smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000037011453 174949401 /nfs/dbraw/zinc/94/94/01/174949401.db2.gz AEDVAGWYAKIOIM-UHFFFAOYSA-N -2 1 213.145 1.007 50 5 in-vitro BDBAML O=c1[n-]cc(Br)c([O-])c1[N+](=O)[O-] ZINC000005491119 385132199 /nfs/dbraw/zinc/13/21/99/385132199.db2.gz PUAJVHSNEHQMNU-UHFFFAOYSA-N -2 1 234.993 1.164 50 5 BDBAML COc1cc([N+](=O)[O-])c(C(=O)[O-])cc1[O-] ZINC000012480445 175017652 /nfs/dbraw/zinc/01/76/52/175017652.db2.gz VAFJDIUJDDCMHN-UHFFFAOYSA-N -2 1 213.145 1.007 50 5 BDBAML CC(=O)c1cc([N+](=O)[O-])c([O-])c(C)c1[O-] ZINC000003080698 388363504 /nfs/dbraw/zinc/36/35/04/388363504.db2.gz PIYDSCSXFORFEA-UHFFFAOYSA-N -2 1 211.173 1.517 50 5 BDBAML