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]1OCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000149624275	534128130	/nfs/dbraw/zinc/12/81/30/534128130.db2.gz	HGYQJDXNZSIKHT-LDYMZIIASA-N	0	1	270.716	2.515	10	5		CFBEMN
CCCNc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)COC	ZINC000050815227	520170659	/nfs/dbraw/zinc/17/06/59/520170659.db2.gz	SHWZVMKAQQKKDO-LBPRGKRZSA-N	0	1	295.383	2.883	10	5		CFBEMN
CCCO[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2N)C1	ZINC000050817965	520284371	/nfs/dbraw/zinc/28/43/71/520284371.db2.gz	OAFUMZJOBTYYHE-AWEZNQCLSA-N	0	1	293.367	2.568	10	5		CFBEMN
Cc1ccc([N+](=O)[O-])cc1-c1noc(C2(N)CCCC2)n1	ZINC000050441219	526066552	/nfs/dbraw/zinc/06/65/52/526066552.db2.gz	KIRFVMLCEJLBSL-UHFFFAOYSA-N	0	1	288.307	2.681	10	5		CFBEMN
CC(C)(CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1	ZINC000113811233	347769462	/nfs/dbraw/zinc/76/94/62/347769462.db2.gz	XXHQWQAUQWUFKB-UHFFFAOYSA-N	0	1	278.352	2.595	10	5		CFBEMN
CCCCNC(=O)CN[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000181535829	189299449	/nfs/dbraw/zinc/29/94/49/189299449.db2.gz	BBLBUKYAGNUREN-CQSZACIVSA-N	0	1	293.367	2.552	10	5		CFBEMN
O=c1c2cccc(Cl)c2[nH]c2cc(O)cc(O)c12	ZINC000027553927	372343939	/nfs/dbraw/zinc/34/39/39/372343939.db2.gz	FNIGHIXUKIHUMN-UHFFFAOYSA-N	0	1	261.664	2.746	10	5		CFBEMN
C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000263370790	383660555	/nfs/dbraw/zinc/66/05/55/383660555.db2.gz	YBDOXGSMEXTODK-QMMMGPOBSA-N	0	1	298.726	2.686	10	5		CFBEMN
CCCCOCCNCc1cc([N+](=O)[O-])ccc1OC	ZINC000040507369	174302553	/nfs/dbraw/zinc/30/25/53/174302553.db2.gz	ZUEGZKCVJCVXHA-UHFFFAOYSA-N	0	1	282.340	2.510	10	5		CFBEMN
CCNc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-]	ZINC000040596630	174349321	/nfs/dbraw/zinc/34/93/21/174349321.db2.gz	BBNZBJAQRIJOBH-UHFFFAOYSA-N	0	1	294.702	2.609	10	5		CFBEMN
CC(C)CCNc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040659899	174365784	/nfs/dbraw/zinc/36/57/84/174365784.db2.gz	DHVFHMVULBMMBJ-UHFFFAOYSA-N	0	1	296.375	2.558	10	5		CFBEMN
O=C(c1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1	ZINC000089195128	275016194	/nfs/dbraw/zinc/01/61/94/275016194.db2.gz	DZYSAELADMINGG-UHFFFAOYSA-N	0	1	267.244	2.702	10	5		CFBEMN
CNCc1csc(-c2cc([N+](=O)[O-])ccc2C)n1	ZINC000050441291	522147996	/nfs/dbraw/zinc/14/79/96/522147996.db2.gz	VYPZGZMQCQMXFV-UHFFFAOYSA-N	0	1	263.322	2.746	10	5		CFBEMN
CCN[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])c(C)c2)o1	ZINC000050618736	520183173	/nfs/dbraw/zinc/18/31/73/520183173.db2.gz	UAPAUSCCTLHVTB-SECBINFHSA-N	0	1	276.296	2.624	10	5		CFBEMN
CCO[C@@H]1CCCN(Cc2ccc(NC)c([N+](=O)[O-])c2)C1	ZINC000050818047	520318913	/nfs/dbraw/zinc/31/89/13/520318913.db2.gz	KCNUHSFGXNXGFT-CYBMUJFWSA-N	0	1	293.367	2.637	10	5		CFBEMN
CCNc1ccc([N+](=O)[O-])cc1CN(CCOC)C1CC1	ZINC000050816154	520330559	/nfs/dbraw/zinc/33/05/59/520330559.db2.gz	VJLBIUMRBQIGIF-UHFFFAOYSA-N	0	1	293.367	2.637	10	5		CFBEMN
CCN(Cc1cc([N+](=O)[O-])ccc1NC)C[C@H]1CCCO1	ZINC000050815168	521295815	/nfs/dbraw/zinc/29/58/15/521295815.db2.gz	GIGZDMQNRWEUSA-CQSZACIVSA-N	0	1	293.367	2.637	10	5		CFBEMN
CC[C@@H](NC)c1nc(-c2cc([N+](=O)[O-])ccc2C)no1	ZINC000050441226	522808514	/nfs/dbraw/zinc/80/85/14/522808514.db2.gz	YZGNPEOJYSLWNH-LLVKDONJSA-N	0	1	276.296	2.624	10	5		CFBEMN
CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1n[nH]c(C)n1	ZINC000092664656	347638537	/nfs/dbraw/zinc/63/85/37/347638537.db2.gz	QSDACUJHFOCEJO-LLVKDONJSA-N	0	1	275.312	2.893	10	5		CFBEMN
CC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000086781068	179329679	/nfs/dbraw/zinc/32/96/79/179329679.db2.gz	GKIXBROHCPTLHW-NHYWBVRUSA-N	0	1	292.335	2.843	10	5		CFBEMN
Cc1ccc([C@@H](C)[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000086816196	179344068	/nfs/dbraw/zinc/34/40/68/179344068.db2.gz	KCYKTHMIDYUXFI-ABAIWWIYSA-N	0	1	292.335	2.903	10	5		CFBEMN
CCCNC(=O)[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000036959632	372617321	/nfs/dbraw/zinc/61/73/21/372617321.db2.gz	UBYFSHQXXQFFHK-SMDDNHRTSA-N	0	1	293.367	2.550	10	5		CFBEMN
O=[N+]([O-])c1ccc(Br)c(O)c1OC(F)F	ZINC000575687197	382788148	/nfs/dbraw/zinc/78/81/48/382788148.db2.gz	RPZSDPVWJLQHDI-UHFFFAOYSA-N	0	1	284.012	2.664	10	5		CFBEMN
CN[C@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1	ZINC000035458640	172207704	/nfs/dbraw/zinc/20/77/04/172207704.db2.gz	VNORMWCMXWGZOS-LLVKDONJSA-N	0	1	252.295	2.867	10	5		CFBEMN
Cc1nn(C)c(C)c1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1	ZINC000045171455	175320885	/nfs/dbraw/zinc/32/08/85/175320885.db2.gz	MKSXGEFWKGLTCS-SNVBAGLBSA-N	0	1	288.351	2.796	10	5		CFBEMN
CCOC[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050443979	520075677	/nfs/dbraw/zinc/07/56/77/520075677.db2.gz	KVCRFPAZYQLJSG-SECBINFHSA-N	0	1	272.732	2.763	10	5		CFBEMN
CCN[C@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2C)o1	ZINC000050618748	520183745	/nfs/dbraw/zinc/18/37/45/520183745.db2.gz	YROANQUIIJDSJQ-SECBINFHSA-N	0	1	276.296	2.624	10	5		CFBEMN
CCc1ccc(NCc2cnc(C)[nH]2)cc1[N+](=O)[O-]	ZINC000054822080	523994991	/nfs/dbraw/zinc/99/49/91/523994991.db2.gz	WNFSGCBAUAUYQM-UHFFFAOYSA-N	0	1	260.297	2.801	10	5		CFBEMN
C[C@@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1Br	ZINC000052278840	525328644	/nfs/dbraw/zinc/32/86/44/525328644.db2.gz	XDMPZCIGJCBPTD-HQJQHLMTSA-N	0	1	285.141	2.855	10	5		CFBEMN
C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000263315418	620132201	/nfs/dbraw/zinc/13/22/01/620132201.db2.gz	HNSFMDCGYXNZQJ-QMMMGPOBSA-N	0	1	298.726	2.686	10	5		CFBEMN
Cc1ccc([C@@H](C)[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000086790939	179334736	/nfs/dbraw/zinc/33/47/36/179334736.db2.gz	XNHGHLNLCZHUHP-DGCLKSJQSA-N	0	1	292.335	2.903	10	5		CFBEMN
CC[C@@H](C(=O)[O-])[N@@H+](C)[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000086802650	179337241	/nfs/dbraw/zinc/33/72/41/179337241.db2.gz	CFJJGDSBVGKIES-STQMWFEESA-N	0	1	280.324	2.841	10	5		CFBEMN
O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccco2)n1	ZINC000026507835	372323380	/nfs/dbraw/zinc/32/33/80/372323380.db2.gz	AETBDJUEYMMNTP-UHFFFAOYSA-N	0	1	256.221	2.640	10	5		CFBEMN
O=[N+]([O-])c1cc(OC(F)F)cc(OC(F)(F)F)c1O	ZINC000575665481	382782339	/nfs/dbraw/zinc/78/23/39/382782339.db2.gz	FEMIQTUMPGZRNK-UHFFFAOYSA-N	0	1	289.112	2.800	10	5		CFBEMN
O=[N+]([O-])c1cc(OC(F)F)c(O)cc1C(F)(F)F	ZINC000575664935	382782342	/nfs/dbraw/zinc/78/23/42/382782342.db2.gz	AVKNGSXYGMALNP-UHFFFAOYSA-N	0	1	273.113	2.921	10	5		CFBEMN
O=[N+]([O-])c1ccc(CCN2CCO[C@@H]3CCCC[C@@H]32)cc1	ZINC000070693829	285111310	/nfs/dbraw/zinc/11/13/10/285111310.db2.gz	RFVFOPSTOCDIEB-JKSUJKDBSA-N	0	1	290.363	2.781	10	5		CFBEMN
N[C@@H](Cc1cccc(F)c1)c1ccc([N+](=O)[O-])o1	ZINC000038129881	174131782	/nfs/dbraw/zinc/13/17/82/174131782.db2.gz	IFGFBGGGZFPTEG-JTQLQIEISA-N	0	1	250.229	2.569	10	5		CFBEMN
O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1O	ZINC000038257825	174138422	/nfs/dbraw/zinc/13/84/22/174138422.db2.gz	VSUJQJWJDDNYHJ-UHFFFAOYSA-N	0	1	276.223	2.692	10	5		CFBEMN
O=[N+]([O-])c1ccc(Cl)nc1OCCN1CCCCC1	ZINC000040240220	174212936	/nfs/dbraw/zinc/21/29/36/174212936.db2.gz	OJCGKJROMLJABI-UHFFFAOYSA-N	0	1	285.731	2.508	10	5		CFBEMN
O=[N+]([O-])c1cccc(OCc2n[nH]c(-c3ccccc3)n2)c1	ZINC000072236786	176345747	/nfs/dbraw/zinc/34/57/47/176345747.db2.gz	LPKWWADZSHUZRM-UHFFFAOYSA-N	0	1	296.286	2.959	10	5		CFBEMN
COc1ccc([N+](=O)[O-])cc1-c1nc(C(C)(C)C)n[nH]1	ZINC000072237794	176346851	/nfs/dbraw/zinc/34/68/51/176346851.db2.gz	CJYYPQOGZQRBOT-UHFFFAOYSA-N	0	1	276.296	2.686	10	5		CFBEMN
COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(C(C)(C)C)n1	ZINC000072237794	176346853	/nfs/dbraw/zinc/34/68/53/176346853.db2.gz	CJYYPQOGZQRBOT-UHFFFAOYSA-N	0	1	276.296	2.686	10	5		CFBEMN
CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000328223147	270298897	/nfs/dbraw/zinc/29/88/97/270298897.db2.gz	ZBQPSXDJUCWSRO-SECBINFHSA-N	0	1	269.732	2.754	10	5		CFBEMN
CCNc1ccc(CSc2nnc(C)[nH]2)cc1[N+](=O)[O-]	ZINC000050839522	520303914	/nfs/dbraw/zinc/30/39/14/520303914.db2.gz	BTNNFTDJJKYYTG-UHFFFAOYSA-N	0	1	293.352	2.745	10	5		CFBEMN
CCNc1ccc(CSc2nc(C)n[nH]2)cc1[N+](=O)[O-]	ZINC000050839522	520303919	/nfs/dbraw/zinc/30/39/19/520303919.db2.gz	BTNNFTDJJKYYTG-UHFFFAOYSA-N	0	1	293.352	2.745	10	5		CFBEMN
CNc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCCCO1	ZINC000050815067	522646062	/nfs/dbraw/zinc/64/60/62/522646062.db2.gz	ZCEQBEBDFQORNA-AWEZNQCLSA-N	0	1	293.367	2.637	10	5		CFBEMN
Cc1ncc(CNc2cc(Cl)ccc2[N+](=O)[O-])[nH]1	ZINC000054821795	526896220	/nfs/dbraw/zinc/89/62/20/526896220.db2.gz	JYLZUKRRIQOQSW-UHFFFAOYSA-N	0	1	266.688	2.892	10	5		CFBEMN
O=[N+]([O-])c1cc(CN2CCC[C@H]2CCCO)ccc1Cl	ZINC000052759536	618195593	/nfs/dbraw/zinc/19/55/93/618195593.db2.gz	LOMKVYDQAZMAPM-LBPRGKRZSA-N	0	1	298.770	2.985	10	5		CFBEMN
C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1CC(=O)[O-]	ZINC000086791569	179336175	/nfs/dbraw/zinc/33/61/75/179336175.db2.gz	GIRKEUPRYFSTLE-GXFFZTMASA-N	0	1	278.308	2.595	10	5		CFBEMN
Cc1ccc([C@@H](C)[N@@H+](C)CCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000086802047	179337268	/nfs/dbraw/zinc/33/72/68/179337268.db2.gz	GTAYUYASIHLURM-LLVKDONJSA-N	0	1	280.324	2.761	10	5		CFBEMN
