smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1C(N)=O ZINC000161302079 237096079 /nfs/dbraw/zinc/09/60/79/237096079.db2.gz SZITYSJCQSCEJN-UHFFFAOYSA-N -1 0 313.310 0.770 10 70 DCIERM O=C(CNC(=O)c1cccnc1)Nc1n[nH]c(-c2ccccn2)n1 ZINC000160882966 416008692 /nfs/dbraw/zinc/00/86/92/416008692.db2.gz PDHIHLPJSZRFCZ-UHFFFAOYSA-N -1 0 323.316 0.630 10 70 DCIERM