smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)c(Sc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(O)c2ccccc21 ZINC000103856108 222344842 /nfs/dbraw/zinc/34/48/42/222344842.db2.gz WLPMSQXUOVPASW-UHFFFAOYSA-N -1 2 372.358 3.002 50 5 FGBALM Nc1cc(C(=O)[O-])c(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)cc1N ZINC000025762071 494775145 /nfs/dbraw/zinc/77/51/45/494775145.db2.gz QRQZMEZFMWOVFR-UHFFFAOYSA-N -1 2 362.341 3.133 50 5 FGBALM Cc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000065549203 221232226 /nfs/dbraw/zinc/23/22/26/221232226.db2.gz PVZCHBZYDIYUSR-UHFFFAOYSA-N -1 2 364.379 3.019 50 5 FGBALM O=C([O-])CCCn1c(=O)c2sc3ccc([N+](=O)[O-])cc3c2[nH]c1=S ZINC000002961761 493827183 /nfs/dbraw/zinc/82/71/83/493827183.db2.gz UODKOQADTYDFQN-UHFFFAOYSA-N -1 2 365.392 3.047 50 5 FGBALM