smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(COC(=O)OC[C@H]2O[C@@H](n3cc(F)c(=O)[n-]c3=O)C[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000026484432 563028340 /nfs/dbraw/zinc/02/83/40/563028340.db2.gz OEGWLNCAGBRGCH-APHBMKBZSA-N -1 3 485.377 0.603 1 5 JCBFHM CC(C)(C)C(=O)OCCN(Cn1cc(F)c(=O)[n-]c1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000040423995 563142636 /nfs/dbraw/zinc/14/26/36/563142636.db2.gz QCYQKDURYATAFC-UHFFFAOYSA-N -1 3 472.451 0.822 1 5 JCBFHM CC(C)(C)C(=O)OCCN(Cn1cc(F)c(=O)[n-]c1=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000040950780 563159485 /nfs/dbraw/zinc/15/94/85/563159485.db2.gz WHWTYOBQLQSPBD-UHFFFAOYSA-N -1 3 472.451 0.822 1 5 JCBFHM CC(C)(C)C(=O)OCCN(Cn1cc(F)c(=O)[n-]c1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000045495417 563195562 /nfs/dbraw/zinc/19/55/62/563195562.db2.gz COXGDMPORPRQPS-UHFFFAOYSA-N -1 3 472.451 0.822 1 5 JCBFHM