smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1[O-]	ZINC000011990795	569303217	/nfs/dbraw/zinc/30/32/17/569303217.db2.gz	BYOFVPUEDDYENS-ZOWXZIJZSA-N	-2	0	447.416	2.631	50	5		IFBARL
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1[O-]	ZINC000011990794	569303330	/nfs/dbraw/zinc/30/33/30/569303330.db2.gz	BYOFVPUEDDYENS-HUBLWGQQSA-N	-2	0	447.416	2.631	50	5		IFBARL
O=C([O-])c1cc(NS(=O)(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000008396680	132281535	/nfs/dbraw/zinc/28/15/35/132281535.db2.gz	JYXMAIBTFWSTEV-UHFFFAOYSA-N	-2	0	449.441	2.782	50	5		IFBARL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000002060666	562925677	/nfs/dbraw/zinc/92/56/77/562925677.db2.gz	MOUDUBBAPNUGPP-UHFFFAOYSA-N	-2	0	440.484	2.653	50	5		IFBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccccc1	ZINC000009295607	569520382	/nfs/dbraw/zinc/52/03/82/569520382.db2.gz	LXRICICQXAMCST-CSKARUKUSA-N	-2	0	438.396	2.580	50	5		IFBARL
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1[O-]	ZINC000036096785	568951632	/nfs/dbraw/zinc/95/16/32/568951632.db2.gz	BYOFVPUEDDYENS-SLEUVZQESA-N	-2	0	447.416	2.631	50	5		IFBARL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1	ZINC000009849502	562977440	/nfs/dbraw/zinc/97/74/40/562977440.db2.gz	GNWKOVFWGMAISR-UHFFFAOYSA-N	-2	0	440.484	2.653	50	5		IFBARL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)cc(Br)c2[O-])[nH]1	ZINC000004020859	569458205	/nfs/dbraw/zinc/45/82/05/569458205.db2.gz	UHYWUZDDWSTLIS-OWOJBTEDSA-N	-2	0	433.012	2.785	50	5		IFBARL
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1[O-]	ZINC000036096792	568951550	/nfs/dbraw/zinc/95/15/50/568951550.db2.gz	BYOFVPUEDDYENS-YWPYICTPSA-N	-2	0	447.416	2.631	50	5		IFBARL