smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1	20286565	1423773470	/nfs/dbraw/zinc/77/34/70/1423773470.db2.gz	MIUOBAHGBPSRKY-UHFFFAOYSA-N	-1	1	191.150	0.775	50	5	in-vitro	ACBAMM
O=[N+]([O-])c1ccccc1-c1nnn[n-]1	32313328	1423971146	/nfs/dbraw/zinc/97/11/46/1423971146.db2.gz	HENCYJMPEDACFZ-UHFFFAOYSA-N	-1	1	191.150	0.775	50	5	in-vitro	ACBAMM
CCOC(=O)c1nc([N+](=O)[O-])c[n-]1	66348638	167378261	/nfs/dbraw/zinc/37/82/61/167378261.db2.gz	YSVPLWXCZZORIO-UHFFFAOYSA-N	-1	1	185.139	0.495	50	5	in-vitro	ACBAMM
CCOC(=O)c1[n-]cnc1[N+](=O)[O-]	1414608	167378817	/nfs/dbraw/zinc/37/88/17/167378817.db2.gz	JFHZQABGMJXACV-UHFFFAOYSA-N	-1	1	185.139	0.495	50	5	in-vitro	ACBAMM
COC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	8699911	168127640	/nfs/dbraw/zinc/12/76/40/168127640.db2.gz	ILGFGEIQCLRIBI-UHFFFAOYSA-N	-1	1	198.134	0.070	50	5	in-vitro	ACBAMM
COC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	12471476	168130024	/nfs/dbraw/zinc/13/00/24/168130024.db2.gz	DLMMETCUQGSGOK-UHFFFAOYSA-N	-1	1	198.134	0.070	50	5	in-vitro	ACBAMM
COC(=O)c1c[n-]cc([N+](=O)[O-])c1=O	47202400	168135356	/nfs/dbraw/zinc/13/53/56/168135356.db2.gz	KRJYDSXOTMFXQV-UHFFFAOYSA-N	-1	1	198.134	0.482	50	5	in-vitro	ACBAMM
COC(=O)c1cncc([N+](=O)[O-])c1[O-]	47202400	168135359	/nfs/dbraw/zinc/13/53/59/168135359.db2.gz	KRJYDSXOTMFXQV-UHFFFAOYSA-N	-1	1	198.134	0.482	50	5	in-vitro	ACBAMM
COC(=O)c1[n-]cnc1[N+](=O)[O-]	4344034	168137129	/nfs/dbraw/zinc/13/71/29/168137129.db2.gz	YGTWILAKCGDEML-UHFFFAOYSA-N	-1	1	171.112	0.105	50	5	in-vitro	ACBAMM
COc1n[nH]c(C(=O)[O-])c1[N+](=O)[O-]	3908365	168282386	/nfs/dbraw/zinc/28/23/86/168282386.db2.gz	HJFXXMSEEKEXMZ-UHFFFAOYSA-N	-1	1	187.111	0.025	50	5	in-vitro	ACBAMM
N[C@@H](C(=O)[O-])c1ccccc1[N+](=O)[O-]	26894896	169242139	/nfs/dbraw/zinc/24/21/39/169242139.db2.gz	CEBXNGWSHWJBHX-SSDOTTSWSA-N	-1	1	196.162	0.679	50	5	in-vitro	ACBAMM
N[C@H](C(=O)[O-])c1ccccc1[N+](=O)[O-]	26894899	169263762	/nfs/dbraw/zinc/26/37/62/169263762.db2.gz	CEBXNGWSHWJBHX-ZETCQYMHSA-N	-1	1	196.162	0.679	50	5	in-vitro	ACBAMM
Nc1cc(O)c([N+](=O)[O-])cc1C(=O)[O-]	39084497	169287027	/nfs/dbraw/zinc/28/70/27/169287027.db2.gz	LRSAVIYRSAMFRJ-UHFFFAOYSA-N	-1	1	198.134	0.581	50	5	in-vitro	ACBAMM
Nc1cc([N+](=O)[O-])ccc1[O-]	35051195	169288626	/nfs/dbraw/zinc/28/86/26/169288626.db2.gz	VLZVIIYRNMWPSN-UHFFFAOYSA-N	-1	1	154.125	0.883	50	5	in-vitro	ACBAMM
Nc1cc([N+](=O)[O-])c([O-])cc1O	21300682	169288993	/nfs/dbraw/zinc/28/89/93/169288993.db2.gz	SENSPHQXKYKAHQ-UHFFFAOYSA-N	-1	1	170.124	0.588	50	5		ACBAMM
