smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)n1 ZINC000600654832 482647564 /nfs/dbraw/zinc/64/75/64/482647564.db2.gz GZIKYCNBZWJXBF-SSDOTTSWSA-N -2 0 361.336 -1.460 20 5 FABDRL Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)n1 ZINC000600654833 483721490 /nfs/dbraw/zinc/72/14/90/483721490.db2.gz GZIKYCNBZWJXBF-ZETCQYMHSA-N -2 0 361.336 -1.460 20 5 FABDRL O=C(COC(=O)[C@H](O)COP(=O)([O-])[O-])N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224800043 793907948 /nfs/dbraw/zinc/90/79/48/793907948.db2.gz MWOGCPYFPZYHNA-RXMQYKEDSA-N -2 0 373.167 -2.908 20 5 FABDRL