smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=c1[n-]nc2c3c4c(sc3n3c(=S)[n-]nc3n12)CN(Cc1ccccc1)CC4	ZINC000002259060	569215410	/nfs/dbraw/zinc/21/54/10/569215410.db2.gz	QAVXENAEWWZXJJ-UHFFFAOYSA-N	-2	3	425.568	3.870	50	5		IHBAHL
O=[N+]([O-])c1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1[N-]N(c1ccccc1)c1ccccc1	ZINC000004802783	557131435	/nfs/dbraw/zinc/13/14/35/557131435.db2.gz	MSZZGNKXMMKCCM-UHFFFAOYSA-N	-2	3	430.398	3.915	50	5		IHBAHL
O=c1nc(C=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000009235265	569514088	/nfs/dbraw/zinc/51/40/88/569514088.db2.gz	KBIXDCSGKIOZKA-CMDGGOBGSA-N	-2	3	440.818	3.937	50	5		IHBAHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000016349767	568877666	/nfs/dbraw/zinc/87/76/66/568877666.db2.gz	INCBBBJWEURISN-UHFFFAOYSA-N	-2	3	447.494	3.505	50	5		IHBAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000016097090	568870365	/nfs/dbraw/zinc/87/03/65/568870365.db2.gz	LQMFJQHJDFIZJQ-UHFFFAOYSA-N	-2	3	447.494	3.505	50	5		IHBAHL
COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1[O-]	ZINC000020492303	521895990	/nfs/dbraw/zinc/89/59/90/521895990.db2.gz	CTHAOARUBGIMGD-UHFFFAOYSA-N	-2	3	436.380	3.621	50	5		IHBAHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	ZINC000002989760	569433808	/nfs/dbraw/zinc/43/38/08/569433808.db2.gz	VFGFTKWOEQJAER-UHFFFAOYSA-N	-2	3	447.494	3.505	50	5		IHBAHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000014397081	557336939	/nfs/dbraw/zinc/33/69/39/557336939.db2.gz	JXVGWAAVGQUGKS-UHFFFAOYSA-N	-2	3	447.494	3.505	50	5		IHBAHL
COc1ccc(-c2ccc(C(c3c(C)[n-][nH]c3=O)c3c(C)[n-][nH]c3=O)o2)c([N+](=O)[O-])c1	ZINC000008863544	562965536	/nfs/dbraw/zinc/96/55/36/562965536.db2.gz	QFUZHGWIMLMGCQ-UHFFFAOYSA-N	-2	3	425.401	3.518	50	5		IHBAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002813912	569422856	/nfs/dbraw/zinc/42/28/56/569422856.db2.gz	YBSVDIWATUGJCI-UHFFFAOYSA-N	-2	3	447.494	3.505	50	5		IHBAHL