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)N1C(=O)NC(=O)C(=CN[C@@H](CC(=O)[O-])C(=O)[O-])C1=O ZINC000020567580 182233054 /nfs/dbraw/zinc/23/30/54/182233054.db2.gz OHBRVQUUQIMLBP-NGAMADIESA-N -2 1 313.266 -1.125 50 10 DACAML O=C([O-])CC[C@@H](NC=C1C(=O)[N-]C(=S)NC1=O)C(=O)[O-] ZINC000020572826 182233974 /nfs/dbraw/zinc/23/39/74/182233974.db2.gz RYNZKTFJWMZAKH-RXMQYKEDSA-N -3 1 301.280 -1.691 50 10 DACAML CC(C)N1C(=O)NC(=O)C(=CN[C@H](CC(=O)[O-])C(=O)[O-])C1=O ZINC000020567581 182233365 /nfs/dbraw/zinc/23/33/65/182233365.db2.gz OHBRVQUUQIMLBP-FXXDRWHHSA-N -2 1 313.266 -1.125 50 10 DACAML O=C([O-])CC[C@H](NC=C1C(=O)[N-]C(=S)NC1=O)C(=O)[O-] ZINC000020572829 182233790 /nfs/dbraw/zinc/23/37/90/182233790.db2.gz RYNZKTFJWMZAKH-YFKPBYRVSA-N -3 1 301.280 -1.691 50 10 DACAML