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)[N-]C(=O)N(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000002428841 132254446 /nfs/dbraw/zinc/25/44/46/132254446.db2.gz ZNRQPEPPEXKKBY-OBIHZWKSSA-N -2 0 413.383 -0.230 50 10 HBCARL CS(=O)(=O)CC[C@@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000002428843 132254465 /nfs/dbraw/zinc/25/44/65/132254465.db2.gz ZNRQPEPPEXKKBY-JATZPVMKSA-N -2 0 413.383 -0.230 50 10 HBCARL