Nc1ccc([O-])c([N+](=O)[O-])c1	25723529	169292423	/nfs/dbraw/zinc/29/24/23/169292423.db2.gz	WHODQVWERNSQEO-UHFFFAOYSA-N	-1	1	154.125	0.883	50	5	in-vitro	ACBAMM
Nc1cccc([N+](=O)[O-])c1[O-]	35974094	169297812	/nfs/dbraw/zinc/29/78/12/169297812.db2.gz	AACMNEWXGKOJJK-UHFFFAOYSA-N	-1	1	154.125	0.883	50	5	in-vitro	ACBAMM
Nc1ncc([N+](=O)[O-])cc1[O-]	33845737	169308485	/nfs/dbraw/zinc/30/84/85/169308485.db2.gz	UXLVADZLQKGFIG-UHFFFAOYSA-N	-1	1	155.113	0.278	50	5	in-vitro	ACBAMM
O=C([O-])c1cc(O)ccc1[N+](=O)[O-]	163338	169356750	/nfs/dbraw/zinc/35/67/50/169356750.db2.gz	BUHKQTKKZAXSMH-UHFFFAOYSA-N	-1	1	183.119	0.999	50	5	in-vitro	ACBAMM
O=C([O-])c1cc([N+](=O)[O-])c(O)cc1O	39289825	169356949	/nfs/dbraw/zinc/35/69/49/169356949.db2.gz	DVHFWKCHUQZGSF-UHFFFAOYSA-N	-1	1	199.118	0.704	50	5	in-vitro	ACBAMM
O=C([O-])c1ccc(O)c([N+](=O)[O-])c1	156013	169358357	/nfs/dbraw/zinc/35/83/57/169358357.db2.gz	QRYSWXFQLFLJTC-UHFFFAOYSA-N	-1	1	183.119	0.999	50	5	in-vitro	ACBAMM
O=C([O-])c1cccc([N+](=O)[O-])c1O	1555336	169358684	/nfs/dbraw/zinc/35/86/84/169358684.db2.gz	WWWFHFGUOIQNJC-UHFFFAOYSA-N	-1	1	183.119	0.999	50	5	in-vitro	ACBAMM
O=C1[N-]C(=O)c2cc([N+](=O)[O-])ccc21	105138	169385119	/nfs/dbraw/zinc/38/51/19/169385119.db2.gz	ANYWGXDASKQYAD-UHFFFAOYSA-N	-1	1	192.130	0.478	50	5	in-vitro	ACBAMM
O=C1[N-]c2c(cccc2[N+](=O)[O-])C1=O	5945431	169389314	/nfs/dbraw/zinc/38/93/14/169389314.db2.gz	GVZRFFXBGZSJTH-UHFFFAOYSA-N	-1	1	192.130	0.730	50	5	in-vitro	ACBAMM
O=C([O-])Cc1cc([N+](=O)[O-])ccc1O	2529221	171007007	/nfs/dbraw/zinc/00/70/07/171007007.db2.gz	ORXCFNAIXBBSJC-UHFFFAOYSA-N	-1	1	197.146	0.928	50	5	in-vitro	ACBAMM
O=c1[nH]ccc([O-])c1[N+](=O)[O-]	12360011	171025472	/nfs/dbraw/zinc/02/54/72/171025472.db2.gz	BKYGVGWYPFVKTK-UHFFFAOYSA-N	-1	1	156.097	0.401	50	5	in-vitro	ACBAMM
O=[N+]([O-])c1cc([O-])cc(CO)c1	95093402	171135868	/nfs/dbraw/zinc/13/58/68/171135868.db2.gz	YMZVBCSTUGYGBQ-UHFFFAOYSA-N	-1	1	169.136	0.793	50	5	in-vitro	ACBAMM
O=[N+]([O-])c1ncc[n-]1	1481980	171206551	/nfs/dbraw/zinc/20/65/51/171206551.db2.gz	YZEUHQHUFTYLPH-UHFFFAOYSA-N	-1	1	113.076	0.318	50	5	in-vitro	ACBAMM
O=[N+]([O-])c1cnc([N+](=O)[O-])[n-]1	5425252	207350800	/nfs/dbraw/zinc/35/08/00/207350800.db2.gz	FLDSOXFRYVOGFK-UHFFFAOYSA-N	-1	1	158.073	0.226	50	5	in-vitro	ACBAMM
Cc1nn2cnnc2c([O-])c1[N+](=O)[O-]	9604742	343021767	/nfs/dbraw/zinc/02/17/67/343021767.db2.gz	JUKLLSSTXFKKBF-UHFFFAOYSA-N	-1	1	195.138	0.047	50	5		ACBAMM