CC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000086781269	179331097	/nfs/dbraw/zinc/33/10/97/179331097.db2.gz	DVASLBQLQKMGQL-XHDPSFHLSA-N	0	1	292.335	2.843	10	5		CFBEMN
C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1	ZINC000086783462	179332375	/nfs/dbraw/zinc/33/23/75/179332375.db2.gz	GNRIHTLYSQSJCT-XHDPSFHLSA-N	0	1	292.335	2.843	10	5		CFBEMN
CCCc1c(O)c(C(C)=O)cc([N+](=O)[O-])c1NCC	ZINC000004276936	371845891	/nfs/dbraw/zinc/84/58/91/371845891.db2.gz	NISBULGMQSAHKO-UHFFFAOYSA-N	0	1	266.297	2.887	10	5		CFBEMN
O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	ZINC000013154324	372018007	/nfs/dbraw/zinc/01/80/07/372018007.db2.gz	ZFAHRSYYEJMLHM-ILXRZTDVSA-N	0	1	267.284	2.928	10	5		CFBEMN
CC[C@H](NCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000088750750	374863025	/nfs/dbraw/zinc/86/30/25/374863025.db2.gz	SSWPFVVZZRNVEO-ZDUSSCGKSA-N	0	1	260.297	2.559	10	5		CFBEMN
O=[N+]([O-])c1cc(O)c(C(F)F)c(OC(F)F)c1	ZINC000575663212	382781900	/nfs/dbraw/zinc/78/19/00/382781900.db2.gz	SYOPEBJZKNBGGZ-UHFFFAOYSA-N	0	1	255.123	2.839	10	5		CFBEMN
O=[N+]([O-])c1c(OC(F)F)cc(O)cc1OC(F)(F)F	ZINC000575666562	382782703	/nfs/dbraw/zinc/78/27/03/382782703.db2.gz	JNYLJVDZPNULMG-UHFFFAOYSA-N	0	1	289.112	2.800	10	5		CFBEMN
O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1CCCO	ZINC000052762665	285088836	/nfs/dbraw/zinc/08/88/36/285088836.db2.gz	KTWQQGDIOMDXPE-CYBMUJFWSA-N	0	1	298.770	2.985	10	5		CFBEMN
N[C@@H](Cc1ccccc1F)c1ccc([N+](=O)[O-])o1	ZINC000038130037	174131341	/nfs/dbraw/zinc/13/13/41/174131341.db2.gz	BNGTYPOVIFTQHD-JTQLQIEISA-N	0	1	250.229	2.569	10	5		CFBEMN
Cc1cccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])n1	ZINC000040584537	174345763	/nfs/dbraw/zinc/34/57/63/174345763.db2.gz	DJBHKVDPJTWXOZ-UHFFFAOYSA-N	0	1	288.311	2.652	10	5		CFBEMN
Cc1nc(CNCCc2ccc([N+](=O)[O-])cc2)oc1C	ZINC000040676042	174373863	/nfs/dbraw/zinc/37/38/63/174373863.db2.gz	HFWGERIVCBNPMO-UHFFFAOYSA-N	0	1	275.308	2.532	10	5		CFBEMN
Cc1cccc(-c2nc([C@H](N)C(C)C)no2)c1[N+](=O)[O-]	ZINC000041123502	174488329	/nfs/dbraw/zinc/48/83/29/174488329.db2.gz	ALXSSARHXNDHAY-SNVBAGLBSA-N	0	1	276.296	2.609	10	5		CFBEMN
CCC[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])cc2F)n1	ZINC000043571364	175069002	/nfs/dbraw/zinc/06/90/02/175069002.db2.gz	WTMPKQZNZWMFCB-SNVBAGLBSA-N	0	1	280.259	2.584	10	5		CFBEMN
CC(C)Cc1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1	ZINC000072236674	176345734	/nfs/dbraw/zinc/34/57/34/176345734.db2.gz	MOUWCXXPQDBPIO-UHFFFAOYSA-N	0	1	260.297	2.502	10	5		CFBEMN
CC(C)Cc1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000072236674	176345735	/nfs/dbraw/zinc/34/57/35/176345735.db2.gz	MOUWCXXPQDBPIO-UHFFFAOYSA-N	0	1	260.297	2.502	10	5		CFBEMN
COc1ccc(-c2n[nH]c(-c3ccco3)n2)cc1[N+](=O)[O-]	ZINC000072237710	176346639	/nfs/dbraw/zinc/34/66/39/176346639.db2.gz	OGBRHZMQEOAWEL-UHFFFAOYSA-N	0	1	286.247	2.649	10	5		CFBEMN
CCCN[C@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000050619122	520067431	/nfs/dbraw/zinc/06/74/31/520067431.db2.gz	ZWBPZAPSRCEOFX-SECBINFHSA-N	0	1	276.296	2.705	10	5		CFBEMN
CCCO[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2N)C1	ZINC000050817964	520274407	/nfs/dbraw/zinc/27/44/07/520274407.db2.gz	OAFUMZJOBTYYHE-CQSZACIVSA-N	0	1	293.367	2.568	10	5		CFBEMN
CN(Cc1ccsc1)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000050813526	523483626	/nfs/dbraw/zinc/48/36/26/523483626.db2.gz	FSSJUSYFGGSXMS-UHFFFAOYSA-N	0	1	277.349	2.871	10	5		CFBEMN
O=[N+]([O-])c1cc(Br)ccc1NCc1cnc[nH]1	ZINC000054764917	527327930	/nfs/dbraw/zinc/32/79/30/527327930.db2.gz	NMKFIXXEZSLZAV-UHFFFAOYSA-N	0	1	297.112	2.693	10	5		CFBEMN
C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000086816662	179343621	/nfs/dbraw/zinc/34/36/21/179343621.db2.gz	DCOCRIGLOHYLMJ-YGRLFVJLSA-N	0	1	278.308	2.595	10	5		CFBEMN
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000086816909	179345452	/nfs/dbraw/zinc/34/54/52/179345452.db2.gz	QOMYSPDSXLHXAW-YGRLFVJLSA-N	0	1	278.308	2.595	10	5		CFBEMN
CCCNC(=O)[C@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000036959630	372616794	/nfs/dbraw/zinc/61/67/94/372616794.db2.gz	UBYFSHQXXQFFHK-FZMZJTMJSA-N	0	1	293.367	2.550	10	5		CFBEMN
CCCNC(=O)[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000036959631	372617285	/nfs/dbraw/zinc/61/72/85/372617285.db2.gz	UBYFSHQXXQFFHK-BXUZGUMPSA-N	0	1	293.367	2.550	10	5		CFBEMN
CSc1cc(Br)c([N+](=O)[O-])cc1O	ZINC000575692255	382789603	/nfs/dbraw/zinc/78/96/03/382789603.db2.gz	WINSWEBELJYBQA-UHFFFAOYSA-N	0	1	264.100	2.785	10	5		CFBEMN
Cc1cnn(CCNCc2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000227981796	382842829	/nfs/dbraw/zinc/84/28/29/382842829.db2.gz	UWTNMBGDQAUWQH-UHFFFAOYSA-N	0	1	294.742	2.543	10	5		CFBEMN
CC[C@@H](C)N(CC)CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000037336466	173137540	/nfs/dbraw/zinc/13/75/40/173137540.db2.gz	AMQZDGXEURZFQO-LLVKDONJSA-N	0	1	264.325	2.898	10	5		CFBEMN
Cc1cccnc1Nc1ncnc(NC(C)C)c1[N+](=O)[O-]	ZINC000040597438	174349307	/nfs/dbraw/zinc/34/93/07/174349307.db2.gz	UKZGUJYVGKMFAY-UHFFFAOYSA-N	0	1	288.311	2.652	10	5		CFBEMN
O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)o1	ZINC000044675411	175227176	/nfs/dbraw/zinc/22/71/76/175227176.db2.gz	CVICXRZDJUAEHZ-OLZOCXBDSA-N	0	1	258.277	2.834	10	5		CFBEMN
NC1(c2nc(-c3ccccc3[N+](=O)[O-])no2)CCCCC1	ZINC000044732030	175240927	/nfs/dbraw/zinc/24/09/27/175240927.db2.gz	UBUDYAQVAHPMHQ-UHFFFAOYSA-N	0	1	288.307	2.763	10	5		CFBEMN
O=[N+]([O-])c1ccc(Cc2nnc(-c3cccc(O)c3)[nH]2)cc1	ZINC000072236654	176345574	/nfs/dbraw/zinc/34/55/74/176345574.db2.gz	PKXNJDYUVAMGCH-UHFFFAOYSA-N	0	1	296.286	2.676	10	5		CFBEMN
C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000263315416	289388317	/nfs/dbraw/zinc/38/83/17/289388317.db2.gz	HNSFMDCGYXNZQJ-MRVPVSSYSA-N	0	1	298.726	2.686	10	5		CFBEMN
CCN[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])c(C)c2)o1	ZINC000050618735	520079117	/nfs/dbraw/zinc/07/91/17/520079117.db2.gz	UAPAUSCCTLHVTB-VIFPVBQESA-N	0	1	276.296	2.624	10	5		CFBEMN
CCN[C@H](C)c1nnc(-c2cc(F)c(F)cc2[N+](=O)[O-])o1	ZINC000050618986	520181366	/nfs/dbraw/zinc/18/13/66/520181366.db2.gz	WZRSXWQHMOAEMP-ZCFIWIBFSA-N	0	1	298.249	2.594	10	5		CFBEMN
CCC[C@@](C)(N)c1nc(-c2cc([N+](=O)[O-])ccc2C)no1	ZINC000050441206	520920570	/nfs/dbraw/zinc/92/05/70/520920570.db2.gz	KKRYOAPEAIPJAK-CQSZACIVSA-N	0	1	290.323	2.927	10	5		CFBEMN
O=C([O-])CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000050444709	527589734	/nfs/dbraw/zinc/58/97/34/527589734.db2.gz	VFSVWFNLQWRYPT-UHFFFAOYSA-N	0	1	298.726	2.687	10	5		CFBEMN
O=[N+]([O-])c1cccc(Cl)c1CNC[C@@H]1CCCO1	ZINC000104325124	185969136	/nfs/dbraw/zinc/96/91/36/185969136.db2.gz	IHNWXYQZHDBSMP-VIFPVBQESA-N	0	1	270.716	2.517	10	5		CFBEMN
Cc1cc([N+](=O)[O-])ccc1CN1CCS[C@H](C)C1	ZINC000183328728	189354739	/nfs/dbraw/zinc/35/47/39/189354739.db2.gz	SGOMBJOUPYCQGP-LLVKDONJSA-N	0	1	266.366	2.841	10	5		CFBEMN
O=[N+]([O-])c1cc(OC(F)F)cc(O)c1C(F)F	ZINC000575662761	382782034	/nfs/dbraw/zinc/78/20/34/382782034.db2.gz	HBZPWYVPPBNVPA-UHFFFAOYSA-N	0	1	255.123	2.839	10	5		CFBEMN
O=[N+]([O-])c1cc(O)cc(Br)c1Cl	ZINC000575679101	382785271	/nfs/dbraw/zinc/78/52/71/382785271.db2.gz	YSFBBTJWNVEUOY-UHFFFAOYSA-N	0	1	252.451	2.716	10	5		CFBEMN
Cc1[nH]nc2cc(Br)cc([N+](=O)[O-])c12	ZINC000014986114	393479344	/nfs/dbraw/zinc/47/93/44/393479344.db2.gz	FUSNIRNJKKPLEH-UHFFFAOYSA-N	0	1	256.059	2.542	10	5		CFBEMN
CC[C@H](C)N(CC)CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000037336468	173137734	/nfs/dbraw/zinc/13/77/34/173137734.db2.gz	AMQZDGXEURZFQO-NSHDSACASA-N	0	1	264.325	2.898	10	5		CFBEMN
NCc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000043493214	175057538	/nfs/dbraw/zinc/05/75/38/175057538.db2.gz	RLCGTAKFVYLXCP-UHFFFAOYSA-N	0	1	252.657	2.967	10	5		CFBEMN
CCC(N)(CC)c1noc(-c2ccc([N+](=O)[O-])cc2F)n1	ZINC000043571372	175068810	/nfs/dbraw/zinc/06/88/10/175068810.db2.gz	ZMQUNFGGJYPSJU-UHFFFAOYSA-N	0	1	294.286	2.758	10	5		CFBEMN
CCNc1ccc(CN2CCCSCC2)cc1[N+](=O)[O-]	ZINC000050817857	520301391	/nfs/dbraw/zinc/30/13/91/520301391.db2.gz	RBRPSIZWTBXZAP-UHFFFAOYSA-N	0	1	295.408	2.966	10	5		CFBEMN
O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]2CCCO)c1	ZINC000052759539	618195519	/nfs/dbraw/zinc/19/55/19/618195519.db2.gz	VYEOADZZBNJHLM-GFCCVEGCSA-N	0	1	298.770	2.985	10	5		CFBEMN
CC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000086781355	179330726	/nfs/dbraw/zinc/33/07/26/179330726.db2.gz	VWPGCOBAGFDWRQ-XHDPSFHLSA-N	0	1	292.335	2.843	10	5		CFBEMN
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000086814944	179343017	/nfs/dbraw/zinc/34/30/17/179343017.db2.gz	VBOLVZXEBWAKII-SMDDNHRTSA-N	0	1	292.335	2.985	10	5		CFBEMN
O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1C[C@H]2CC[C@@H]1O2	ZINC000152744869	188040655	/nfs/dbraw/zinc/04/06/55/188040655.db2.gz	NPXROUAGYIVNPC-MDZLAQPJSA-N	0	1	282.727	2.658	10	5		CFBEMN
O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	ZINC000100337905	375619295	/nfs/dbraw/zinc/61/92/95/375619295.db2.gz	ZFAHRSYYEJMLHM-KKUMJFAQSA-N	0	1	267.284	2.928	10	5		CFBEMN
