smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)CC[C@H](NC=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000002428841 132254448 /nfs/dbraw/zinc/25/44/48/132254448.db2.gz ZNRQPEPPEXKKBY-OBIHZWKSSA-N -1 2 413.383 -0.230 50 10 HBCALM CS(=O)(=O)CC[C@@H](NC=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000002428843 132254467 /nfs/dbraw/zinc/25/44/67/132254467.db2.gz ZNRQPEPPEXKKBY-JATZPVMKSA-N -1 2 413.383 -0.230 50 10 HBCALM