smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H]1C[C@@H]1NCc1csc([N+](=O)[O-])c1	ZINC000165029784	384368210	/nfs/dbraw/zinc/36/82/10/384368210.db2.gz	VFIUDSQOKQEZSI-UWVGGRQHSA-N	0	3	240.328	2.935	10	5		BFBEHN
C[C@H](N[C@@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000052272152	385715383	/nfs/dbraw/zinc/71/53/83/385715383.db2.gz	KTIXHYXSDLEZFM-VDDIYKPWSA-N	0	3	220.272	2.654	10	5		BFBEHN
CCc1cc(CN)c([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000575725836	398069613	/nfs/dbraw/zinc/06/96/13/398069613.db2.gz	HKYPPMMOVXNWPR-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
C[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])o1	ZINC000037211399	176088569	/nfs/dbraw/zinc/08/85/69/176088569.db2.gz	WWRSRXMBXIEYKH-MWLCHTKSSA-N	0	3	238.287	2.856	10	5		BFBEHN
C[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])o1	ZINC000037211398	177083606	/nfs/dbraw/zinc/08/36/06/177083606.db2.gz	WWRSRXMBXIEYKH-ONGXEEELSA-N	0	3	238.287	2.856	10	5		BFBEHN
C[C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])o2)C1	ZINC000037254509	177137277	/nfs/dbraw/zinc/13/72/77/177137277.db2.gz	KTZAISYKFAUENW-UWVGGRQHSA-N	0	3	238.287	2.856	10	5		BFBEHN
C[C@H]1C[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000082829137	177385409	/nfs/dbraw/zinc/38/54/09/177385409.db2.gz	RLQNQLXJYYDSFL-OIBJUYFYSA-N	0	3	240.690	2.746	10	5		BFBEHN
C[C@H]1C[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000052277722	177385688	/nfs/dbraw/zinc/38/56/88/177385688.db2.gz	KACQFYGSJVJCSS-OIBJUYFYSA-N	0	3	240.690	2.746	10	5		BFBEHN
Cc1c([C@H](C)N[C@H]2C[C@H]2C)cccc1[N+](=O)[O-]	ZINC000247181494	491101655	/nfs/dbraw/zinc/10/16/55/491101655.db2.gz	ZCOUNJGPKRPALN-QRTLGDNMSA-N	0	3	234.299	2.962	10	5		BFBEHN
Nc1c2cc([N+](=O)[O-])ccc2nc2c1CCCC2	ZINC000013808483	343672629	/nfs/dbraw/zinc/67/26/29/343672629.db2.gz	AJQFTXAZPPOZGU-UHFFFAOYSA-N	0	3	243.266	2.604	10	5		BFBEHN
O=[N+]([O-])c1ccc(F)c([C@H]2CCCCN2)c1	ZINC000309571317	343932474	/nfs/dbraw/zinc/93/24/74/343932474.db2.gz	WNRGIGIYNSKTMU-LLVKDONJSA-N	0	3	224.235	2.549	10	5		BFBEHN
CCc1c(CN)cc([N+](=O)[O-])cc1C(F)(F)F	ZINC000575725312	384912034	/nfs/dbraw/zinc/91/20/34/384912034.db2.gz	CDDTWKFLUHVITA-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CCC[C@@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1	ZINC000231673260	385777290	/nfs/dbraw/zinc/77/72/90/385777290.db2.gz	WXOMVVDJSBDMGR-DGCLKSJQSA-N	0	3	234.299	2.873	10	5		BFBEHN
CCc1cc(CN)c(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000575725371	387462228	/nfs/dbraw/zinc/46/22/28/387462228.db2.gz	CZXKGYZDYQPQST-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CCc1cc(C(F)(F)F)c([N+](=O)[O-])cc1CN	ZINC000575726153	387463126	/nfs/dbraw/zinc/46/31/26/387463126.db2.gz	NAEDRXKGURDVAN-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
