smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc2c(ccc3ncccc32)c[n-]1	117700029	1188777850	/nfs/dbraw/zinc/77/78/50/1188777850.db2.gz	QZGXKHLZLRKTOV-UHFFFAOYSA-N	-1	3	197.197	1.471	50	5		ADBAHM
Cc1ccc([N+](=O)[O-])cc1[O-]	164798	342930529	/nfs/dbraw/zinc/93/05/29/342930529.db2.gz	UMFDLIXUUJMPSI-UHFFFAOYSA-N	-1	3	153.137	1.609	50	5	in-vitro	ADBAHM
Cc1cc([N+](=O)[O-])cc(N)c1[O-]	33846140	343107346	/nfs/dbraw/zinc/10/73/46/343107346.db2.gz	ZDMBLPBTZZZSIW-UHFFFAOYSA-N	-1	3	168.152	1.191	50	5	in-vitro	ADBAHM
Cc1cc([O-])c(N)c(C)c1[N+](=O)[O-]	96345783	343696868	/nfs/dbraw/zinc/69/68/68/343696868.db2.gz	XSVSVJVKDMOQFS-UHFFFAOYSA-N	-1	3	182.179	1.499	50	5		ADBAHM
CC(=O)Nc1ccc([O-])cc1[N+](=O)[O-]	5698911	166284066	/nfs/dbraw/zinc/28/40/66/166284066.db2.gz	OZZKMZSOGAOIFX-UHFFFAOYSA-N	-1	3	196.162	1.259	50	5	in-vitro	ADBAHM
COC(=O)c1c([O-])cccc1[N+](=O)[O-]	95932968	168126858	/nfs/dbraw/zinc/12/68/58/168126858.db2.gz	VGRACNKLIBCDHG-UHFFFAOYSA-N	-1	3	197.146	1.087	50	5		ADBAHM
COC(=O)c1ccc([N+](=O)[O-])cc1[O-]	1648954	168133103	/nfs/dbraw/zinc/13/31/03/168133103.db2.gz	DODUOCYKSQVFSW-UHFFFAOYSA-N	-1	3	197.146	1.087	50	5	in-vitro	ADBAHM
COc1cc([N+](=O)[O-])cc([O-])c1OC	91296993	168241293	/nfs/dbraw/zinc/24/12/93/168241293.db2.gz	OHKOOWDMYYNFBX-UHFFFAOYSA-N	-1	3	199.162	1.318	50	5		ADBAHM
COc1ccc([N+](=O)[O-])cc1[O-]	295034	168260742	/nfs/dbraw/zinc/26/07/42/168260742.db2.gz	KXKCTSZYNCDFFG-UHFFFAOYSA-N	-1	3	169.136	1.309	50	5	in-vitro	ADBAHM
Nc1cc(Cl)c([N+](=O)[O-])cc1[O-]	4411144	169286649	/nfs/dbraw/zinc/28/66/49/169286649.db2.gz	ZARYBZGMUVAJMK-UHFFFAOYSA-N	-1	3	188.570	1.536	50	5	in-vitro	ADBAHM
O=[N+]([O-])/C=C/c1ccccc1[O-]	1688684	171000922	/nfs/dbraw/zinc/00/09/22/171000922.db2.gz	PMDYAIGGZBRBFX-AATRIKPKSA-N	-1	3	165.148	1.640	50	5	in-vitro	ADBAHM
O=[N+]([O-])c1cc([O-])cc2cccnc12	1747022	171002157	/nfs/dbraw/zinc/00/21/57/171002157.db2.gz	AZDVQVFOHUFHOP-UHFFFAOYSA-N	-1	3	190.158	1.849	50	5		ADBAHM
O=[N+]([O-])c1[n-]cnc1Br	4714979	171014216	/nfs/dbraw/zinc/01/42/16/171014216.db2.gz	KSEFBYAEHWXHLM-UHFFFAOYSA-N	-1	3	191.972	1.080	50	5	in-vitro	ADBAHM
O=[N+]([O-])c1nc[n-]c1Br	4714979	171014217	/nfs/dbraw/zinc/01/42/17/171014217.db2.gz	KSEFBYAEHWXHLM-UHFFFAOYSA-N	-1	3	191.972	1.080	50	5	in-vitro	ADBAHM
