/166148208.db2.gz AYFKWHBRFGUCSH-YFKPBYRVSA-N 0 0 113.116 -0.272 30 30 ABECRN C=C1C[C@]1([NH3+])C(=O)[O-] 21989347 166148361 /nfs/dbraw/zinc/14/83/61/166148361.db2.gz AYFKWHBRFGUCSH-RXMQYKEDSA-N 0 0 113.116 -0.272 30 30 ABECRN