O=[N+]([O-])c1ccc(CN2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000152554557	378427069	/nfs/dbraw/zinc/42/70/69/378427069.db2.gz	FAOOTHOJCIVWSW-MRXNPFEDSA-N	0	1	299.330	2.643	10	5		CFBEMN
CC(C)CCN1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302818870	393496041	/nfs/dbraw/zinc/49/60/41/393496041.db2.gz	NQOXOVQNDLKELB-UHFFFAOYSA-N	0	1	295.358	2.902	10	5		CFBEMN
O=[N+]([O-])c1ccc(N[C@@H]2CN3CCC2CC3)c(Cl)c1	ZINC000020549294	171246233	/nfs/dbraw/zinc/24/62/33/171246233.db2.gz	TUHSCQHNESAAJB-CYBMUJFWSA-N	0	1	281.743	2.754	10	5		CFBEMN
CCCNc1ncnc(Nc2ncccc2C)c1[N+](=O)[O-]	ZINC000040596840	174349470	/nfs/dbraw/zinc/34/94/70/174349470.db2.gz	LLBNZVRMLHIFEN-UHFFFAOYSA-N	0	1	288.311	2.654	10	5		CFBEMN
CCNCc1csc(-c2ccccc2[N+](=O)[O-])n1	ZINC000044732101	175240902	/nfs/dbraw/zinc/24/09/02/175240902.db2.gz	JOKUAHPYPSATCC-UHFFFAOYSA-N	0	1	263.322	2.828	10	5		CFBEMN
COc1ccc([N+](=O)[O-])cc1-c1nnc(CC(C)C)[nH]1	ZINC000072237801	176346730	/nfs/dbraw/zinc/34/67/30/176346730.db2.gz	KERMDBUVQPUDIU-UHFFFAOYSA-N	0	1	276.296	2.587	10	5		CFBEMN
CN[C@H](C)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000050618357	522456365	/nfs/dbraw/zinc/45/63/65/522456365.db2.gz	OGIKAIFVLXSGHN-ZCFIWIBFSA-N	0	1	282.687	2.579	10	5		CFBEMN
Cc1[nH]n(-c2ccccc2)c(=O)c1Cc1ccc([N+](=O)[O-])o1	ZINC000100244909	185709582	/nfs/dbraw/zinc/70/95/82/185709582.db2.gz	OWENCHXOSLBDNG-CYBMUJFWSA-N	0	1	299.286	2.769	10	5		CFBEMN
CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000086816044	179343536	/nfs/dbraw/zinc/34/35/36/179343536.db2.gz	CDMZKAILMCDSAA-ZFWWWQNUSA-N	0	1	292.335	2.985	10	5		CFBEMN
CC[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000086816047	179343675	/nfs/dbraw/zinc/34/36/75/179343675.db2.gz	CDMZKAILMCDSAA-HIFRSBDPSA-N	0	1	292.335	2.985	10	5		CFBEMN
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000086816907	179344302	/nfs/dbraw/zinc/34/43/02/179344302.db2.gz	QOMYSPDSXLHXAW-HZMBPMFUSA-N	0	1	278.308	2.595	10	5		CFBEMN
C[C@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl	ZINC000134253939	377996673	/nfs/dbraw/zinc/99/66/73/377996673.db2.gz	RXTFKEQKFWQTAC-PRHODGIISA-N	0	1	270.716	2.515	10	5		CFBEMN
Cc1ccc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)o1	ZINC000182602690	381118762	/nfs/dbraw/zinc/11/87/62/381118762.db2.gz	JGLZUEYSGNRQFF-FZMZJTMJSA-N	0	1	290.319	2.880	10	5		CFBEMN
C[C@H](NCc1ccncc1)c1ccc([N+](=O)[O-])cc1	ZINC000037177107	173010735	/nfs/dbraw/zinc/01/07/35/173010735.db2.gz	JZMJXFKHAZPHNJ-NSHDSACASA-N	0	1	257.293	2.841	10	5		CFBEMN
CCCN(CC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000037335074	173135724	/nfs/dbraw/zinc/13/57/24/173135724.db2.gz	ULVBPNDFFZGXAH-UHFFFAOYSA-N	0	1	264.325	2.898	10	5		CFBEMN
CC(C)NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000050615944	519729165	/nfs/dbraw/zinc/72/91/65/519729165.db2.gz	IJNQXLCUBATIOL-UHFFFAOYSA-N	0	1	296.714	2.796	10	5		CFBEMN
CCN[C@@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2C)o1	ZINC000050618747	520082665	/nfs/dbraw/zinc/08/26/65/520082665.db2.gz	YROANQUIIJDSJQ-VIFPVBQESA-N	0	1	276.296	2.624	10	5		CFBEMN
COc1cc(CNCc2ccccc2[N+](=O)[O-])ccc1O	ZINC000048068882	522467715	/nfs/dbraw/zinc/46/77/15/522467715.db2.gz	RWFPKBQBXQHRQF-UHFFFAOYSA-N	0	1	288.303	2.599	10	5		CFBEMN
CN(Cc1cccc(F)c1)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000050812426	523310153	/nfs/dbraw/zinc/31/01/53/523310153.db2.gz	CUULAWAFYGIMNN-UHFFFAOYSA-N	0	1	289.310	2.948	10	5		CFBEMN
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]1CCCO	ZINC000093097808	618979217	/nfs/dbraw/zinc/97/92/17/618979217.db2.gz	DXWDZCXOUIUSLL-ZDUSSCGKSA-N	0	1	298.770	2.985	10	5		CFBEMN
C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1CC(=O)[O-]	ZINC000086791571	179336295	/nfs/dbraw/zinc/33/62/95/179336295.db2.gz	GIRKEUPRYFSTLE-ZWNOBZJWSA-N	0	1	278.308	2.595	10	5		CFBEMN
C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000086814772	179343134	/nfs/dbraw/zinc/34/31/34/179343134.db2.gz	RFDAJKQXYPMKAG-BXUZGUMPSA-N	0	1	292.335	2.985	10	5		CFBEMN
CC[C@](C)(O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000123295806	187083131	/nfs/dbraw/zinc/08/31/31/187083131.db2.gz	UTROMNQGMQWSPY-ZDUSSCGKSA-N	0	1	286.759	2.841	10	5		CFBEMN
O=c1cc(O)c2c(O)c3c(Cl)cccc3[nH]c-2c1	ZINC000027558671	372343204	/nfs/dbraw/zinc/34/32/04/372343204.db2.gz	KVCOIMCNHUBVQL-UHFFFAOYSA-N	0	1	261.664	2.746	10	5		CFBEMN
CCCCNC(=O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000181535813	380819110	/nfs/dbraw/zinc/81/91/10/380819110.db2.gz	BBLBUKYAGNUREN-AWEZNQCLSA-N	0	1	293.367	2.552	10	5		CFBEMN
O=[N+]([O-])c1cc(C(F)(F)F)cc(OC(F)F)c1O	ZINC000575667471	382782788	/nfs/dbraw/zinc/78/27/88/382782788.db2.gz	QEASOVFRCXUDDF-UHFFFAOYSA-N	0	1	273.113	2.921	10	5		CFBEMN
CSc1c(O)cc(Br)cc1[N+](=O)[O-]	ZINC000575691226	382789146	/nfs/dbraw/zinc/78/91/46/382789146.db2.gz	KSLGKKBXNHEEPC-UHFFFAOYSA-N	0	1	264.100	2.785	10	5		CFBEMN
CCN[C@H](c1ccc([N+](=O)[O-])o1)c1cccs1	ZINC000035545233	172253859	/nfs/dbraw/zinc/25/38/59/172253859.db2.gz	SRRBYKGQZIUFQS-LLVKDONJSA-N	0	1	252.295	2.948	10	5		CFBEMN
CC(C)(C)Nc1ncnc(Nc2ccccn2)c1[N+](=O)[O-]	ZINC000040581694	174344788	/nfs/dbraw/zinc/34/47/88/174344788.db2.gz	LQQLNXYKOMQGIN-UHFFFAOYSA-N	0	1	288.311	2.734	10	5		CFBEMN
O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]2c2ccccc2)o1	ZINC000044675413	175227192	/nfs/dbraw/zinc/22/71/92/175227192.db2.gz	CVICXRZDJUAEHZ-QWHCGFSZSA-N	0	1	258.277	2.834	10	5		CFBEMN
COc1ccc([N+](=O)[O-])cc1N1CCN(C(C)(C)C)CC1	ZINC000095829852	274118838	/nfs/dbraw/zinc/11/88/38/274118838.db2.gz	DHRZDWFUDYCPGZ-UHFFFAOYSA-N	0	1	293.367	2.524	10	5		CFBEMN
CCN[C@H](C)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000050618774	520181345	/nfs/dbraw/zinc/18/13/45/520181345.db2.gz	GMCNGJCCPDULMT-SSDOTTSWSA-N	0	1	296.714	2.969	10	5		CFBEMN
CNc1ccc([N+](=O)[O-])cc1CN1CCCSCC1	ZINC000050817859	522645368	/nfs/dbraw/zinc/64/53/68/522645368.db2.gz	IKBMYFIRERSXML-UHFFFAOYSA-N	0	1	281.381	2.575	10	5		CFBEMN
COc1cc(O)c2c(cc3oc(C)cc(O)c-3c2=O)c1C	ZINC000014684940	560224365	/nfs/dbraw/zinc/22/43/65/560224365.db2.gz	RWYDRASBOZUJPY-UHFFFAOYSA-N	0	1	286.283	2.983	10	5	biogenic,in-vitro	CFBEMN
O=[N+]([O-])c1ccc2n[nH]c(Br)c2c1Cl	ZINC000043220604	346380861	/nfs/dbraw/zinc/38/08/61/346380861.db2.gz	LWLWAOWJCCZHAS-UHFFFAOYSA-N	0	1	276.477	2.887	10	5		CFBEMN
CC[C@@](C)(O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000123296012	187082923	/nfs/dbraw/zinc/08/29/23/187082923.db2.gz	UTROMNQGMQWSPY-CYBMUJFWSA-N	0	1	286.759	2.841	10	5		CFBEMN
CC[C@@H](NCc1cn(C)nc1C)c1cccc([N+](=O)[O-])c1	ZINC000157718597	188334303	/nfs/dbraw/zinc/33/43/03/188334303.db2.gz	BALLIIRBNCQVTK-OAHLLOKOSA-N	0	1	288.351	2.878	10	5		CFBEMN
CC[C@@H](NCC(=O)N[C@@H](C)CC)c1cccc([N+](=O)[O-])c1	ZINC000181545978	380823789	/nfs/dbraw/zinc/82/37/89/380823789.db2.gz	GCWMRQYNRCPNGE-SMDDNHRTSA-N	0	1	293.367	2.550	10	5		CFBEMN
CCCCOCCNCc1cc(F)ccc1[N+](=O)[O-]	ZINC000040507239	174302689	/nfs/dbraw/zinc/30/26/89/174302689.db2.gz	XCQAGTNDXWYQPF-UHFFFAOYSA-N	0	1	270.304	2.640	10	5		CFBEMN
CCN[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000050618994	520183326	/nfs/dbraw/zinc/18/33/26/520183326.db2.gz	JOXPYMWSFFIAEN-SECBINFHSA-N	0	1	276.296	2.624	10	5		CFBEMN
CCN(Cc1ccco1)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000050817379	521397689	/nfs/dbraw/zinc/39/76/89/521397689.db2.gz	PKKVBKRSKDWELR-UHFFFAOYSA-N	0	1	275.308	2.792	10	5		CFBEMN
CCN1CCC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1	ZINC000311717279	521624670	/nfs/dbraw/zinc/62/46/70/521624670.db2.gz	TXJDJNSSKGAGKZ-SNVBAGLBSA-N	0	1	267.304	2.630	10	5		CFBEMN
CCOC1CCN(Cc2ccc(NC)c([N+](=O)[O-])c2)CC1	ZINC000050814617	521656686	/nfs/dbraw/zinc/65/66/86/521656686.db2.gz	UZTUFNHKAKHCSM-UHFFFAOYSA-N	0	1	293.367	2.637	10	5		CFBEMN
C[C@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1Br	ZINC000052278847	524963843	/nfs/dbraw/zinc/96/38/43/524963843.db2.gz	XDMPZCIGJCBPTD-WRWORJQWSA-N	0	1	285.141	2.855	10	5		CFBEMN
O=[N+]([O-])c1ccccc1OCc1n[nH]c(-c2ccccc2)n1	ZINC000072237542	374236032	/nfs/dbraw/zinc/23/60/32/374236032.db2.gz	SBHMLEKHCRIRCN-UHFFFAOYSA-N	0	1	296.286	2.959	10	5		CFBEMN
CC[C@@H](C)NC(=O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000181545929	380823861	/nfs/dbraw/zinc/82/38/61/380823861.db2.gz	GCWMRQYNRCPNGE-RISCZKNCSA-N	0	1	293.367	2.550	10	5		CFBEMN
Cc1ccc([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)o1	ZINC000182602706	381117928	/nfs/dbraw/zinc/11/79/28/381117928.db2.gz	JGLZUEYSGNRQFF-BXUZGUMPSA-N	0	1	290.319	2.880	10	5		CFBEMN
Cc1cnn(CCNCc2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000218989328	382791577	/nfs/dbraw/zinc/79/15/77/382791577.db2.gz	JUHUKAFFMZNPNL-UHFFFAOYSA-N	0	1	294.742	2.543	10	5		CFBEMN
CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000328223148	270298783	/nfs/dbraw/zinc/29/87/83/270298783.db2.gz	ZBQPSXDJUCWSRO-VIFPVBQESA-N	0	1	269.732	2.754	10	5		CFBEMN
N=C1c2ccccc2CN1Nc1ccc([N+](=O)[O-])cc1	ZINC000039850639	174174265	/nfs/dbraw/zinc/17/42/65/174174265.db2.gz	RZNXLRCIDMCPBV-UHFFFAOYSA-N	0	1	268.276	2.763	10	5		CFBEMN
