smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)C1	ZINC000521729132	929393141	/nfs/dbraw/zinc/39/31/41/929393141.db2.gz	KONSTJKBESVGTO-WMLDXEAASA-N	-2	3	420.487	4.197	20	5		HIBDHL
C[C@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)C1	ZINC000521729134	929393695	/nfs/dbraw/zinc/39/36/95/929393695.db2.gz	KONSTJKBESVGTO-YOEHRIQHSA-N	-2	3	420.487	4.197	20	5		HIBDHL
C[C@@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)C1	ZINC000521729130	929393340	/nfs/dbraw/zinc/39/33/40/929393340.db2.gz	KONSTJKBESVGTO-PBHICJAKSA-N	-2	3	420.487	4.197	20	5		HIBDHL
O=c1[n-]c(-c2ccc([O-])c(I)c2)nc2cc3ccccc3cc12	ZINC000436752497	861934960	/nfs/dbraw/zinc/93/49/60/861934960.db2.gz	RPFDNCYDPIXGFU-UHFFFAOYSA-N	-2	3	414.202	4.466	20	5		HIBDHL
CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000425959805	856018613	/nfs/dbraw/zinc/01/86/13/856018613.db2.gz	UNHZKQZEUKUIFY-UHFFFAOYSA-N	-2	3	408.476	4.115	20	5		HIBDHL
Cc1csc(Sc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)n1	ZINC000515837084	923383903	/nfs/dbraw/zinc/38/39/03/923383903.db2.gz	XTXWXPDMZGSCOH-UHFFFAOYSA-N	-2	3	423.497	4.017	20	5		HIBDHL
C[C@@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)C1	ZINC000521729131	929392898	/nfs/dbraw/zinc/39/28/98/929392898.db2.gz	KONSTJKBESVGTO-RHSMWYFYSA-N	-2	3	420.487	4.197	20	5		HIBDHL
O=c1[n-]c(-c2ccc(I)c([O-])c2)nc2cc3ccccc3cc12	ZINC000538430564	938618466	/nfs/dbraw/zinc/61/84/66/938618466.db2.gz	KRYVACRDDTWYEZ-UHFFFAOYSA-N	-2	3	414.202	4.466	20	5		HIBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC(C)(C)C)c1C	ZINC000499280895	908660843	/nfs/dbraw/zinc/66/08/43/908660843.db2.gz	NAOBUPIDKUPUFD-UHFFFAOYSA-N	-2	3	408.476	4.033	20	5		HIBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)ccc1[O-]	ZINC000409873021	855699025	/nfs/dbraw/zinc/69/90/25/855699025.db2.gz	XQEODMVXTFOXQU-UHFFFAOYSA-N	-2	3	412.851	4.076	20	5		HIBDHL
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O	ZINC000430563565	858219663	/nfs/dbraw/zinc/21/96/63/858219663.db2.gz	JFFOXFGMXCWACQ-UHFFFAOYSA-N	-2	3	417.377	4.187	20	5		HIBDHL