smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](C[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000027523565 202155850 /nfs/dbraw/zinc/15/58/50/202155850.db2.gz SWJKFVWWOVUSMN-PRJMDXOYSA-N -1 0 331.225 -0.011 1 10 EBCFRM O=C([O-])CN1C(=O)CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O ZINC000045301072 202549606 /nfs/dbraw/zinc/54/96/06/202549606.db2.gz JWMBSVHDEXJJQC-ZETCQYMHSA-N -1 0 338.272 -0.865 1 10 EBCFRM O=C([O-])C1=C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)C1 ZINC000014778972 290951317 /nfs/dbraw/zinc/95/13/17/290951317.db2.gz CFCRCJAHPCJZLP-HOSYDEDBSA-N -1 0 326.257 -0.535 1 10 biogenic,in-vitro EBCFRM