Cc1ccnc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])c1	ZINC000040588165	174346030	/nfs/dbraw/zinc/34/60/30/174346030.db2.gz	CKVFPPWESQZNPO-UHFFFAOYSA-N	0	1	288.311	2.652	10	5		CFBEMN
CCC[C@H](N)c1noc(-c2ccc([N+](=O)[O-])cc2F)n1	ZINC000043571363	175069071	/nfs/dbraw/zinc/06/90/71/175069071.db2.gz	WTMPKQZNZWMFCB-JTQLQIEISA-N	0	1	280.259	2.584	10	5		CFBEMN
CCCN[C@@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000050619121	519990652	/nfs/dbraw/zinc/99/06/52/519990652.db2.gz	ZWBPZAPSRCEOFX-VIFPVBQESA-N	0	1	276.296	2.705	10	5		CFBEMN
CCOC[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050443981	520138911	/nfs/dbraw/zinc/13/89/11/520138911.db2.gz	KVCRFPAZYQLJSG-VIFPVBQESA-N	0	1	272.732	2.763	10	5		CFBEMN
Cc1ccc([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)o1	ZINC000182602676	525731675	/nfs/dbraw/zinc/73/16/75/525731675.db2.gz	JGLZUEYSGNRQFF-RISCZKNCSA-N	0	1	290.319	2.880	10	5		CFBEMN
O=[N+]([O-])c1ccc(CN2CCC[C@H]2CCCO)c(Cl)c1	ZINC000052762376	527349812	/nfs/dbraw/zinc/34/98/12/527349812.db2.gz	RSGUZVJEKRHEGA-LBPRGKRZSA-N	0	1	298.770	2.985	10	5		CFBEMN
O=[N+]([O-])c1ccccc1CN1CCC(c2cc[nH]n2)CC1	ZINC000160539472	527400198	/nfs/dbraw/zinc/40/01/98/527400198.db2.gz	CJVKVIRBVUOZDY-UHFFFAOYSA-N	0	1	286.335	2.698	10	5		CFBEMN
O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]2CCCO)c1	ZINC000052759540	618195422	/nfs/dbraw/zinc/19/54/22/618195422.db2.gz	VYEOADZZBNJHLM-LBPRGKRZSA-N	0	1	298.770	2.985	10	5		CFBEMN
CC[C@@H](NCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1	ZINC000038005922	346336898	/nfs/dbraw/zinc/33/68/98/346336898.db2.gz	PJKHGWCENDVPOD-CYBMUJFWSA-N	0	1	260.297	2.559	10	5		CFBEMN
CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1CC(=O)[O-]	ZINC000086790727	179335407	/nfs/dbraw/zinc/33/54/07/179335407.db2.gz	IARBRXXSGJBURG-OCCSQVGLSA-N	0	1	292.335	2.985	10	5		CFBEMN
CC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCC(=O)[O-]	ZINC000086801955	179336180	/nfs/dbraw/zinc/33/61/80/179336180.db2.gz	NHZPGBYSPNHDHJ-CYBMUJFWSA-N	0	1	280.324	2.843	10	5		CFBEMN
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000086814945	179342992	/nfs/dbraw/zinc/34/29/92/179342992.db2.gz	VBOLVZXEBWAKII-BXUZGUMPSA-N	0	1	292.335	2.985	10	5		CFBEMN
O=[N+]([O-])c1cccc(-c2nc(-c3ccc(O)cc3)n[nH]2)c1	ZINC000000505372	371631582	/nfs/dbraw/zinc/63/15/82/371631582.db2.gz	IQOZKJCUDFYRSB-UHFFFAOYSA-N	0	1	282.259	2.753	10	5		CFBEMN
O=[N+]([O-])c1cccc(-c2n[nH]c(-c3ccc(O)cc3)n2)c1	ZINC000000505372	371631584	/nfs/dbraw/zinc/63/15/84/371631584.db2.gz	IQOZKJCUDFYRSB-UHFFFAOYSA-N	0	1	282.259	2.753	10	5		CFBEMN
O=[N+]([O-])c1cc(OC(F)F)c(O)cc1C(F)F	ZINC000575663162	382782090	/nfs/dbraw/zinc/78/20/90/382782090.db2.gz	QWWGVVFBWQZGAD-UHFFFAOYSA-N	0	1	255.123	2.839	10	5		CFBEMN
CCc1cc(O)cc(OC(F)(F)F)c1[N+](=O)[O-]	ZINC000575706232	382792373	/nfs/dbraw/zinc/79/23/73/382792373.db2.gz	NRBUVFAHOATFLO-UHFFFAOYSA-N	0	1	251.160	2.761	10	5		CFBEMN
CCOc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-]	ZINC000040659610	174365891	/nfs/dbraw/zinc/36/58/91/174365891.db2.gz	ACNIEQLXVMJZEG-UHFFFAOYSA-N	0	1	296.233	2.805	10	5		CFBEMN
O=[N+]([O-])c1ccc(N2CCC(c3ccn[nH]3)CC2)c(F)c1	ZINC000195498605	527361492	/nfs/dbraw/zinc/36/14/92/527361492.db2.gz	FTEKBDSEYAGALZ-UHFFFAOYSA-N	0	1	290.298	2.841	10	5		CFBEMN
O=C(OCc1ccccc1)c1cc([N+](=O)[O-])ccc1O	ZINC000034413935	346316795	/nfs/dbraw/zinc/31/67/95/346316795.db2.gz	DNKITKPTEJNJOU-UHFFFAOYSA-N	0	1	273.244	2.657	10	5		CFBEMN
CC[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1CC(=O)[O-]	ZINC000086790730	179335163	/nfs/dbraw/zinc/33/51/63/179335163.db2.gz	IARBRXXSGJBURG-TZMCWYRMSA-N	0	1	292.335	2.985	10	5		CFBEMN
CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCC(=O)[O-]	ZINC000086801951	179335967	/nfs/dbraw/zinc/33/59/67/179335967.db2.gz	NHZPGBYSPNHDHJ-ZDUSSCGKSA-N	0	1	280.324	2.843	10	5		CFBEMN
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000086816823	179344699	/nfs/dbraw/zinc/34/46/99/179344699.db2.gz	QZPKLAFGCDQPEW-HZMBPMFUSA-N	0	1	278.308	2.595	10	5		CFBEMN
O=[N+]([O-])c1cc(O)cc(OC(F)F)c1Br	ZINC000575685071	382787353	/nfs/dbraw/zinc/78/73/53/382787353.db2.gz	JJZUIGICFDSPCR-UHFFFAOYSA-N	0	1	284.012	2.664	10	5		CFBEMN
CCc1c([N+](=O)[O-])ccc(O)c1OC(F)(F)F	ZINC000575705527	382792208	/nfs/dbraw/zinc/79/22/08/382792208.db2.gz	IESCLGUZCLEGTN-UHFFFAOYSA-N	0	1	251.160	2.761	10	5		CFBEMN
CCC(CC)N(C)CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000037339122	173140103	/nfs/dbraw/zinc/14/01/03/173140103.db2.gz	XODGHNFVGDZGHS-UHFFFAOYSA-N	0	1	264.325	2.898	10	5		CFBEMN
CC(C)(C)c1cc(NN)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000051152777	519006037	/nfs/dbraw/zinc/00/60/37/519006037.db2.gz	GNOFJDBLHYXGEN-UHFFFAOYSA-N	0	1	287.323	2.635	10	5		CFBEMN
CCN[C@@H](C)c1nnc(-c2cc(F)c(F)cc2[N+](=O)[O-])o1	ZINC000050618985	520080468	/nfs/dbraw/zinc/08/04/68/520080468.db2.gz	WZRSXWQHMOAEMP-LURJTMIESA-N	0	1	298.249	2.594	10	5		CFBEMN
CCNc1ccc([N+](=O)[O-])cc1CSc1nnc(C)[nH]1	ZINC000050839530	520329975	/nfs/dbraw/zinc/32/99/75/520329975.db2.gz	PQOGXTOEZKRBPC-UHFFFAOYSA-N	0	1	293.352	2.745	10	5		CFBEMN
CCNc1ccc([N+](=O)[O-])cc1CSc1nc(C)n[nH]1	ZINC000050839530	520329983	/nfs/dbraw/zinc/32/99/83/520329983.db2.gz	PQOGXTOEZKRBPC-UHFFFAOYSA-N	0	1	293.352	2.745	10	5		CFBEMN
Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]2CCCCN2)n1	ZINC000050441163	526070412	/nfs/dbraw/zinc/07/04/12/526070412.db2.gz	QAEJUKIWKCGBHS-GFCCVEGCSA-N	0	1	288.307	2.768	10	5		CFBEMN
Cc1[nH]ncc1CNc1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000050439538	526555860	/nfs/dbraw/zinc/55/58/60/526555860.db2.gz	KLSHPUUDTXVAPN-UHFFFAOYSA-N	0	1	260.297	2.855	10	5		CFBEMN
CC[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1n[nH]c(C)n1	ZINC000092664654	347638427	/nfs/dbraw/zinc/63/84/27/347638427.db2.gz	QSDACUJHFOCEJO-NSHDSACASA-N	0	1	275.312	2.893	10	5		CFBEMN
O=[N+]([O-])c1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000152554629	378427034	/nfs/dbraw/zinc/42/70/34/378427034.db2.gz	FAOOTHOJCIVWSW-INIZCTEOSA-N	0	1	299.330	2.643	10	5		CFBEMN
O=[N+]([O-])c1cc(OC(F)(F)F)c(O)cc1OC(F)F	ZINC000575666364	382782321	/nfs/dbraw/zinc/78/23/21/382782321.db2.gz	ILUUNOMKWMLKBP-UHFFFAOYSA-N	0	1	289.112	2.800	10	5		CFBEMN
Cc1cc2c(cc1[N+](=O)[O-])-c1ccccc1S(=O)(=O)N2	ZINC000005332481	170086713	/nfs/dbraw/zinc/08/67/13/170086713.db2.gz	BKHYHAFZSQSDSS-UHFFFAOYSA-N	0	1	290.300	2.684	10	5		CFBEMN
O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CN2CCC1CC2	ZINC000021518118	171313983	/nfs/dbraw/zinc/31/39/83/171313983.db2.gz	MCFVZMGEXGLVDW-GFCCVEGCSA-N	0	1	281.743	2.754	10	5		CFBEMN
C[C@@H](Cc1ccco1)NCc1ccc([N+](=O)[O-])o1	ZINC000037291921	173096944	/nfs/dbraw/zinc/09/69/44/173096944.db2.gz	ULMIMTHOIGRCNC-VIFPVBQESA-N	0	1	250.254	2.502	10	5		CFBEMN
NC1(c2noc(-c3ccc([N+](=O)[O-])cc3F)n2)CCCC1	ZINC000043571375	175069062	/nfs/dbraw/zinc/06/90/62/175069062.db2.gz	XXMYJQACOURJHF-UHFFFAOYSA-N	0	1	292.270	2.512	10	5		CFBEMN
CCC[C@H](N)c1noc(-c2ccc([N+](=O)[O-])cc2C)n1	ZINC000044747976	175243381	/nfs/dbraw/zinc/24/33/81/175243381.db2.gz	XYNAESRZOHHCCM-NSHDSACASA-N	0	1	276.296	2.753	10	5		CFBEMN
CC(C)N(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(C)C	ZINC000001028749	279465088	/nfs/dbraw/zinc/46/50/88/279465088.db2.gz	LHOXOOCMJZTWEN-UHFFFAOYSA-N	0	1	293.323	2.579	10	5		CFBEMN
CCN[C@H](C)c1nnc(-c2ccc(C)c([N+](=O)[O-])c2)o1	ZINC000050618754	520181889	/nfs/dbraw/zinc/18/18/89/520181889.db2.gz	IMNKLEMFDPOBSX-SECBINFHSA-N	0	1	276.296	2.624	10	5		CFBEMN
CCC[C@@H](N)c1noc(-c2cc(F)c(F)cc2[N+](=O)[O-])n1	ZINC000050017519	520725989	/nfs/dbraw/zinc/72/59/89/520725989.db2.gz	XGXFMLUQPMYYKJ-SECBINFHSA-N	0	1	298.249	2.723	10	5		CFBEMN
CN(Cc1ccc(F)cc1)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000050818194	523251486	/nfs/dbraw/zinc/25/14/86/523251486.db2.gz	ISDHRXQUZBLSSP-UHFFFAOYSA-N	0	1	289.310	2.948	10	5		CFBEMN
C[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl	ZINC000134254003	377996798	/nfs/dbraw/zinc/99/67/98/377996798.db2.gz	RXTFKEQKFWQTAC-UFBFGSQYSA-N	0	1	270.716	2.515	10	5		CFBEMN
O=c1/c(=N/O)c2ccccc2c2ccccc2n1CC1CC1	ZINC000165840200	379043853	/nfs/dbraw/zinc/04/38/53/379043853.db2.gz	ZVEPHMAFIOCVHV-HTXNQAPBSA-N	0	1	292.338	2.855	10	5		CFBEMN
O=[N+]([O-])c1ccc(O)c(OC(F)F)c1C(F)(F)F	ZINC000575668794	382783118	/nfs/dbraw/zinc/78/31/18/382783118.db2.gz	XCCQDQYCMYUZKW-UHFFFAOYSA-N	0	1	273.113	2.921	10	5		CFBEMN
CSc1c(O)cc([N+](=O)[O-])cc1Br	ZINC000575692182	382789321	/nfs/dbraw/zinc/78/93/21/382789321.db2.gz	VCAIXJJWDWMKLJ-UHFFFAOYSA-N	0	1	264.100	2.785	10	5		CFBEMN
C[C@@H](NCc1ccncc1)c1ccc([N+](=O)[O-])cc1	ZINC000037177108	173010408	/nfs/dbraw/zinc/01/04/08/173010408.db2.gz	JZMJXFKHAZPHNJ-LLVKDONJSA-N	0	1	257.293	2.841	10	5		CFBEMN
CCCNc1ncnc(Nc2cccc(C)n2)c1[N+](=O)[O-]	ZINC000040584536	174345799	/nfs/dbraw/zinc/34/57/99/174345799.db2.gz	GWSYAOYEBGUEDY-UHFFFAOYSA-N	0	1	288.311	2.654	10	5		CFBEMN
CCC[C@](C)(N)c1nc(-c2ccccc2[N+](=O)[O-])no1	ZINC000044732012	175240854	/nfs/dbraw/zinc/24/08/54/175240854.db2.gz	JDIUOVOTIQTEGR-ZDUSSCGKSA-N	0	1	276.296	2.619	10	5		CFBEMN
CCNc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCCO1	ZINC000050815916	520329046	/nfs/dbraw/zinc/32/90/46/520329046.db2.gz	ZDMQFTGGDQVSHX-CQSZACIVSA-N	0	1	293.367	2.637	10	5		CFBEMN
