smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C[C@H](NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000020589135 135721806 /nfs/dbraw/zinc/72/18/06/135721806.db2.gz DBESDXWFLZKGOX-RNKPRXRFSA-N -2 2 347.283 -0.329 50 10 EBCALL O=C([O-])C[C@@H](NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000020589132 376008803 /nfs/dbraw/zinc/00/88/03/376008803.db2.gz DBESDXWFLZKGOX-UJICNMFASA-N -2 2 347.283 -0.329 50 10 EBCALL