Cc1ccc([C@H](C)N[C@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000249859545	388151865	/nfs/dbraw/zinc/15/18/65/388151865.db2.gz	FIIHLIPHTWLOMI-SCVCMEIPSA-N	0	3	234.299	2.962	10	5		BFBEHN
CCC(C)(C)NCc1ccccc1[N+](=O)[O-]	ZINC000020035980	168298769	/nfs/dbraw/zinc/29/87/69/168298769.db2.gz	FARGSILPKDFNIU-UHFFFAOYSA-N	0	3	222.288	2.873	10	5		BFBEHN
C[C@H]1C[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000052277716	177350397	/nfs/dbraw/zinc/35/03/97/177350397.db2.gz	KACQFYGSJVJCSS-XVKPBYJWSA-N	0	3	240.690	2.746	10	5		BFBEHN
C[C@H](N[C@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000052272148	385715504	/nfs/dbraw/zinc/71/55/04/385715504.db2.gz	KTIXHYXSDLEZFM-PTRXPTGYSA-N	0	3	220.272	2.654	10	5		BFBEHN
N[C@H](CCF)c1cc([N+](=O)[O-])ccc1Cl	ZINC000575439095	387121843	/nfs/dbraw/zinc/12/18/43/387121843.db2.gz	PQYJQZASAIZDDC-SECBINFHSA-N	0	3	232.642	2.608	10	5		BFBEHN
C[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])o1	ZINC000037211397	176080702	/nfs/dbraw/zinc/08/07/02/176080702.db2.gz	WWRSRXMBXIEYKH-KOLCDFICSA-N	0	3	238.287	2.856	10	5		BFBEHN
C[C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])o2)C1	ZINC000037254512	176123690	/nfs/dbraw/zinc/12/36/90/176123690.db2.gz	KTZAISYKFAUENW-NXEZZACHSA-N	0	3	238.287	2.856	10	5		BFBEHN
CCc1cc(C(F)(F)F)cc(CN)c1[N+](=O)[O-]	ZINC000575725456	387462111	/nfs/dbraw/zinc/46/21/11/387462111.db2.gz	FQQGCKJPUAISDK-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CCNc1ccc(CN2CCCC2)cc1[N+](=O)[O-]	ZINC000050792183	170173646	/nfs/dbraw/zinc/17/36/46/170173646.db2.gz	FBXXCHAVBIMHKY-UHFFFAOYSA-N	0	3	249.314	2.622	10	5		BFBEHN
C[C@H]1C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000052272998	177385946	/nfs/dbraw/zinc/38/59/46/177385946.db2.gz	CSTQIJUCAKCLAT-WRWORJQWSA-N	0	3	240.690	2.746	10	5		BFBEHN
O=[N+]([O-])c1ccc2c(c1)CCN(C1CCC1)CC2	ZINC000202484361	343429134	/nfs/dbraw/zinc/42/91/34/343429134.db2.gz	VXDYJULKHQXMAM-UHFFFAOYSA-N	0	3	246.310	2.548	10	5		BFBEHN
CCCN1CCNc2c(cccc2[N+](=O)[O-])[C@@H]1C	ZINC000038525599	347164598	/nfs/dbraw/zinc/16/45/98/347164598.db2.gz	RKUHLEFPBQUAJP-JTQLQIEISA-N	0	3	249.314	2.793	10	5		BFBEHN
CC(C)(C)[C@H](N)c1csc([N+](=O)[O-])c1	ZINC000306896226	351308737	/nfs/dbraw/zinc/30/87/37/351308737.db2.gz	PDEZEDBOBPJQRN-MRVPVSSYSA-N	0	3	214.290	2.702	10	5		BFBEHN
CCC[C@@H]1C[C@H]1NCc1csc([N+](=O)[O-])c1	ZINC000165029899	384369803	/nfs/dbraw/zinc/36/98/03/384369803.db2.gz	VFIUDSQOKQEZSI-NXEZZACHSA-N	0	3	240.328	2.935	10	5		BFBEHN
Cc1ccc([C@H](C)N[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000052272204	385714555	/nfs/dbraw/zinc/71/45/55/385714555.db2.gz	FIIHLIPHTWLOMI-JBLDHEPKSA-N	0	3	234.299	2.962	10	5		BFBEHN