COc1ccc([O-])cc1[N+](=O)[O-]	8700313	171021914	/nfs/dbraw/zinc/02/19/14/171021914.db2.gz	AADXAMFLYDYIFS-UHFFFAOYSA-N	-1	3	169.136	1.309	50	5	in-vitro	ADBAHM
O=[N+]([O-])c1cnc(Br)[n-]1	5425250	207351030	/nfs/dbraw/zinc/35/10/30/207351030.db2.gz	UWRJWMLKEHRGOH-UHFFFAOYSA-N	-1	3	191.972	1.080	50	5		ADBAHM
O=[N+]([O-])c1c[n-]c(Br)n1	5425250	207351032	/nfs/dbraw/zinc/35/10/32/207351032.db2.gz	UWRJWMLKEHRGOH-UHFFFAOYSA-N	-1	3	191.972	1.080	50	5		ADBAHM
O=[N+]([O-])/C=C/c1ccc([O-])cc1	39663	342924632	/nfs/dbraw/zinc/92/46/32/342924632.db2.gz	CTJKRKMPTRJAIT-AATRIKPKSA-N	-1	3	165.148	1.640	50	5	in-vivo	ADBAHM
Cc1c([O-])cccc1[N+](=O)[O-]	163570	342930486	/nfs/dbraw/zinc/93/04/86/342930486.db2.gz	GAKLFAZBKQGUBO-UHFFFAOYSA-N	-1	3	153.137	1.609	50	5	in-vitro	ADBAHM
Cc1cc([O-])cc([N+](=O)[O-])c1	1672511	342956352	/nfs/dbraw/zinc/95/63/52/342956352.db2.gz	KDKCEPVMXOUFJD-UHFFFAOYSA-N	-1	3	153.137	1.609	50	5	in-vitro	ADBAHM
Cc1ccc([O-])cc1[N+](=O)[O-]	1672516	342956453	/nfs/dbraw/zinc/95/64/53/342956453.db2.gz	BQEXDUKMTVYBRK-UHFFFAOYSA-N	-1	3	153.137	1.609	50	5	in-vitro	ADBAHM
Cc1ccc2[n-]nnc2c1[N+](=O)[O-]	4023767	342986497	/nfs/dbraw/zinc/98/64/97/342986497.db2.gz	YVEWJXYTEMEKTG-UHFFFAOYSA-N	-1	3	178.151	1.175	50	5		ADBAHM
Cc1ccc2nn[n-]c2c1[N+](=O)[O-]	4023767	342986498	/nfs/dbraw/zinc/98/64/98/342986498.db2.gz	YVEWJXYTEMEKTG-UHFFFAOYSA-N	-1	3	178.151	1.175	50	5		ADBAHM
Cc1ccc2n[n-]nc2c1[N+](=O)[O-]	4023767	342986501	/nfs/dbraw/zinc/98/65/01/342986501.db2.gz	YVEWJXYTEMEKTG-UHFFFAOYSA-N	-1	3	178.151	1.175	50	5		ADBAHM
Cc1ccc([N+](=O)[O-])c(C)c1[O-]	5781234	343008411	/nfs/dbraw/zinc/00/84/11/343008411.db2.gz	TZASZCQVZPLXHP-UHFFFAOYSA-N	-1	3	167.164	1.917	50	5	in-vitro	ADBAHM
Cc1cc([O-])cc([N+](=O)[O-])c1C	14986280	343040995	/nfs/dbraw/zinc/04/09/95/343040995.db2.gz	HKQSKINMCHAPPJ-UHFFFAOYSA-N	-1	3	167.164	1.917	50	5	in-vitro	ADBAHM
Cc1cc(F)c([N+](=O)[O-])cc1[O-]	34499488	343120416	/nfs/dbraw/zinc/12/04/16/343120416.db2.gz	RSHVJZUBABFJRL-UHFFFAOYSA-N	-1	3	171.127	1.748	50	5	in-vitro	ADBAHM
CCc1ccc([N+](=O)[O-])cc1[O-]	39133644	343203357	/nfs/dbraw/zinc/20/33/57/343203357.db2.gz	CQFIMSVIDUTMLT-UHFFFAOYSA-N	-1	3	167.164	1.863	50	5		ADBAHM