CCNc1ccc([N+](=O)[O-])cc1CN1CCCSCC1	ZINC000050817860	520331118	/nfs/dbraw/zinc/33/11/18/520331118.db2.gz	DDYPFJLZHRICDZ-UHFFFAOYSA-N	0	1	295.408	2.966	10	5		CFBEMN
CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1N	ZINC000050793037	523346368	/nfs/dbraw/zinc/34/63/68/523346368.db2.gz	FSFCBMZZNSHPIU-UHFFFAOYSA-N	0	1	271.320	2.809	10	5		CFBEMN
CC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1	ZINC000111690357	618762660	/nfs/dbraw/zinc/76/26/60/618762660.db2.gz	HOMLPNINCYBCTP-AWEZNQCLSA-N	0	1	276.336	2.704	10	5		CFBEMN
CC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000086781071	179329552	/nfs/dbraw/zinc/32/95/52/179329552.db2.gz	GKIXBROHCPTLHW-XHDPSFHLSA-N	0	1	292.335	2.843	10	5		CFBEMN
O=[N+]([O-])c1ccc(OC(F)F)c(O)c1C(F)(F)F	ZINC000575665920	382782438	/nfs/dbraw/zinc/78/24/38/382782438.db2.gz	HAVNHXVQWLJFRV-UHFFFAOYSA-N	0	1	273.113	2.921	10	5		CFBEMN
O=[N+]([O-])c1ccc(C(F)(F)F)c(O)c1OC(F)F	ZINC000575666984	382782808	/nfs/dbraw/zinc/78/28/08/382782808.db2.gz	NARFFLNAWFTHBK-UHFFFAOYSA-N	0	1	273.113	2.921	10	5		CFBEMN
O=C(CN1CCC[C@H]1C1CCCC1)c1cc([N+](=O)[O-])c[nH]1	ZINC000045085225	175303734	/nfs/dbraw/zinc/30/37/34/175303734.db2.gz	FQQCCQOPALPOGV-AWEZNQCLSA-N	0	1	291.351	2.760	10	5		CFBEMN
CN(Cc1cccs1)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000050813480	523448969	/nfs/dbraw/zinc/44/89/69/523448969.db2.gz	YRDYJUIVFQCKNG-UHFFFAOYSA-N	0	1	277.349	2.871	10	5		CFBEMN
Cc1cnc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)o1	ZINC000220917121	526156359	/nfs/dbraw/zinc/15/63/59/526156359.db2.gz	VOPBPGKLZHMXPP-NSHDSACASA-N	0	1	275.308	2.785	10	5		CFBEMN
Cc1ccc([C@H](C)[N@H+](C)C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000086807126	179339941	/nfs/dbraw/zinc/33/99/41/179339941.db2.gz	CQTGOZGQNHQGGB-MNOVXSKESA-N	0	1	280.324	2.617	10	5		CFBEMN
Cc1cccc([N+](=O)[O-])c1N1CCN2CCCC[C@@H]2C1	ZINC000112077189	375882476	/nfs/dbraw/zinc/88/24/76/375882476.db2.gz	SLDJIAVGAIMQNK-CYBMUJFWSA-N	0	1	275.352	2.578	10	5		CFBEMN
CCC[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N(C)C	ZINC000161147613	378826484	/nfs/dbraw/zinc/82/64/84/378826484.db2.gz	HAGOBWUCQMHUSQ-LBPRGKRZSA-N	0	1	279.340	2.572	10	5		CFBEMN
C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCS1	ZINC000171691613	379374732	/nfs/dbraw/zinc/37/47/32/379374732.db2.gz	WEHYZFQGOHCJDO-JTQLQIEISA-N	0	1	252.339	2.532	10	5		CFBEMN
C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000263370788	383660587	/nfs/dbraw/zinc/66/05/87/383660587.db2.gz	YBDOXGSMEXTODK-MRVPVSSYSA-N	0	1	298.726	2.686	10	5		CFBEMN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263313218	292295404	/nfs/dbraw/zinc/29/54/04/292295404.db2.gz	IGPFYYRHKLZMFT-JTNHKYCSSA-N	0	1	292.335	2.617	10	5		CFBEMN
CC(C)[C@H](C)N(C)CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000037338972	173140254	/nfs/dbraw/zinc/14/02/54/173140254.db2.gz	CVCDEBIGBWVRDL-NSHDSACASA-N	0	1	264.325	2.754	10	5		CFBEMN
O=[N+]([O-])c1c(Cl)ncnc1Nc1cccnc1Cl	ZINC000040571572	174338280	/nfs/dbraw/zinc/33/82/80/174338280.db2.gz	IMUCEIOZJIWPKB-UHFFFAOYSA-N	0	1	286.078	2.830	10	5		CFBEMN
CC[C@](C)(N)c1noc(-c2ccc([N+](=O)[O-])cc2C)n1	ZINC000044747986	175243505	/nfs/dbraw/zinc/24/35/05/175243505.db2.gz	KCLPFPVCXYGOEM-ZDUSSCGKSA-N	0	1	276.296	2.537	10	5		CFBEMN
CCOc1ccc(Nc2nc(C)[nH]c2[N+](=O)[O-])cc1	ZINC000004902200	336188064	/nfs/dbraw/zinc/18/80/64/336188064.db2.gz	HHCSRSRUFQXUII-UHFFFAOYSA-N	0	1	262.269	2.769	10	5		CFBEMN
CCN[C@@H](C)c1nnc(-c2cc([N+](=O)[O-])ccc2C)o1	ZINC000050618971	520080799	/nfs/dbraw/zinc/08/07/99/520080799.db2.gz	XVHHVXIKPGKAGD-VIFPVBQESA-N	0	1	276.296	2.624	10	5		CFBEMN
Cc1nc(-c2ccc([N+](=O)[O-])cc2)nc(NN)c1C(C)C	ZINC000061688971	526579093	/nfs/dbraw/zinc/57/90/93/526579093.db2.gz	GAKMOIIMBPRQMX-UHFFFAOYSA-N	0	1	287.323	2.769	10	5		CFBEMN
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]1CCCO	ZINC000093097805	618979157	/nfs/dbraw/zinc/97/91/57/618979157.db2.gz	DXWDZCXOUIUSLL-CYBMUJFWSA-N	0	1	298.770	2.985	10	5		CFBEMN
O=[N+]([O-])c1ccc(CCN2CCO[C@@H]3CCCC[C@H]32)cc1	ZINC000063567585	346704144	/nfs/dbraw/zinc/70/41/44/346704144.db2.gz	RFVFOPSTOCDIEB-HZPDHXFCSA-N	0	1	290.363	2.781	10	5		CFBEMN
Cc1ccc([C@H](C)[N@@H+](C)CCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000086802052	179337570	/nfs/dbraw/zinc/33/75/70/179337570.db2.gz	GTAYUYASIHLURM-NSHDSACASA-N	0	1	280.324	2.761	10	5		CFBEMN
CC(C)(C)OC(=O)Nc1c(O)cccc1[N+](=O)[O-]	ZINC000167588907	348046226	/nfs/dbraw/zinc/04/62/26/348046226.db2.gz	QRRQFUDWWCRXFT-UHFFFAOYSA-N	0	1	254.242	2.647	10	5		CFBEMN
CC[C@@H](C)NC(=O)CN[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000181545960	380823981	/nfs/dbraw/zinc/82/39/81/380823981.db2.gz	GCWMRQYNRCPNGE-BXUZGUMPSA-N	0	1	293.367	2.550	10	5		CFBEMN
O=[N+]([O-])c1cc(O)c(C(F)(F)F)cc1OC(F)F	ZINC000575666004	382782355	/nfs/dbraw/zinc/78/23/55/382782355.db2.gz	HPWRUJGYMNZSFN-UHFFFAOYSA-N	0	1	273.113	2.921	10	5		CFBEMN
CC(C)Sc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000039749527	174172452	/nfs/dbraw/zinc/17/24/52/174172452.db2.gz	YVSODLXUKDZEPZ-UHFFFAOYSA-N	0	1	264.310	2.880	10	5		CFBEMN
O=[N+]([O-])c1ccc(CN[C@H]2C[C@H]2c2ccccc2)o1	ZINC000044675409	175226880	/nfs/dbraw/zinc/22/68/80/175226880.db2.gz	CVICXRZDJUAEHZ-STQMWFEESA-N	0	1	258.277	2.834	10	5		CFBEMN
CC1(C)C[C@H]1NCc1cc([N+](=O)[O-])c(F)cc1F	ZINC000045117796	175311361	/nfs/dbraw/zinc/31/13/61/175311361.db2.gz	QXXWJIVJAYIXHE-LLVKDONJSA-N	0	1	256.252	2.761	10	5		CFBEMN
O=[N+]([O-])c1ccc(CCN2CCO[C@H]3CCCC[C@@H]32)cc1	ZINC000070693828	176002131	/nfs/dbraw/zinc/00/21/31/176002131.db2.gz	RFVFOPSTOCDIEB-HOTGVXAUSA-N	0	1	290.363	2.781	10	5		CFBEMN
COc1ccc([N+](=O)[O-])cc1-c1nnc(C(C)C)[nH]1	ZINC000072237778	176346485	/nfs/dbraw/zinc/34/64/85/176346485.db2.gz	OGMUCQWNYLGTIH-UHFFFAOYSA-N	0	1	262.269	2.512	10	5		CFBEMN
COc1ccc([N+](=O)[O-])cc1-c1nc(C(C)C)n[nH]1	ZINC000072237778	176346487	/nfs/dbraw/zinc/34/64/87/176346487.db2.gz	OGMUCQWNYLGTIH-UHFFFAOYSA-N	0	1	262.269	2.512	10	5		CFBEMN
CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](C)C(=O)[O-]	ZINC000086806939	179339945	/nfs/dbraw/zinc/33/99/45/179339945.db2.gz	HMUKEPSIFONXPT-MFKMUULPSA-N	0	1	280.324	2.698	10	5		CFBEMN
O=[N+]([O-])c1ccc(CCN2CCO[C@H]3CCCC[C@H]32)cc1	ZINC000253356460	131142287	/nfs/dbraw/zinc/14/22/87/131142287.db2.gz	RFVFOPSTOCDIEB-CVEARBPZSA-N	0	1	290.363	2.781	10	5		CFBEMN
C[C@H](NCc1ccncc1)c1ccccc1[N+](=O)[O-]	ZINC000020526217	171239255	/nfs/dbraw/zinc/23/92/55/171239255.db2.gz	OUZPQGZXWPSPGW-NSHDSACASA-N	0	1	257.293	2.841	10	5		CFBEMN
C[C@@H](NCc1ccncc1)c1ccccc1[N+](=O)[O-]	ZINC000020526216	171239519	/nfs/dbraw/zinc/23/95/19/171239519.db2.gz	OUZPQGZXWPSPGW-LLVKDONJSA-N	0	1	257.293	2.841	10	5		CFBEMN
O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H]2c2ccccc2)o1	ZINC000044675415	175226878	/nfs/dbraw/zinc/22/68/78/175226878.db2.gz	CVICXRZDJUAEHZ-CHWSQXEVSA-N	0	1	258.277	2.834	10	5		CFBEMN
O=[N+]([O-])c1cc(F)ccc1N1CCC(c2ccn[nH]2)CC1	ZINC000195498640	280359947	/nfs/dbraw/zinc/35/99/47/280359947.db2.gz	IEVPFNVVGGRSPK-UHFFFAOYSA-N	0	1	290.298	2.841	10	5		CFBEMN
Cc1cccc(N2CCN3CCCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000275461791	281229178	/nfs/dbraw/zinc/22/91/78/281229178.db2.gz	MUMUTZPXNYFCSG-CYBMUJFWSA-N	0	1	275.352	2.578	10	5		CFBEMN
CC(C)(C)OC(=O)Nc1cc(O)ccc1[N+](=O)[O-]	ZINC000140725010	347927306	/nfs/dbraw/zinc/92/73/06/347927306.db2.gz	LBYWOOGCOYSUOC-UHFFFAOYSA-N	0	1	254.242	2.647	10	5		CFBEMN
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1CC(=O)[O-]	ZINC000086791799	179336194	/nfs/dbraw/zinc/33/61/94/179336194.db2.gz	OHHZADOCEMAHKW-WDEREUQCSA-N	0	1	278.308	2.595	10	5		CFBEMN
CC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000086781266	179331336	/nfs/dbraw/zinc/33/13/36/179331336.db2.gz	DVASLBQLQKMGQL-NHYWBVRUSA-N	0	1	292.335	2.843	10	5		CFBEMN
CN(C)Cc1cccc2c(=O)c3ccccc3[nH]c12	ZINC000584640571	348699504	/nfs/dbraw/zinc/69/95/04/348699504.db2.gz	CVTTYDAYFKWCDL-UHFFFAOYSA-N	0	1	252.317	2.743	10	5		CFBEMN
O=c1[nH]c(C(F)(F)F)c(-c2ccncc2)cc1[N+](=O)[O-]	ZINC000575434423	382770858	/nfs/dbraw/zinc/77/08/58/382770858.db2.gz	WUSRFRARGWMFKR-UHFFFAOYSA-N	0	1	285.181	2.776	10	5		CFBEMN
O=[N+]([O-])c1c(Br)c(O)ccc1OC(F)F	ZINC000575683498	382787050	/nfs/dbraw/zinc/78/70/50/382787050.db2.gz	AGOPSKJHLVFQCP-UHFFFAOYSA-N	0	1	284.012	2.664	10	5		CFBEMN
N[C@@H](Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])o1	ZINC000038129223	174131530	/nfs/dbraw/zinc/13/15/30/174131530.db2.gz	UAWKBQBKPUDPCI-JTQLQIEISA-N	0	1	250.229	2.569	10	5		CFBEMN
N[C@H](Cc1cccc(F)c1)c1ccc([N+](=O)[O-])o1	ZINC000038129882	174131802	/nfs/dbraw/zinc/13/18/02/174131802.db2.gz	IFGFBGGGZFPTEG-SNVBAGLBSA-N	0	1	250.229	2.569	10	5		CFBEMN
Cc1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])nc1	ZINC000040659664	174366054	/nfs/dbraw/zinc/36/60/54/174366054.db2.gz	VXMSAKIKAKDJRH-UHFFFAOYSA-N	0	1	289.295	2.619	10	5		CFBEMN
CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000040673511	174371943	/nfs/dbraw/zinc/37/19/43/174371943.db2.gz	BUIZIFZEJCDFPK-VIFPVBQESA-N	0	1	269.732	2.754	10	5		CFBEMN
CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000040673512	174372240	/nfs/dbraw/zinc/37/22/40/174372240.db2.gz	BUIZIFZEJCDFPK-SECBINFHSA-N	0	1	269.732	2.754	10	5		CFBEMN
Cc1nn(C)c(C)c1[C@H](C)NCc1ccc([N+](=O)[O-])cc1	ZINC000045171457	175320910	/nfs/dbraw/zinc/32/09/10/175320910.db2.gz	MKSXGEFWKGLTCS-JTQLQIEISA-N	0	1	288.351	2.796	10	5		CFBEMN
CC(C)N(CCCO)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050445215	519644131	/nfs/dbraw/zinc/64/41/31/519644131.db2.gz	JGCCQTWJOFIEOT-UHFFFAOYSA-N	0	1	286.759	2.841	10	5		CFBEMN
CCN[C@H](C)c1nnc(-c2c(C)cccc2[N+](=O)[O-])o1	ZINC000050619022	520181483	/nfs/dbraw/zinc/18/14/83/520181483.db2.gz	BFOCBEITONIHMQ-SECBINFHSA-N	0	1	276.296	2.624	10	5		CFBEMN
O=C(CNCCc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000041612383	346353430	/nfs/dbraw/zinc/35/34/30/346353430.db2.gz	UCYQUPNCDDXBMJ-UHFFFAOYSA-N	0	1	284.315	2.610	10	5		CFBEMN
CC[C@H](NCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1	ZINC000038005921	346336805	/nfs/dbraw/zinc/33/68/05/346336805.db2.gz	PJKHGWCENDVPOD-ZDUSSCGKSA-N	0	1	260.297	2.559	10	5		CFBEMN
CCn1cccc1CNCc1ccc([N+](=O)[O-])cc1	ZINC000091025396	180089594	/nfs/dbraw/zinc/08/95/94/180089594.db2.gz	VCILVKWSVWKQNW-UHFFFAOYSA-N	0	1	259.309	2.706	10	5		CFBEMN
O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2c(O)cccc12	ZINC000000020439	371509306	/nfs/dbraw/zinc/50/93/06/371509306.db2.gz	FKPMZNSEGYFIDN-UHFFFAOYSA-N	0	1	283.243	2.616	10	5	in-vivo	CFBEMN
C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl	ZINC000134253961	377996787	/nfs/dbraw/zinc/99/67/87/377996787.db2.gz	RXTFKEQKFWQTAC-QPUJVOFHSA-N	0	1	270.716	2.515	10	5		CFBEMN
CN[C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1	ZINC000035458643	172207412	/nfs/dbraw/zinc/20/74/12/172207412.db2.gz	VNORMWCMXWGZOS-NSHDSACASA-N	0	1	252.295	2.867	10	5		CFBEMN
Cc1cc(NC(=O)[C@H](N)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000043570249	175068019	/nfs/dbraw/zinc/06/80/19/175068019.db2.gz	IFCSINRHTVPNEE-CQSZACIVSA-N	0	1	285.303	2.542	10	5		CFBEMN
O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1CCCO	ZINC000052762666	275033299	/nfs/dbraw/zinc/03/32/99/275033299.db2.gz	KTWQQGDIOMDXPE-ZDUSSCGKSA-N	0	1	298.770	2.985	10	5		CFBEMN
CCCNc1ccc([N+](=O)[O-])cc1CN(CC)CCOC	ZINC000050816675	520171506	/nfs/dbraw/zinc/17/15/06/520171506.db2.gz	ZVKCESNEOLVUTF-UHFFFAOYSA-N	0	1	295.383	2.885	10	5		CFBEMN
CCNc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCCO1	ZINC000050815915	520328798	/nfs/dbraw/zinc/32/87/98/520328798.db2.gz	ZDMQFTGGDQVSHX-AWEZNQCLSA-N	0	1	293.367	2.637	10	5		CFBEMN
CCO[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2NC)C1	ZINC000050818050	520528330	/nfs/dbraw/zinc/52/83/30/520528330.db2.gz	VKSZCXHMNUZIIL-AWEZNQCLSA-N	0	1	293.367	2.637	10	5		CFBEMN
CNc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCCCO1	ZINC000050815068	522644388	/nfs/dbraw/zinc/64/43/88/522644388.db2.gz	ZCEQBEBDFQORNA-CQSZACIVSA-N	0	1	293.367	2.637	10	5		CFBEMN
O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050444739	527629022	/nfs/dbraw/zinc/62/90/22/527629022.db2.gz	LRSAKDYLGWDUDI-NSHDSACASA-N	0	1	298.726	2.687	10	5		CFBEMN
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000086816825	179344801	/nfs/dbraw/zinc/34/48/01/179344801.db2.gz	QZPKLAFGCDQPEW-YGRLFVJLSA-N	0	1	278.308	2.595	10	5		CFBEMN
CCc1c(OC(F)(F)F)ccc(O)c1[N+](=O)[O-]	ZINC000575706847	382792532	/nfs/dbraw/zinc/79/25/32/382792532.db2.gz	XXOZXHLYLPWKDQ-UHFFFAOYSA-N	0	1	251.160	2.761	10	5		CFBEMN
Cc1cc([N+](=O)[O-])cc2c1NS(=O)(=O)c1ccccc1-2	ZINC000005277035	170082146	/nfs/dbraw/zinc/08/21/46/170082146.db2.gz	IJCUOBUTLSOHSZ-UHFFFAOYSA-N	0	1	290.300	2.684	10	5		CFBEMN
O=C(Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1O	ZINC000008189963	170323458	/nfs/dbraw/zinc/32/34/58/170323458.db2.gz	BUBKPNBPMHINJU-UHFFFAOYSA-N	0	1	278.289	2.543	10	5		CFBEMN
O=[N+]([O-])c1ccc(N[C@H]2CN3CCC2CC3)c(Cl)c1	ZINC000020549295	171246454	/nfs/dbraw/zinc/24/64/54/171246454.db2.gz	TUHSCQHNESAAJB-ZDUSSCGKSA-N	0	1	281.743	2.754	10	5		CFBEMN
O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CN2CCC1CC2	ZINC000021518119	171314231	/nfs/dbraw/zinc/31/42/31/171314231.db2.gz	MCFVZMGEXGLVDW-LBPRGKRZSA-N	0	1	281.743	2.754	10	5		CFBEMN
O=[N+]([O-])c1ccccc1-c1nc(CNC2CC2)cs1	ZINC000044732104	175240787	/nfs/dbraw/zinc/24/07/87/175240787.db2.gz	GVDAUPACJKAGKH-UHFFFAOYSA-N	0	1	275.333	2.970	10	5		CFBEMN
CC[C@@](C)(N)c1noc(-c2ccc([N+](=O)[O-])cc2C)n1	ZINC000044747987	175243680	/nfs/dbraw/zinc/24/36/80/175243680.db2.gz	KCLPFPVCXYGOEM-CYBMUJFWSA-N	0	1	276.296	2.537	10	5		CFBEMN
CCC[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])cc2C)n1	ZINC000044747977	175243691	/nfs/dbraw/zinc/24/36/91/175243691.db2.gz	XYNAESRZOHHCCM-LLVKDONJSA-N	0	1	276.296	2.753	10	5		CFBEMN
CC(C)CN1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302850461	275577328	/nfs/dbraw/zinc/57/73/28/275577328.db2.gz	IMZAFGUDFJVHRY-UHFFFAOYSA-N	0	1	281.331	2.512	10	5		CFBEMN
CCN[C@@H](C)c1nnc(-c2c(C)cccc2[N+](=O)[O-])o1	ZINC000050619021	520080213	/nfs/dbraw/zinc/08/02/13/520080213.db2.gz	BFOCBEITONIHMQ-VIFPVBQESA-N	0	1	276.296	2.624	10	5		CFBEMN
CCCNc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)COC	ZINC000050815228	520170701	/nfs/dbraw/zinc/17/07/01/520170701.db2.gz	SHWZVMKAQQKKDO-GFCCVEGCSA-N	0	1	295.383	2.883	10	5		CFBEMN
O=[N+]([O-])c1cc(Cl)ccc1NCc1cnc[nH]1	ZINC000054764403	527333823	/nfs/dbraw/zinc/33/38/23/527333823.db2.gz	VOOVGCIDTCFRNH-UHFFFAOYSA-N	0	1	252.661	2.583	10	5		CFBEMN
CCCN(CC1CC1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000090448217	347548720	/nfs/dbraw/zinc/54/87/20/347548720.db2.gz	LHYKVTHMHVRUCU-UHFFFAOYSA-N	0	1	250.298	2.927	10	5		CFBEMN
CC[C@H](C(=O)[O-])[N@@H+](C)[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000086802832	179337686	/nfs/dbraw/zinc/33/76/86/179337686.db2.gz	XMGHQIQBVJLNON-CMPLNLGQSA-N	0	1	280.324	2.759	10	5		CFBEMN
C[C@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl	ZINC000134253980	377996735	/nfs/dbraw/zinc/99/67/35/377996735.db2.gz	RXTFKEQKFWQTAC-PELKAZGASA-N	0	1	270.716	2.515	10	5		CFBEMN
O=[N+]([O-])c1cccc(CN2CC[C@H](Oc3cccnc3)C2)c1	ZINC000152507399	378422450	/nfs/dbraw/zinc/42/24/50/378422450.db2.gz	NSLDZJZLIJBGII-INIZCTEOSA-N	0	1	299.330	2.643	10	5		CFBEMN
O=c1c2ccccc2cc(O)n1-c1cccc([N+](=O)[O-])c1	ZINC000005518215	170107210	/nfs/dbraw/zinc/10/72/10/170107210.db2.gz	IYQCUFUUKCBWEH-UHFFFAOYSA-N	0	1	282.255	2.605	10	5		CFBEMN
CCN[C@@H](c1ccc([N+](=O)[O-])o1)c1cccs1	ZINC000035545231	172253295	/nfs/dbraw/zinc/25/32/95/172253295.db2.gz	SRRBYKGQZIUFQS-NSHDSACASA-N	0	1	252.295	2.948	10	5		CFBEMN
CCN(CC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C	ZINC000037336243	173136832	/nfs/dbraw/zinc/13/68/32/173136832.db2.gz	SIFIAQHMDJPQFM-UHFFFAOYSA-N	0	1	264.325	2.755	10	5		CFBEMN
CC(C)(C)c1nnc(COc2ccccc2[N+](=O)[O-])[nH]1	ZINC000072237533	176346302	/nfs/dbraw/zinc/34/63/02/176346302.db2.gz	HREPNVGVYFGZJD-UHFFFAOYSA-N	0	1	276.296	2.589	10	5		CFBEMN
CC(C)(C)c1nc(COc2ccccc2[N+](=O)[O-])n[nH]1	ZINC000072237533	176346304	/nfs/dbraw/zinc/34/63/04/176346304.db2.gz	HREPNVGVYFGZJD-UHFFFAOYSA-N	0	1	276.296	2.589	10	5		CFBEMN
CCN[C@@H](C)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000050618773	520080326	/nfs/dbraw/zinc/08/03/26/520080326.db2.gz	GMCNGJCCPDULMT-ZETCQYMHSA-N	0	1	296.714	2.969	10	5		CFBEMN
C[C@@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1Br	ZINC000052278844	525498813	/nfs/dbraw/zinc/49/88/13/525498813.db2.gz	XDMPZCIGJCBPTD-RDDDGLTNSA-N	0	1	285.141	2.855	10	5		CFBEMN
O=[N+]([O-])c1cc(CN2CCC[C@@H]2CCCO)ccc1Cl	ZINC000052759535	618195673	/nfs/dbraw/zinc/19/56/73/618195673.db2.gz	LOMKVYDQAZMAPM-GFCCVEGCSA-N	0	1	298.770	2.985	10	5		CFBEMN
Cc1cnn(CCNCc2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000227210446	623100978	/nfs/dbraw/zinc/10/09/78/623100978.db2.gz	VMRFDFHINHKRRD-UHFFFAOYSA-N	0	1	294.742	2.543	10	5		CFBEMN
CCC[C@]1(C(=O)[O-])CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1	ZINC000086781643	179331118	/nfs/dbraw/zinc/33/11/18/179331118.db2.gz	BFNHMWFZLHNOFM-ZDUSSCGKSA-N	0	1	298.364	2.733	10	5		CFBEMN
CC[C@H](C)NC(=O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000181545945	380823306	/nfs/dbraw/zinc/82/33/06/380823306.db2.gz	GCWMRQYNRCPNGE-FZMZJTMJSA-N	0	1	293.367	2.550	10	5		CFBEMN
O=[N+]([O-])c1c(OC(F)F)ccc(O)c1C(F)(F)F	ZINC000575668799	382783143	/nfs/dbraw/zinc/78/31/43/382783143.db2.gz	XCYWGAYHERLGQV-UHFFFAOYSA-N	0	1	273.113	2.921	10	5		CFBEMN
O=[N+]([O-])c1ccc(OC(F)F)c(O)c1Br	ZINC000575688295	382788493	/nfs/dbraw/zinc/78/84/93/382788493.db2.gz	WUEICXLZYBZSBX-UHFFFAOYSA-N	0	1	284.012	2.664	10	5		CFBEMN
O=[N+]([O-])c1cc2c(Br)[nH]nc2cc1Cl	ZINC000014985641	285098116	/nfs/dbraw/zinc/09/81/16/285098116.db2.gz	FGYSCNYPUOOGLY-UHFFFAOYSA-N	0	1	276.477	2.887	10	5		CFBEMN
CC(C)[C@@H](C)N(C)CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000037338971	173140808	/nfs/dbraw/zinc/14/08/08/173140808.db2.gz	CVCDEBIGBWVRDL-LLVKDONJSA-N	0	1	264.325	2.754	10	5		CFBEMN
N[C@H](Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])o1	ZINC000038129224	174131965	/nfs/dbraw/zinc/13/19/65/174131965.db2.gz	UAWKBQBKPUDPCI-SNVBAGLBSA-N	0	1	250.229	2.569	10	5		CFBEMN
