smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cnn1C ZINC000103507711 206234889 /nfs/dbraw/zinc/23/48/89/206234889.db2.gz KMIAUIQYGONVBM-OCCSQVGLSA-N -1 2 355.310 0.929 50 5 FCBALM COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)[O-] ZINC000009164626 207259612 /nfs/dbraw/zinc/25/96/12/207259612.db2.gz GKLOIJOZDJAZNW-DUXPYHPUSA-N -1 2 363.282 0.614 50 5 FCBALM COc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1OCC(=O)[O-] ZINC000009235101 207262476 /nfs/dbraw/zinc/26/24/76/207262476.db2.gz RJGQBXLNCXPQMA-AATRIKPKSA-N -1 2 363.282 0.614 50 5 FCBALM