smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC(=O)CSc2nc3ccc(Br)cc3c3[nH+]c4ccccc4n32)n[nH]1 ZINC000009473201 555255844 /nfs/dbraw/zinc/25/58/44/555255844.db2.gz IHQDAUZGMHCIBD-UHFFFAOYSA-N 1 2 467.352 4.561 10 5 JJBELO Cc1[nH+]c(-c2cccc(C(F)(F)F)c2)nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000035889418 569721601 /nfs/dbraw/zinc/72/16/01/569721601.db2.gz CUHPXBCDNVKRBC-UHFFFAOYSA-N 1 2 485.466 4.650 10 5 JJBELO