Cc1nc(O)cc([O-])c1[N+](=O)[O-]	39402288	343211933	/nfs/dbraw/zinc/21/19/33/343211933.db2.gz	CIUJVYFTEYYUBS-UHFFFAOYSA-N	-1	1	170.124	0.709	50	5	in-vitro	ACBAMM
O=c1[n-]cc([N+](=O)[O-])s1	1603230	351290015	/nfs/dbraw/zinc/29/00/15/351290015.db2.gz	YZFUZYHYTMCBDT-UHFFFAOYSA-N	-1	1	146.127	0.757	50	5		ACBAMM
O=c1[n-]nc(-c2ccc([N+](=O)[O-])o2)o1	2038879	351302433	/nfs/dbraw/zinc/30/24/33/351302433.db2.gz	OWDANLZJJOCPBK-UHFFFAOYSA-N	-1	1	197.106	0.943	50	5		ACBAMM
O=c1[n-]ccc(Cl)c1[N+](=O)[O-]	2598111	351314048	/nfs/dbraw/zinc/31/40/48/351314048.db2.gz	UKIZCTHOMJXNIX-UHFFFAOYSA-N	-1	1	174.543	0.937	50	5	in-vitro	ACBAMM
O=[N+]([O-])c1cccc2n[n-]nc12	5425412	351343626	/nfs/dbraw/zinc/34/36/26/351343626.db2.gz	UTMDJGPRCLQPBT-UHFFFAOYSA-N	-1	1	164.124	0.866	50	5	in-vitro	ACBAMM
O=c1[nH]cc([N+](=O)[O-])c2[n-]cnc12	8740049	351358751	/nfs/dbraw/zinc/35/87/51/351358751.db2.gz	UPBLMGMIIRGNIK-UHFFFAOYSA-N	-1	1	180.123	0.572	50	5	biogenic	ACBAMM
O=c1[nH]cc([N+](=O)[O-])c2nc[n-]c12	8740049	351358753	/nfs/dbraw/zinc/35/87/53/351358753.db2.gz	UPBLMGMIIRGNIK-UHFFFAOYSA-N	-1	1	180.123	0.572	50	5	biogenic	ACBAMM
O=c1c([N+](=O)[O-])c[n-]cc1[N+](=O)[O-]	12428245	351365070	/nfs/dbraw/zinc/36/50/70/351365070.db2.gz	PUHTYORYOUQZEB-UHFFFAOYSA-N	-1	1	185.095	0.604	50	5	in-vitro	ACBAMM
O=c1[n-]cncc1[N+](=O)[O-]	21982201	351408478	/nfs/dbraw/zinc/40/84/78/351408478.db2.gz	LLVGNTFQVMZZPW-UHFFFAOYSA-N	-1	1	141.086	0.090	50	5		ACBAMM
O=c1cc(Cl)c([N+](=O)[O-])c[n-]1	33358771	351430281	/nfs/dbraw/zinc/43/02/81/351430281.db2.gz	VZBXTOUZMQUTIQ-UHFFFAOYSA-N	-1	1	174.543	0.937	50	5		ACBAMM
O=c1cn[n-]c2ccc([N+](=O)[O-])cc12	34611717	351444495	/nfs/dbraw/zinc/44/44/95/351444495.db2.gz	KHKIQKVEMYQXLZ-UHFFFAOYSA-N	-1	1	191.146	0.831	50	5		ACBAMM
O=[N+]([O-])c1ccc([O-])c(CO)c1	36480227	351457584	/nfs/dbraw/zinc/45/75/84/351457584.db2.gz	JEIYIXDNZKATLC-UHFFFAOYSA-N	-1	1	169.136	0.793	50	5	in-vitro	ACBAMM
CC(=O)Nc1[n-]c(=O)ccc1[N+](=O)[O-]	8939819	409314591	/nfs/dbraw/zinc/31/45/91/409314591.db2.gz	PKRPEMDJIZOMSG-UHFFFAOYSA-N	-1	1	197.150	0.654	50	5		ACBAMM
COC(=O)c1c[n-]c([N+](=O)[O-])c1	15446279	521794538	/nfs/dbraw/zinc/79/45/38/521794538.db2.gz	ZTWHUNPGEGHLDC-UHFFFAOYSA-N	-1	1	170.124	0.710	50	5	in-vitro	ACBAMM
COc1cc([N+](=O)[O-])c(CO)cc1[O-]	90516285	1224181727	/nfs/dbraw/zinc/18/17/27/1224181727.db2.gz	BREHZRPAACNKTR-UHFFFAOYSA-N	-1	1	199.162	0.801	50	5	in-vitro	ACBAMM
NN=c1[n-]cc(Cl)cc1[N+](=O)[O-]	83596838	527287475	/nfs/dbraw/zinc/28/74/75/527287475.db2.gz	UHYSNWKUKBMEHR-UHFFFAOYSA-N	-1	1	188.574	0.929	50	5	in-vitro	ACBAMM