smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCOP(=O)([O-])[O-]	1532692	342946626	/nfs/dbraw/zinc/94/66/26/342946626.db2.gz	YHHSONZFOIEMCP-UHFFFAOYSA-O	-1	0	184.152	-0.198	50	5	endogenous,in-man	ABBARM
COC(=O)c1n[n-]c([N+](=O)[O-])n1	1574152	168137393	/nfs/dbraw/zinc/13/73/93/168137393.db2.gz	YYOJQHLOAOGWKJ-UHFFFAOYSA-N	-1	0	172.100	-0.501	50	5		ABBARM
COc1ncc([N+](=O)[O-])c(=NN)[n-]1	5275115	168286596	/nfs/dbraw/zinc/28/65/96/168286596.db2.gz	GCJZIZNABKPEAE-UHFFFAOYSA-N	-1	0	185.143	-0.321	50	5		ABBARM
CS(=O)(=O)c1n[n-]c([N+](=O)[O-])n1	4537580	168295022	/nfs/dbraw/zinc/29/50/22/168295022.db2.gz	SILFJXOFOIYJAT-UHFFFAOYSA-N	-1	0	192.156	-0.884	50	5		ABBARM
Cc1nn2c(=O)c([N+](=O)[O-])cnc2[n-]1	1301243	168952700	/nfs/dbraw/zinc/95/27/00/168952700.db2.gz	YKTCABQFBUMIHH-UHFFFAOYSA-N	-1	0	195.138	-0.366	50	5		ABBARM
Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	26422738	169037189	/nfs/dbraw/zinc/03/71/89/169037189.db2.gz	BBJSGJKJMAIEAJ-UHFFFAOYSA-N	-1	0	198.134	-0.008	50	5		ABBARM
Cn1cc([N+](=O)[O-])c(CC(=O)[O-])n1	3035233	169043215	/nfs/dbraw/zinc/04/32/15/169043215.db2.gz	FKMNUMSEVMZIIL-UHFFFAOYSA-N	-1	0	185.139	-0.045	50	5		ABBARM
Cn1nc([N+](=O)[O-])cc1CC(=O)[O-]	72209561	169063541	/nfs/dbraw/zinc/06/35/41/169063541.db2.gz	UQCHCOCUBDFNIT-UHFFFAOYSA-N	-1	0	185.139	-0.045	50	5		ABBARM
Cn1ncc([N+](=O)[O-])c1CC(=O)[O-]	1512444	169065306	/nfs/dbraw/zinc/06/53/06/169065306.db2.gz	PZTSNNQYAWTFND-UHFFFAOYSA-N	-1	0	185.139	-0.045	50	5		ABBARM
NNc1c([O-])ccc([N+](=O)[O-])c1NN	40538118	169237621	/nfs/dbraw/zinc/23/76/21/169237621.db2.gz	DVPMGURBJKTNJB-UHFFFAOYSA-N	-1	0	199.170	-0.128	50	5		ABBARM
NN=c1nc(N)c([N+](=O)[O-])c[n-]1	37737500	169238416	/nfs/dbraw/zinc/23/84/16/169238416.db2.gz	XDGPTSQRMQYKPB-UHFFFAOYSA-N	-1	0	170.132	-0.747	50	5		ABBARM
Nc1nc(=O)[n-]cc1[N+](=O)[O-]	5438592	169304237	/nfs/dbraw/zinc/30/42/37/169304237.db2.gz	SPDBZGFVYQCVIU-UHFFFAOYSA-N	-1	0	156.101	-0.740	50	5		ABBARM
Nc1nc2nc([N+](=O)[O-])[n-]c2c(=O)[nH]1	2392230	169307922	/nfs/dbraw/zinc/30/79/22/169307922.db2.gz	IYHJRKNFFYAOGE-UHFFFAOYSA-N	-1	0	196.126	-0.863	50	5	in-vitro	ABBARM
Nc1ncc([N+](=O)[O-])c(=O)[n-]1	17003686	169309045	/nfs/dbraw/zinc/30/90/45/169309045.db2.gz	XQMCRIHJUALWCL-UHFFFAOYSA-N	-1	0	156.101	-0.740	50	5		ABBARM
O=C([O-])CC[N+](=O)[O-]	895862	169339428	/nfs/dbraw/zinc/33/94/28/169339428.db2.gz	WBLZUCOIBUDNBV-UHFFFAOYSA-N	-1	0	119.076	-0.262	50	5	endogenous,in-man	ABBARM
O=C([O-])CCn1cnc([N+](=O)[O-])n1	2537013	169339819	/nfs/dbraw/zinc/33/98/19/169339819.db2.gz	KKCPKIOXVIYZME-UHFFFAOYSA-N	-1	0	186.127	-0.339	50	5		ABBARM
