smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1nc(SC(=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000408630813	559222980	/nfs/dbraw/zinc/22/29/80/559222980.db2.gz	CVMJBPBEVPUKNG-DHDCSXOGSA-N	-2	3	418.406	4.282	40	5		HIBBHL
O=c1nc(C=Cc2cn(CCOc3ccccc3)c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409335538	559247715	/nfs/dbraw/zinc/24/77/15/559247715.db2.gz	OUYJHCBOYDUZOZ-ZHACJKMWSA-N	-2	3	418.409	4.000	40	5		HIBBHL
CCCc1nc(SC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[O-])n[n-]1	ZINC000213374463	569271475	/nfs/dbraw/zinc/27/14/75/569271475.db2.gz	KBFKGHKJOZIJHD-GDNBJRDFSA-N	-2	3	400.416	4.143	40	5		HIBBHL
CCc1nc(SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000408633291	559222552	/nfs/dbraw/zinc/22/25/52/559222552.db2.gz	XPLJYXUSILRKBY-ZSOIEALJSA-N	-2	3	420.834	4.407	40	5		HIBBHL
CCCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)[O-])n[n-]1	ZINC000213375377	569271596	/nfs/dbraw/zinc/27/15/96/569271596.db2.gz	LZNBYCLJVDQZTI-YBEGLDIGSA-N	-2	3	414.443	4.452	40	5		HIBBHL
CCCc1nc(SC(=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000213375028	569271572	/nfs/dbraw/zinc/27/15/72/569271572.db2.gz	KYPCXSGZHUESMW-YBEGLDIGSA-N	-2	3	414.443	4.452	40	5		HIBBHL
CCCc1nc(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)[O-])n[n-]1	ZINC000213382031	569271912	/nfs/dbraw/zinc/27/19/12/569271912.db2.gz	ILJHECYJBRNVKI-YBEGLDIGSA-N	-2	3	414.443	4.452	40	5		HIBBHL
CCc1nc(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)[O-])n[n-]1	ZINC000213400910	569271956	/nfs/dbraw/zinc/27/19/56/569271956.db2.gz	PALRSUZEBUFPSD-DHDCSXOGSA-N	-2	3	400.416	4.062	40	5		HIBBHL
CCCc1nc(SC(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)[O-])n[n-]1	ZINC000213375290	569271483	/nfs/dbraw/zinc/27/14/83/569271483.db2.gz	ZLLMHLJNDRZRJD-YBEGLDIGSA-N	-2	3	414.443	4.452	40	5		HIBBHL
CCc1nc(SC(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)[O-])n[n-]1	ZINC000213391730	569271988	/nfs/dbraw/zinc/27/19/88/569271988.db2.gz	BPDXZLMTLJTWSX-DHDCSXOGSA-N	-2	3	400.416	4.062	40	5		HIBBHL
CCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)[O-])n[n-]1	ZINC000213392076	569271940	/nfs/dbraw/zinc/27/19/40/569271940.db2.gz	MBPSEGGVBGMXFI-DHDCSXOGSA-N	-2	3	400.416	4.062	40	5		HIBBHL
CCc1nc(SC(=Cc2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000213397037	569271978	/nfs/dbraw/zinc/27/19/78/569271978.db2.gz	WCEMHRGQDDFYRG-SXGWCWSVSA-N	-2	3	414.443	4.370	40	5		HIBBHL
CCCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)[O-])n[n-]1	ZINC000213375627	569271624	/nfs/dbraw/zinc/27/16/24/569271624.db2.gz	GCWAWZRAQBLGFD-YBEGLDIGSA-N	-2	3	414.443	4.452	40	5		HIBBHL
O=C([O-])c1ccc(-c2ccc(Cl)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)o1	ZINC000226353952	568806856	/nfs/dbraw/zinc/80/68/56/568806856.db2.gz	QLWRCNQZCKHFOE-UHFFFAOYSA-N	-2	3	422.802	4.007	40	5		HIBBHL
CCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])n[n-]1	ZINC000408632784	559222451	/nfs/dbraw/zinc/22/24/51/559222451.db2.gz	SLJUEKMKVKDYID-ZSOIEALJSA-N	-2	3	420.834	4.407	40	5		HIBBHL
O=[N+]([O-])c1cc([N+](=O)[O-])c(C=C([O-])c2ccccc2)cc1C=C([O-])c1ccccc1	ZINC000003844547	568927294	/nfs/dbraw/zinc/92/72/94/568927294.db2.gz	RAWVDBOQZCINPP-UHFFFAOYSA-N	-2	3	404.378	4.354	40	5		HIBBHL
CCc1nc(SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)[O-])n[n-]1	ZINC000408632243	559222463	/nfs/dbraw/zinc/22/24/63/559222463.db2.gz	PFNXDYJRKOWVCD-ZSOIEALJSA-N	-2	3	420.834	4.407	40	5		HIBBHL
Cc1cc(Cl)c([O-])c(-c2cc(-c3ccc([N+](=O)[O-])cc3)c3c(N)[n-]c(=O)nc3n2)c1	ZINC000104312004	560850537	/nfs/dbraw/zinc/85/05/37/560850537.db2.gz	HGWZVILRAKCDRS-UHFFFAOYSA-N	-2	3	423.816	4.222	40	5		HIBBHL
CCCc1nc(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000213375206	569271490	/nfs/dbraw/zinc/27/14/90/569271490.db2.gz	FWPKFUWETSYSPV-GDNBJRDFSA-N	-2	3	400.416	4.143	40	5		HIBBHL
CCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[O-])n[n-]1	ZINC000408633067	559222621	/nfs/dbraw/zinc/22/26/21/559222621.db2.gz	VPXRZECJOZDBNY-ZSOIEALJSA-N	-2	3	420.834	4.407	40	5		HIBBHL
CCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)[O-])n[n-]1	ZINC000213391826	569271936	/nfs/dbraw/zinc/27/19/36/569271936.db2.gz	PBPRZQYQQXEVEC-DHDCSXOGSA-N	-2	3	400.416	4.062	40	5		HIBBHL