smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)CC[C@@H](Br)C(=O)[O-] ZINC000218547274 620775618 /nfs/dbraw/zinc/77/56/18/620775618.db2.gz SEHDFHDZQPVZPP-ZCFIWIBFSA-N -1 0 267.119 1.956 10 50 CDGERM