O=c1nc[nH]c2cc(-c3ccc([N+](=O)[O-])cc3F)sc21	ZINC000044428028	175175629	/nfs/dbraw/zinc/17/56/29/175175629.db2.gz	VNJCEXPXGBWSRC-UHFFFAOYSA-N	0	1	291.263	2.699	10	5		CFBEMN
CCN[C@H](C)c1nnc(-c2cc([N+](=O)[O-])ccc2C)o1	ZINC000050618972	520181141	/nfs/dbraw/zinc/18/11/41/520181141.db2.gz	XVHHVXIKPGKAGD-SECBINFHSA-N	0	1	276.296	2.624	10	5		CFBEMN
CCN(Cc1cc([N+](=O)[O-])ccc1NC)C[C@@H]1CCCO1	ZINC000050815167	521296838	/nfs/dbraw/zinc/29/68/38/521296838.db2.gz	GIGZDMQNRWEUSA-AWEZNQCLSA-N	0	1	293.367	2.637	10	5		CFBEMN
Cc1cnc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)o1	ZINC000220917070	526123922	/nfs/dbraw/zinc/12/39/22/526123922.db2.gz	VOPBPGKLZHMXPP-LLVKDONJSA-N	0	1	275.308	2.785	10	5		CFBEMN
Cc1nc(-c2cccc([N+](=O)[O-])c2)nc(NN)c1C(C)C	ZINC000061688972	526594580	/nfs/dbraw/zinc/59/45/80/526594580.db2.gz	KCWVDJWTSQXTJN-UHFFFAOYSA-N	0	1	287.323	2.769	10	5		CFBEMN
NCc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1	ZINC000061799224	527263937	/nfs/dbraw/zinc/26/39/37/527263937.db2.gz	NGTNNDIAPQWIBO-UHFFFAOYSA-N	0	1	269.713	2.830	10	5		CFBEMN
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000086815008	179343344	/nfs/dbraw/zinc/34/33/44/179343344.db2.gz	DAEFJNTXVGVPGX-SMDDNHRTSA-N	0	1	292.335	2.985	10	5		CFBEMN
C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC000086816661	179343737	/nfs/dbraw/zinc/34/37/37/179343737.db2.gz	DCOCRIGLOHYLMJ-HZMBPMFUSA-N	0	1	278.308	2.595	10	5		CFBEMN
Cc1ccc([C@H](C)[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000086816198	179344055	/nfs/dbraw/zinc/34/40/55/179344055.db2.gz	KCYKTHMIDYUXFI-NHYWBVRUSA-N	0	1	292.335	2.903	10	5		CFBEMN
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	ZINC000013154325	372018283	/nfs/dbraw/zinc/01/82/83/372018283.db2.gz	ZFAHRSYYEJMLHM-KFWWJZLASA-N	0	1	267.284	2.928	10	5		CFBEMN
CCc1cc(OC(F)(F)F)c(O)c([N+](=O)[O-])c1	ZINC000575705055	382791883	/nfs/dbraw/zinc/79/18/83/382791883.db2.gz	DOTOBQLNXKQNFI-UHFFFAOYSA-N	0	1	251.160	2.761	10	5		CFBEMN
CC(C)(C)Nc1ncnc(Nc2ccncc2)c1[N+](=O)[O-]	ZINC000040581483	174344921	/nfs/dbraw/zinc/34/49/21/174344921.db2.gz	UYZPFFCZZUFRPH-UHFFFAOYSA-N	0	1	288.311	2.734	10	5		CFBEMN
CCC[C@@](C)(N)c1nc(-c2ccccc2[N+](=O)[O-])no1	ZINC000044732013	175240758	/nfs/dbraw/zinc/24/07/58/175240758.db2.gz	JDIUOVOTIQTEGR-CYBMUJFWSA-N	0	1	276.296	2.619	10	5		CFBEMN
Cc1cc([N+](=O)[O-])ccc1-c1cc2[nH]cnc(=O)c2s1	ZINC000044747842	175243574	/nfs/dbraw/zinc/24/35/74/175243574.db2.gz	OQIAVIHPGLINHR-UHFFFAOYSA-N	0	1	287.300	2.868	10	5		CFBEMN
CN[C@@H](C)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000050618356	522339695	/nfs/dbraw/zinc/33/96/95/522339695.db2.gz	OGIKAIFVLXSGHN-LURJTMIESA-N	0	1	282.687	2.579	10	5		CFBEMN
CCN1CCC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1	ZINC000311717277	521650069	/nfs/dbraw/zinc/65/00/69/521650069.db2.gz	TXJDJNSSKGAGKZ-JTQLQIEISA-N	0	1	267.304	2.630	10	5		CFBEMN
O=[N+]([O-])c1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1	ZINC000160543612	527348716	/nfs/dbraw/zinc/34/87/16/527348716.db2.gz	VWMBVUPKCKKCBM-UHFFFAOYSA-N	0	1	286.335	2.698	10	5		CFBEMN
CN1CCN(c2cc([N+](=O)[O-])ccc2C(C)(C)C)CC1	ZINC000113849731	347769574	/nfs/dbraw/zinc/76/95/74/347769574.db2.gz	XBGPTMIFEIEJMD-UHFFFAOYSA-N	0	1	277.368	2.644	10	5		CFBEMN
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000086815010	179343654	/nfs/dbraw/zinc/34/36/54/179343654.db2.gz	DAEFJNTXVGVPGX-BXUZGUMPSA-N	0	1	292.335	2.985	10	5		CFBEMN
CCOC(=O)c1cc([N+](=O)[O-])c(=O)[nH]c1-c1ccccc1	ZINC000575434099	382770872	/nfs/dbraw/zinc/77/08/72/382770872.db2.gz	FUAZJPFJBUMYSU-UHFFFAOYSA-N	0	1	288.259	2.539	10	5		CFBEMN
Cc1cccc(N2CCN3CCCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000275461801	394046953	/nfs/dbraw/zinc/04/69/53/394046953.db2.gz	MUMUTZPXNYFCSG-ZDUSSCGKSA-N	0	1	275.352	2.578	10	5		CFBEMN
C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccncc1	ZINC000020121664	171001093	/nfs/dbraw/zinc/00/10/93/171001093.db2.gz	XTELGUKQBDRSOU-NSHDSACASA-N	0	1	257.293	2.841	10	5		CFBEMN
C[C@H](Cc1ccco1)NCc1ccc([N+](=O)[O-])o1	ZINC000037291922	173096859	/nfs/dbraw/zinc/09/68/59/173096859.db2.gz	ULMIMTHOIGRCNC-SECBINFHSA-N	0	1	250.254	2.502	10	5		CFBEMN
O=[N+]([O-])c1ccc(CNc2ccc3c[nH]nc3c2)o1	ZINC000037317184	173117298	/nfs/dbraw/zinc/11/72/98/173117298.db2.gz	WZAQNROZIOPGHX-UHFFFAOYSA-N	0	1	258.237	2.676	10	5		CFBEMN
CCCN[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2F)o1	ZINC000050619378	520067980	/nfs/dbraw/zinc/06/79/80/520067980.db2.gz	GMHWLALQABXSMO-MRVPVSSYSA-N	0	1	294.286	2.845	10	5		CFBEMN
CCO[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2NC)C1	ZINC000050818049	520320332	/nfs/dbraw/zinc/32/03/32/520320332.db2.gz	VKSZCXHMNUZIIL-CQSZACIVSA-N	0	1	293.367	2.637	10	5		CFBEMN
CCNc1ccc([N+](=O)[O-])cc1CN1CCC(OC)CC1	ZINC000050813400	520330680	/nfs/dbraw/zinc/33/06/80/520330680.db2.gz	HPDIVYHEPLGDQL-UHFFFAOYSA-N	0	1	293.367	2.637	10	5		CFBEMN
CC[C@@](C)(N)c1noc(-c2cc(F)c(F)cc2[N+](=O)[O-])n1	ZINC000050017538	523645430	/nfs/dbraw/zinc/64/54/30/523645430.db2.gz	HEYIAENSOSDXHS-GFCCVEGCSA-N	0	1	298.249	2.507	10	5		CFBEMN
O=[N+]([O-])c1cc(NCc2cnc[nH]2)ccc1Cl	ZINC000054764687	527338677	/nfs/dbraw/zinc/33/86/77/527338677.db2.gz	YDNUGHDELMYCCZ-UHFFFAOYSA-N	0	1	252.661	2.583	10	5		CFBEMN
Cc1ccc([C@H](C)[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000086790941	179335111	/nfs/dbraw/zinc/33/51/11/179335111.db2.gz	XNHGHLNLCZHUHP-WCQYABFASA-N	0	1	292.335	2.903	10	5		CFBEMN
CC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](C)C(=O)[O-]	ZINC000086806942	179339095	/nfs/dbraw/zinc/33/90/95/179339095.db2.gz	HMUKEPSIFONXPT-ZWNOBZJWSA-N	0	1	280.324	2.698	10	5		CFBEMN
CCn1cccc1CNCc1ccccc1[N+](=O)[O-]	ZINC000091127604	180099491	/nfs/dbraw/zinc/09/94/91/180099491.db2.gz	KYMGYVZQVFXKRW-UHFFFAOYSA-N	0	1	259.309	2.706	10	5		CFBEMN
CCc1nc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000160499548	378777296	/nfs/dbraw/zinc/77/72/96/378777296.db2.gz	GFIKNVXNAURORS-LBPRGKRZSA-N	0	1	289.339	2.516	10	5		CFBEMN
Cc1cccc([N+](=O)[O-])c1N1CCN2CCCC[C@H]2C1	ZINC000301253482	382122439	/nfs/dbraw/zinc/12/24/39/382122439.db2.gz	SLDJIAVGAIMQNK-ZDUSSCGKSA-N	0	1	275.352	2.578	10	5		CFBEMN
CCOC(=O)c1nc2cc3ccccc3cc2c(=O)[nH]1	ZINC000039234325	174166662	/nfs/dbraw/zinc/16/66/62/174166662.db2.gz	CUBUBHFZJHVYFR-UHFFFAOYSA-N	0	1	268.272	2.665	10	5		CFBEMN
CC[C@H](NC)c1nc(-c2cc([N+](=O)[O-])ccc2C)no1	ZINC000050441225	522557663	/nfs/dbraw/zinc/55/76/63/522557663.db2.gz	YZGNPEOJYSLWNH-NSHDSACASA-N	0	1	276.296	2.624	10	5		CFBEMN
Cc1ccc([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)o1	ZINC000182602727	525922632	/nfs/dbraw/zinc/92/26/32/525922632.db2.gz	JGLZUEYSGNRQFF-SMDDNHRTSA-N	0	1	290.319	2.880	10	5		CFBEMN
Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]2CCCCN2)n1	ZINC000050441162	526069439	/nfs/dbraw/zinc/06/94/39/526069439.db2.gz	QAEJUKIWKCGBHS-LBPRGKRZSA-N	0	1	288.307	2.768	10	5		CFBEMN
CC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1	ZINC000111690360	618162151	/nfs/dbraw/zinc/16/21/51/618162151.db2.gz	HOMLPNINCYBCTP-CQSZACIVSA-N	0	1	276.336	2.704	10	5		CFBEMN
O=C(Oc1ccccc1)c1cc([N+](=O)[O-])ccc1O	ZINC000039207098	346342452	/nfs/dbraw/zinc/34/24/52/346342452.db2.gz	VRFZRHOUUNUZKI-UHFFFAOYSA-N	0	1	259.217	2.520	10	5		CFBEMN
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1CC(=O)[O-]	ZINC000086791802	179335771	/nfs/dbraw/zinc/33/57/71/179335771.db2.gz	OHHZADOCEMAHKW-GHMZBOCLSA-N	0	1	278.308	2.595	10	5		CFBEMN
O=[N+]([O-])c1ccccc1CN1CC[C@@H](Oc2cccnc2)C1	ZINC000152516200	378424136	/nfs/dbraw/zinc/42/41/36/378424136.db2.gz	VAUQSMAJRPAWMR-OAHLLOKOSA-N	0	1	299.330	2.643	10	5		CFBEMN
O=C(CN1CCC[C@@H]1C1CCCC1)c1cc([N+](=O)[O-])c[nH]1	ZINC000045085222	175303616	/nfs/dbraw/zinc/30/36/16/175303616.db2.gz	FQQCCQOPALPOGV-CQSZACIVSA-N	0	1	291.351	2.760	10	5		CFBEMN
CC(C)(C)c1nnc(COc2cccc([N+](=O)[O-])c2)[nH]1	ZINC000072236777	176345615	/nfs/dbraw/zinc/34/56/15/176345615.db2.gz	WIEKQPCUQDXRKM-UHFFFAOYSA-N	0	1	276.296	2.589	10	5		CFBEMN
CC(C)(C)c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000072236777	176345616	/nfs/dbraw/zinc/34/56/16/176345616.db2.gz	WIEKQPCUQDXRKM-UHFFFAOYSA-N	0	1	276.296	2.589	10	5		CFBEMN
CCN[C@H](C)c1nnc(-c2cccc(C)c2[N+](=O)[O-])o1	ZINC000050618756	520183566	/nfs/dbraw/zinc/18/35/66/520183566.db2.gz	MYKOBZZWTDWTBH-SECBINFHSA-N	0	1	276.296	2.624	10	5		CFBEMN
CCCO[C@@H]1CCCN(Cc2ccc(N)c([N+](=O)[O-])c2)C1	ZINC000050817962	520274246	/nfs/dbraw/zinc/27/42/46/520274246.db2.gz	OEFKXYCEBBOKEG-CYBMUJFWSA-N	0	1	293.367	2.568	10	5		CFBEMN
CCCO[C@H]1CCCN(Cc2ccc(N)c([N+](=O)[O-])c2)C1	ZINC000050817963	520285006	/nfs/dbraw/zinc/28/50/06/520285006.db2.gz	OEFKXYCEBBOKEG-ZDUSSCGKSA-N	0	1	293.367	2.568	10	5		CFBEMN
CCO[C@H]1CCCN(Cc2ccc(NC)c([N+](=O)[O-])c2)C1	ZINC000050818048	520526870	/nfs/dbraw/zinc/52/68/70/520526870.db2.gz	KCNUHSFGXNXGFT-ZDUSSCGKSA-N	0	1	293.367	2.637	10	5		CFBEMN
CCN(Cc1ccncc1)Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000050815594	521422117	/nfs/dbraw/zinc/42/21/17/521422117.db2.gz	UWONRPUWMCLDAC-UHFFFAOYSA-N	0	1	286.335	2.594	10	5		CFBEMN