Cc1cc(C)c([N+](=O)[O-])cc1[O-]	39133577	343203373	/nfs/dbraw/zinc/20/33/73/343203373.db2.gz	OMVAMPJZESGWII-UHFFFAOYSA-N	-1	3	167.164	1.917	50	5		ADBAHM
CN(C)c1ccc([O-])cc1[N+](=O)[O-]	72194404	343560723	/nfs/dbraw/zinc/56/07/23/343560723.db2.gz	NGGPMGZIWRXMGU-UHFFFAOYSA-N	-1	3	182.179	1.366	50	5		ADBAHM
O=[N+]([O-])c1ccc2c(F)[n-]nc2c1	140007748	343997375	/nfs/dbraw/zinc/99/73/75/343997375.db2.gz	SLHOJJOAGOHGNL-UHFFFAOYSA-N	-1	3	181.126	1.610	50	5		ADBAHM
O=[N+]([O-])c1ccc2c(F)n[n-]c2c1	140007748	343997378	/nfs/dbraw/zinc/99/73/78/343997378.db2.gz	SLHOJJOAGOHGNL-UHFFFAOYSA-N	-1	3	181.126	1.610	50	5		ADBAHM
O=c1[n-]c2c(cc1[N+](=O)[O-])CCCC2	1506979	351286465	/nfs/dbraw/zinc/28/64/65/351286465.db2.gz	WDLQZGPOKQZCII-UHFFFAOYSA-N	-1	3	194.190	1.162	50	5		ADBAHM
O=[N+]([O-])/C=C\c1ccccc1[O-]	5063983	351337807	/nfs/dbraw/zinc/33/78/07/351337807.db2.gz	PMDYAIGGZBRBFX-WAYWQWQTSA-N	-1	3	165.148	1.640	50	5		ADBAHM
O=[N+]([O-])/C=C\c1ccc([O-])cc1	8617556	351355987	/nfs/dbraw/zinc/35/59/87/351355987.db2.gz	CTJKRKMPTRJAIT-WAYWQWQTSA-N	-1	3	165.148	1.640	50	5		ADBAHM
O=c1[nH][n-]c2cc([N+](=O)[O-])ccc12	14983612	351376462	/nfs/dbraw/zinc/37/64/62/351376462.db2.gz	BNLMXABHKLAIAG-UHFFFAOYSA-N	-1	3	179.135	1.177	50	5	in-vitro	ADBAHM
O=Cc1n[n-]c2cc([N+](=O)[O-])ccc12	14984575	351377236	/nfs/dbraw/zinc/37/72/36/351377236.db2.gz	UYPSMSUYMARCRX-UHFFFAOYSA-N	-1	3	191.146	1.284	50	5	in-vitro	ADBAHM
O=Cc1[n-]nc2cc([N+](=O)[O-])ccc12	14984575	351377238	/nfs/dbraw/zinc/37/72/38/351377238.db2.gz	UYPSMSUYMARCRX-UHFFFAOYSA-N	-1	3	191.146	1.284	50	5	in-vitro	ADBAHM
O=c1[n-]c2c([N+](=O)[O-])cccc2o1	34770596	351445775	/nfs/dbraw/zinc/44/57/75/351445775.db2.gz	IXZMRVOOBBPFIZ-UHFFFAOYSA-N	-1	3	180.119	1.442	50	5		ADBAHM
O=[N+]([O-])c1cncc(Cl)c1[O-]	35270277	351449265	/nfs/dbraw/zinc/44/92/65/351449265.db2.gz	VEOKYVSPRSTYHS-UHFFFAOYSA-N	-1	3	174.543	1.349	50	5	in-vitro	ADBAHM
O=c1c(Cl)c[n-]cc1[N+](=O)[O-]	35270277	351449271	/nfs/dbraw/zinc/44/92/71/351449271.db2.gz	VEOKYVSPRSTYHS-UHFFFAOYSA-N	-1	3	174.543	1.349	50	5	in-vitro	ADBAHM
CCOc1ccc([O-])cc1[N+](=O)[O-]	162103337	351760636	/nfs/dbraw/zinc/76/06/36/351760636.db2.gz	HULHXYZRPSYIKR-UHFFFAOYSA-N	-1	3	183.163	1.699	50	5		ADBAHM