O=C([O-])Cc1nc([N+](=O)[O-])n[nH]1	5624549	169344210	/nfs/dbraw/zinc/34/42/10/169344210.db2.gz	PCLPZHBFAXIPQV-UHFFFAOYSA-N	-1	0	172.100	-0.660	50	5	in-vitro	ABBARM
O=C([O-])Cn1ccnc1[N+](=O)[O-]	1567259	169344703	/nfs/dbraw/zinc/34/47/03/169344703.db2.gz	TYDGDUVFDYKZMY-UHFFFAOYSA-N	-1	0	171.112	-0.124	50	5	in-vitro	ABBARM
O=C([O-])Cn1cc([N+](=O)[O-])cn1	1103252	169344731	/nfs/dbraw/zinc/34/47/31/169344731.db2.gz	KUJDGSFHKVQDQL-UHFFFAOYSA-N	-1	0	171.112	-0.124	50	5	in-vitro	ABBARM
O=C([O-])Cc1nonc1[N+](=O)[O-]	1063084	169344872	/nfs/dbraw/zinc/34/48/72/169344872.db2.gz	FPOFATNKKIPHTR-UHFFFAOYSA-N	-1	0	173.084	-0.395	50	5		ABBARM
O=C([O-])Cn1ccc([N+](=O)[O-])n1	2381376	169345009	/nfs/dbraw/zinc/34/50/09/169345009.db2.gz	CHUMLUJOYBGBEX-UHFFFAOYSA-N	-1	0	171.112	-0.124	50	5	in-vitro	ABBARM
O=C([O-])Cn1cccc([N+](=O)[O-])c1=O	139984	169345052	/nfs/dbraw/zinc/34/50/52/169345052.db2.gz	KHEKZKBMUAPJPS-UHFFFAOYSA-N	-1	0	198.134	-0.159	50	5		ABBARM
O=C([O-])Cn1ccc(=O)c([N+](=O)[O-])c1	82164350	169345087	/nfs/dbraw/zinc/34/50/87/169345087.db2.gz	ADWAAXYMXLDLFQ-UHFFFAOYSA-N	-1	0	198.134	-0.159	50	5	in-vitro	ABBARM
O=C([O-])Cn1cc([N+](=O)[O-])ccc1=O	19401911	169345132	/nfs/dbraw/zinc/34/51/32/169345132.db2.gz	RGEADBRPQRBFBL-UHFFFAOYSA-N	-1	0	198.134	-0.159	50	5	in-vitro	ABBARM
O=C([O-])Cn1cnc([N+](=O)[O-])n1	3909520	169345302	/nfs/dbraw/zinc/34/53/02/169345302.db2.gz	JNJSKDYVVRMEPN-UHFFFAOYSA-N	-1	0	172.100	-0.729	50	5	in-vitro	ABBARM
O=C([O-])Cn1cnc([N+](=O)[O-])c1	3909524	169345355	/nfs/dbraw/zinc/34/53/55/169345355.db2.gz	QVWUPTMRLPPKJI-UHFFFAOYSA-N	-1	0	171.112	-0.124	50	5	in-vitro	ABBARM
O=C([O-])[C@@H]1C[C@@H]1[N+](=O)[O-]	5157293	169348534	/nfs/dbraw/zinc/34/85/34/169348534.db2.gz	ZWYGYMZMGJZSMM-GBXIJSLDSA-N	-1	0	131.087	-0.264	50	5	in-vitro	ABBARM
O=C([O-])[C@@H]1C[C@H]1[N+](=O)[O-]	5157273	169349725	/nfs/dbraw/zinc/34/97/25/169349725.db2.gz	ZWYGYMZMGJZSMM-PWNYCUMCSA-N	-1	0	131.087	-0.264	50	5	in-vitro	ABBARM
O=C([O-])[C@H]1C[C@@H]1[N+](=O)[O-]	5157126	169353841	/nfs/dbraw/zinc/35/38/41/169353841.db2.gz	ZWYGYMZMGJZSMM-HRFVKAFMSA-N	-1	0	131.087	-0.264	50	5	in-vitro	ABBARM
O=C([O-])[C@H]1C[C@H]1[N+](=O)[O-]	5157085	169354763	/nfs/dbraw/zinc/35/47/63/169354763.db2.gz	ZWYGYMZMGJZSMM-STHAYSLISA-N	-1	0	131.087	-0.264	50	5	in-vitro	ABBARM
O=C([O-])c1c[nH]c(=O)c([N+](=O)[O-])c1	1683866	169355393	/nfs/dbraw/zinc/35/53/93/169355393.db2.gz	VJMXJGVEVASJOD-UHFFFAOYSA-N	-1	0	184.107	-0.019	50	5	in-vitro	ABBARM
O=C([O-])c1c[n+]([O-])ccc1[N+](=O)[O-]	1682591	169355498	/nfs/dbraw/zinc/35/54/98/169355498.db2.gz	OYLXIYDCLHUDQV-UHFFFAOYSA-N	-1	0	184.107	-0.074	50	5		ABBARM
O=C([O-])c1c[nH]cc([N+](=O)[O-])c1=O	71254820	169355920	/nfs/dbraw/zinc/35/59/20/169355920.db2.gz	BFJYTSVHYIMQLP-UHFFFAOYSA-N	-1	0	184.107	-0.019	50	5		ABBARM