O=[N+]([O-])c1ccc(CN2CCC[C@@H]2CCCO)c(Cl)c1	ZINC000052762375	527349625	/nfs/dbraw/zinc/34/96/25/527349625.db2.gz	RSGUZVJEKRHEGA-GFCCVEGCSA-N	0	1	298.770	2.985	10	5		CFBEMN
CC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000086781351	179331385	/nfs/dbraw/zinc/33/13/85/179331385.db2.gz	VWPGCOBAGFDWRQ-NHYWBVRUSA-N	0	1	292.335	2.843	10	5		CFBEMN
Cc1cc([N+](=O)[O-])ccc1CN1CCS[C@@H](C)C1	ZINC000183328749	189354979	/nfs/dbraw/zinc/35/49/79/189354979.db2.gz	SGOMBJOUPYCQGP-NSHDSACASA-N	0	1	266.366	2.841	10	5		CFBEMN
O=[N+]([O-])c1cccnc1Nc1ccc2nc[nH]c2c1	ZINC000089195169	374886643	/nfs/dbraw/zinc/88/66/43/374886643.db2.gz	NTQCFGBYNJPARC-UHFFFAOYSA-N	0	1	255.237	2.610	10	5		CFBEMN
CCCNC(=O)[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000090068543	374990076	/nfs/dbraw/zinc/99/00/76/374990076.db2.gz	UBYFSHQXXQFFHK-RISCZKNCSA-N	0	1	293.367	2.550	10	5		CFBEMN
O=[N+]([O-])c1cc(O)c(Br)cc1OC(F)F	ZINC000575687148	382788265	/nfs/dbraw/zinc/78/82/65/382788265.db2.gz	RHXFHHSHQVOLGJ-UHFFFAOYSA-N	0	1	284.012	2.664	10	5		CFBEMN
CCc1ccc(OC(F)(F)F)c(O)c1[N+](=O)[O-]	ZINC000575704398	382791821	/nfs/dbraw/zinc/79/18/21/382791821.db2.gz	AIUIXRFYFHQOIT-UHFFFAOYSA-N	0	1	251.160	2.761	10	5		CFBEMN
CCc1cc(O)c([N+](=O)[O-])cc1OC(F)(F)F	ZINC000575705007	382791889	/nfs/dbraw/zinc/79/18/89/382791889.db2.gz	DFTOPPDBBGRHEO-UHFFFAOYSA-N	0	1	251.160	2.761	10	5		CFBEMN
Cc1[nH]ncc1CNc1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000038011943	173981149	/nfs/dbraw/zinc/98/11/49/173981149.db2.gz	KQQZTRDGLAMRQZ-UHFFFAOYSA-N	0	1	283.291	2.787	10	5		CFBEMN
CCC(N)(CC)c1noc(-c2ccc([N+](=O)[O-])cc2C)n1	ZINC000044747985	175243593	/nfs/dbraw/zinc/24/35/93/175243593.db2.gz	BEDLINKBNZTGFK-UHFFFAOYSA-N	0	1	290.323	2.927	10	5		CFBEMN
CC(C)(C)c1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1	ZINC000072236667	176345796	/nfs/dbraw/zinc/34/57/96/176345796.db2.gz	VYOBTENKHZTNPY-UHFFFAOYSA-N	0	1	260.297	2.601	10	5		CFBEMN
C[C@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1Br	ZINC000052278842	524852735	/nfs/dbraw/zinc/85/27/35/524852735.db2.gz	XDMPZCIGJCBPTD-CPCISQLKSA-N	0	1	285.141	2.855	10	5		CFBEMN
O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050444738	527635995	/nfs/dbraw/zinc/63/59/95/527635995.db2.gz	LRSAKDYLGWDUDI-LLVKDONJSA-N	0	1	298.726	2.687	10	5		CFBEMN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263313219	620132316	/nfs/dbraw/zinc/13/23/16/620132316.db2.gz	IGPFYYRHKLZMFT-UHIISALHSA-N	0	1	292.335	2.617	10	5		CFBEMN
C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCCC[C@@H]1C(=O)[O-]	ZINC000086814770	179343262	/nfs/dbraw/zinc/34/32/62/179343262.db2.gz	RFDAJKQXYPMKAG-SMDDNHRTSA-N	0	1	292.335	2.985	10	5		CFBEMN
COc1ccc(-c2cc([N+](=O)[O-])ccc2O)cc1OC	ZINC000196187409	348147715	/nfs/dbraw/zinc/14/77/15/348147715.db2.gz	ATEOXYVBXSRZLE-UHFFFAOYSA-N	0	1	275.260	2.985	10	5		CFBEMN
Cc1cnn(CCNCc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000105908559	186087054	/nfs/dbraw/zinc/08/70/54/186087054.db2.gz	BVYGJTHJUQXYFC-UHFFFAOYSA-N	0	1	294.742	2.543	10	5		CFBEMN
CCC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N(C)C	ZINC000161147714	188511188	/nfs/dbraw/zinc/51/11/88/188511188.db2.gz	HAGOBWUCQMHUSQ-GFCCVEGCSA-N	0	1	279.340	2.572	10	5		CFBEMN
CNc1ccc(CN2CCCSCC2)cc1[N+](=O)[O-]	ZINC000050817856	522608617	/nfs/dbraw/zinc/60/86/17/522608617.db2.gz	SZXIESUYKNBYJG-UHFFFAOYSA-N	0	1	281.381	2.575	10	5		CFBEMN
NC1(c2noc(-c3ccc([N+](=O)[O-])cc3)n2)CCCCC1	ZINC000041153335	283408607	/nfs/dbraw/zinc/40/86/07/283408607.db2.gz	PABUKGJPECYJON-UHFFFAOYSA-N	0	1	288.307	2.763	10	5		CFBEMN
O=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)cc3)n[nH]2)cc1	ZINC000000505371	371632234	/nfs/dbraw/zinc/63/22/34/371632234.db2.gz	SWUYWKBVRFNCMY-UHFFFAOYSA-N	0	1	282.259	2.753	10	5		CFBEMN
O=[N+]([O-])c1ccccc1CN1CC[C@H](Oc2cccnc2)C1	ZINC000152516096	378423873	/nfs/dbraw/zinc/42/38/73/378423873.db2.gz	VAUQSMAJRPAWMR-HNNXBMFYSA-N	0	1	299.330	2.643	10	5		CFBEMN
CCc1nc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000160499669	378777325	/nfs/dbraw/zinc/77/73/25/378777325.db2.gz	GFIKNVXNAURORS-GFCCVEGCSA-N	0	1	289.339	2.516	10	5		CFBEMN
O=[N+]([O-])c1cc(C(F)F)cc(OC(F)F)c1O	ZINC000575662978	382781981	/nfs/dbraw/zinc/78/19/81/382781981.db2.gz	NFRRDGNGBPXYQQ-UHFFFAOYSA-N	0	1	255.123	2.839	10	5		CFBEMN
N[C@H](Cc1ccccc1F)c1ccc([N+](=O)[O-])o1	ZINC000038130038	174131641	/nfs/dbraw/zinc/13/16/41/174131641.db2.gz	BNGTYPOVIFTQHD-SNVBAGLBSA-N	0	1	250.229	2.569	10	5		CFBEMN
COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(-c2ccco2)n1	ZINC000072237777	176346838	/nfs/dbraw/zinc/34/68/38/176346838.db2.gz	VOCJJRARKAGIII-UHFFFAOYSA-N	0	1	286.247	2.649	10	5		CFBEMN
CCN[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000050618993	520080023	/nfs/dbraw/zinc/08/00/23/520080023.db2.gz	JOXPYMWSFFIAEN-VIFPVBQESA-N	0	1	276.296	2.624	10	5		CFBEMN
CCN[C@@H](C)c1nnc(-c2ccc(C)c([N+](=O)[O-])c2)o1	ZINC000050618753	520080372	/nfs/dbraw/zinc/08/03/72/520080372.db2.gz	IMNKLEMFDPOBSX-VIFPVBQESA-N	0	1	276.296	2.624	10	5		CFBEMN
CCN[C@@H](C)c1nnc(-c2cccc(C)c2[N+](=O)[O-])o1	ZINC000050618755	520082199	/nfs/dbraw/zinc/08/21/99/520082199.db2.gz	MYKOBZZWTDWTBH-VIFPVBQESA-N	0	1	276.296	2.624	10	5		CFBEMN
CCNc1ccc(CN2CCC(OC)CC2)cc1[N+](=O)[O-]	ZINC000050813398	520301546	/nfs/dbraw/zinc/30/15/46/520301546.db2.gz	WCPVPOICDDODRN-UHFFFAOYSA-N	0	1	293.367	2.637	10	5		CFBEMN
CCOC1CCN(Cc2cc([N+](=O)[O-])ccc2NC)CC1	ZINC000050814618	521656782	/nfs/dbraw/zinc/65/67/82/521656782.db2.gz	AVFZMXGOQNOONA-UHFFFAOYSA-N	0	1	293.367	2.637	10	5		CFBEMN
O=[N+]([O-])c1cccc(CN2CCC(c3cc[nH]n3)CC2)c1	ZINC000160544909	527386086	/nfs/dbraw/zinc/38/60/86/527386086.db2.gz	JCIBEYLRGRKGKT-UHFFFAOYSA-N	0	1	286.335	2.698	10	5		CFBEMN
O=[N+]([O-])c1cc(OC(F)F)c(O)cc1OC(F)(F)F	ZINC000575666084	382782296	/nfs/dbraw/zinc/78/22/96/382782296.db2.gz	GNLCNDDKWLGENO-UHFFFAOYSA-N	0	1	289.112	2.800	10	5		CFBEMN
CCCN(CCN(C)C)c1ccc(C(C)=O)cc1[N+](=O)[O-]	ZINC000044572268	175209710	/nfs/dbraw/zinc/20/97/10/175209710.db2.gz	JNOJUQXGTBBNTH-UHFFFAOYSA-N	0	1	293.367	2.575	10	5		CFBEMN
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	ZINC000100337902	280212968	/nfs/dbraw/zinc/21/29/68/280212968.db2.gz	ZFAHRSYYEJMLHM-ZNMIVQPWSA-N	0	1	267.284	2.928	10	5		CFBEMN
CCC[C@](C)(N)c1nc(-c2cc([N+](=O)[O-])ccc2C)no1	ZINC000050441205	521277516	/nfs/dbraw/zinc/27/75/16/521277516.db2.gz	KKRYOAPEAIPJAK-AWEZNQCLSA-N	0	1	290.323	2.927	10	5		CFBEMN
Cc1nc(CNCCc2ccccc2[N+](=O)[O-])cs1	ZINC000062726379	526887335	/nfs/dbraw/zinc/88/73/35/526887335.db2.gz	GEYZLKVRBLMCCY-UHFFFAOYSA-N	0	1	277.349	2.692	10	5		CFBEMN
O=[N+]([O-])c1cc(O)cc2sc(Br)nc21	ZINC000044712836	346398120	/nfs/dbraw/zinc/39/81/20/346398120.db2.gz	KPJIHDNOGXNDHA-UHFFFAOYSA-N	0	1	275.083	2.673	10	5		CFBEMN
CC[C@@H](C(=O)[O-])[N@@H+](C)[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000086802831	179337316	/nfs/dbraw/zinc/33/73/16/179337316.db2.gz	XMGHQIQBVJLNON-JQWIXIFHSA-N	0	1	280.324	2.759	10	5		CFBEMN
CCC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1	ZINC000086781644	179330918	/nfs/dbraw/zinc/33/09/18/179330918.db2.gz	BFNHMWFZLHNOFM-CYBMUJFWSA-N	0	1	298.364	2.733	10	5		CFBEMN
Cc1ccc([C@@H](C)[N@H+](C)C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000086807124	179339219	/nfs/dbraw/zinc/33/92/19/179339219.db2.gz	CQTGOZGQNHQGGB-GHMZBOCLSA-N	0	1	280.324	2.617	10	5		CFBEMN
C[C@H]1OCC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000149608738	378265789	/nfs/dbraw/zinc/26/57/89/378265789.db2.gz	BPSXLPXECLQHBL-LDYMZIIASA-N	0	1	270.716	2.515	10	5		CFBEMN
O=[N+]([O-])c1cccc(CN2CC[C@@H](Oc3cccnc3)C2)c1	ZINC000152507506	378422418	/nfs/dbraw/zinc/42/24/18/378422418.db2.gz	NSLDZJZLIJBGII-MRXNPFEDSA-N	0	1	299.330	2.643	10	5		CFBEMN
Cc1c(CN2CCS[C@@H](C)C2)cccc1[N+](=O)[O-]	ZINC000171690663	379373053	/nfs/dbraw/zinc/37/30/53/379373053.db2.gz	NMUGLZIOIWFILD-JTQLQIEISA-N	0	1	266.366	2.841	10	5		CFBEMN
O=[N+]([O-])c1ccccc1N1CCC(c2ccn[nH]2)CC1	ZINC000195498666	382768231	/nfs/dbraw/zinc/76/82/31/382768231.db2.gz	IWMOOENFJNBNEH-UHFFFAOYSA-N	0	1	272.308	2.702	10	5		CFBEMN
O=[N+]([O-])c1cc(OC(F)(F)F)cc(OC(F)F)c1O	ZINC000575667329	382782875	/nfs/dbraw/zinc/78/28/75/382782875.db2.gz	MJGOTZVYNVORIL-UHFFFAOYSA-N	0	1	289.112	2.800	10	5		CFBEMN
O=[N+]([O-])c1ccc(-c2nnc(Cc3ccccc3)[nH]2)cc1	ZINC000005999317	170166686	/nfs/dbraw/zinc/16/66/86/170166686.db2.gz	MNNZWSMKMZTYIK-UHFFFAOYSA-N	0	1	280.287	2.971	10	5		CFBEMN
C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccncc1	ZINC000020121662	171001074	/nfs/dbraw/zinc/00/10/74/171001074.db2.gz	XTELGUKQBDRSOU-LLVKDONJSA-N	0	1	257.293	2.841	10	5		CFBEMN
CCNc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-]	ZINC000040596297	174349006	/nfs/dbraw/zinc/34/90/06/174349006.db2.gz	NGYUMZMFOYNCLK-UHFFFAOYSA-N	0	1	294.702	2.609	10	5		CFBEMN
CCC(N)(CC)c1noc(-c2ccccc2[N+](=O)[O-])n1	ZINC000041151530	174499105	/nfs/dbraw/zinc/49/91/05/174499105.db2.gz	SKSGRTPGYXPCHT-UHFFFAOYSA-N	0	1	276.296	2.619	10	5		CFBEMN
CC1(C)C[C@@H]1NCc1cc([N+](=O)[O-])c(F)cc1F	ZINC000045117793	175311464	/nfs/dbraw/zinc/31/14/64/175311464.db2.gz	QXXWJIVJAYIXHE-NSHDSACASA-N	0	1	256.252	2.761	10	5		CFBEMN