smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Oc1cccc(O)c1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001225619541 974597921 /nfs/dbraw/zinc/59/79/21/974597921.db2.gz CDLVXNUIDAANKD-VIFPVBQESA-N -1 2 246.242 2.768 20 5 BFBDLM CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000338922450 344591094 /nfs/dbraw/zinc/59/10/94/344591094.db2.gz XTVHBDMVIIPUBY-UHFFFAOYSA-N -1 2 238.287 2.531 20 5 BFBDLM C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001225619540 974596886 /nfs/dbraw/zinc/59/68/86/974596886.db2.gz CDLVXNUIDAANKD-SECBINFHSA-N -1 2 246.242 2.768 20 5 BFBDLM