O=C([O-])c1cc([N+](=O)[O-])cc[n+]1[O-]	1691452	169356560	/nfs/dbraw/zinc/35/65/60/169356560.db2.gz	KKYQRQZYRFVFTG-UHFFFAOYSA-N	-1	0	184.107	-0.074	50	5		ABBARM
O=[N+]([O-])c1cc[n+]([O-])cc1[O-]	85210012	169413440	/nfs/dbraw/zinc/41/34/40/169413440.db2.gz	NDYDYCFFKFQTPA-UHFFFAOYSA-N	-1	0	156.097	-0.066	50	5		ABBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c[nH]1	967347	169416783	/nfs/dbraw/zinc/41/67/83/169416783.db2.gz	TUARVSWVPPVUGS-UHFFFAOYSA-N	-1	0	157.085	-0.616	50	5	in-vitro	ABBARM
O=C([O-])c1n[nH]nc1[N+](=O)[O-]	4342478	171013093	/nfs/dbraw/zinc/01/30/93/171013093.db2.gz	KUSAQLMAEMVDRO-UHFFFAOYSA-N	-1	0	158.073	-0.589	50	5		ABBARM
O=c1[n-]c([N+](=O)[O-])n[nH]1	5030609	171015034	/nfs/dbraw/zinc/01/50/34/171015034.db2.gz	QJTIRVUEVSKJTK-UHFFFAOYSA-N	-1	0	130.063	-0.582	50	5	in-vitro	ABBARM
O=c1[nH]cnc([O-])c1[N+](=O)[O-]	8615382	171022206	/nfs/dbraw/zinc/02/22/06/171022206.db2.gz	ABTLZAVJDRUDNG-UHFFFAOYSA-N	-1	0	157.085	-0.204	50	5	in-vitro	ABBARM
O=c1[nH][n-]cc([N+](=O)[O-])c1=O	9646749	171022737	/nfs/dbraw/zinc/02/27/37/171022737.db2.gz	ZRZQHOGQSIIRGL-UHFFFAOYSA-N	-1	0	157.085	-0.616	50	5	in-vitro	ABBARM
NC(=O)c1nc([N+](=O)[O-])c[n-]c1=O	77011398	171119586	/nfs/dbraw/zinc/11/95/86/171119586.db2.gz	OSFLEHUTGSKIPE-UHFFFAOYSA-N	-1	0	184.111	-0.811	50	5		ABBARM
C[N+](C)([O-])CP(=O)([O-])[O-]	2124516	171162085	/nfs/dbraw/zinc/16/20/85/171162085.db2.gz	KVIRBRMUPUQCCD-UHFFFAOYSA-N	-1	0	155.090	-0.304	50	5	biogenic	ABBARM
O=[N+]([O-])c1c[n+]([O-])ccc1[O-]	1673494	342956817	/nfs/dbraw/zinc/95/68/17/342956817.db2.gz	GFWANJBZRUUAPA-UHFFFAOYSA-N	-1	0	156.097	-0.066	50	5	in-vitro	ABBARM
Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	3898526	342986049	/nfs/dbraw/zinc/98/60/49/342986049.db2.gz	LIVYMRJSNFHYEN-UHFFFAOYSA-N	-1	0	171.112	-0.720	50	5	in-vitro	ABBARM
Cc1nc(N)[n-]c(=O)c1[N+](=O)[O-]	17328380	343046218	/nfs/dbraw/zinc/04/62/18/343046218.db2.gz	PFTYCGMGNJVFIX-UHFFFAOYSA-N	-1	0	170.128	-0.431	50	5	in-vitro	ABBARM
Cc1nc2[n-]cnn2c(=O)c1[N+](=O)[O-]	100020031	343708963	/nfs/dbraw/zinc/70/89/63/343708963.db2.gz	VUZRUCMCZNGSSM-UHFFFAOYSA-N	-1	0	195.138	-0.366	50	5		ABBARM
Cc1cc(=O)n2nc([N+](=O)[O-])[n-]c2n1	100880320	371661279	/nfs/dbraw/zinc/66/12/79/371661279.db2.gz	DYZDHVCZUXJGAG-UHFFFAOYSA-N	-1	0	195.138	-0.366	50	5		ABBARM
O=[N+]([O-])c1cnn(-c2nn[n-]n2)c1	4558147	1424688625	/nfs/dbraw/zinc/68/86/25/1424688625.db2.gz	GXYHAXRKDBDRRF-UHFFFAOYSA-N	-1	0	181.115	-0.706	50	5		ABBARM
Cc1[n-]n2cnnc2c(=O)c1[N+](=O)[O-]	136312682	1169193953	/nfs/dbraw/zinc/19/39/53/1169193953.db2.gz	VKOFTVDOILJWOW-UHFFFAOYSA-N	-1	0	195.138	-0.366	50	5		ABBARM