C[C@@H]1C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000052272997	385714641	/nfs/dbraw/zinc/71/46/41/385714641.db2.gz	CSTQIJUCAKCLAT-RDDDGLTNSA-N	0	3	240.690	2.746	10	5		BFBEHN
Cc1c([C@H](C)N[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000120476711	386740595	/nfs/dbraw/zinc/74/05/95/386740595.db2.gz	ZCOUNJGPKRPALN-PTOFAABTSA-N	0	3	234.299	2.962	10	5		BFBEHN
CCc1cc([N+](=O)[O-])c(CN)c(C(F)(F)F)c1	ZINC000575725475	387461592	/nfs/dbraw/zinc/46/15/92/387461592.db2.gz	GAYNDSPKEWDRAF-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CCc1cc(C(F)(F)F)cc([N+](=O)[O-])c1CN	ZINC000575726038	387462030	/nfs/dbraw/zinc/46/20/30/387462030.db2.gz	LZZCTOZUUJESTI-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CCc1cc([N+](=O)[O-])cc(CN)c1C(F)(F)F	ZINC000575725247	387462213	/nfs/dbraw/zinc/46/22/13/387462213.db2.gz	BGWXRQCLDQTNHW-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CCc1cc([N+](=O)[O-])c(CN)cc1C(F)(F)F	ZINC000575727429	387461245	/nfs/dbraw/zinc/46/12/45/387461245.db2.gz	ZNEXIZXWBUPMAU-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CCc1cc(C(F)(F)F)c(CN)cc1[N+](=O)[O-]	ZINC000575726813	387463530	/nfs/dbraw/zinc/46/35/30/387463530.db2.gz	UCTAXYCWOBHLED-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CCc1cc(CN)c([N+](=O)[O-])cc1C(F)(F)F	ZINC000575727065	387464904	/nfs/dbraw/zinc/46/49/04/387464904.db2.gz	WORSPRHSUSGQHK-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
Cc1ccc([C@H](C)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000249859543	388152212	/nfs/dbraw/zinc/15/22/12/388152212.db2.gz	FIIHLIPHTWLOMI-JFGNBEQYSA-N	0	3	234.299	2.962	10	5		BFBEHN
CC[C@H](C)CNCc1cc(F)ccc1[N+](=O)[O-]	ZINC000054471318	171286096	/nfs/dbraw/zinc/28/60/96/171286096.db2.gz	ZDXVAYZRNMCHDU-VIFPVBQESA-N	0	3	240.278	2.870	10	5		BFBEHN
Cc1ccc([C@@H]2CCCCN2)cc1[N+](=O)[O-]	ZINC000309145969	342895679	/nfs/dbraw/zinc/89/56/79/342895679.db2.gz	DUTDAJGZBAKWGH-NSHDSACASA-N	0	3	220.272	2.718	10	5		BFBEHN
CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000142056911	343103542	/nfs/dbraw/zinc/10/35/42/343103542.db2.gz	HSVUMHRNRQORFJ-UHFFFAOYSA-N	0	3	246.266	2.916	10	5		BFBEHN
CCC[C@@H]1C[C@H]1NCc1ccccc1[N+](=O)[O-]	ZINC000231675511	351062185	/nfs/dbraw/zinc/06/21/85/351062185.db2.gz	WLUAGRKDPFHSGM-ZYHUDNBSSA-N	0	3	234.299	2.873	10	5		BFBEHN
Cc1ccc([C@H](C)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000052272208	385714126	/nfs/dbraw/zinc/71/41/26/385714126.db2.gz	FIIHLIPHTWLOMI-NHCYSSNCSA-N	0	3	234.299	2.962	10	5		BFBEHN
N[C@@H](CCF)c1cc([N+](=O)[O-])ccc1Cl	ZINC000575439090	387122231	/nfs/dbraw/zinc/12/22/31/387122231.db2.gz	PQYJQZASAIZDDC-VIFPVBQESA-N	0	3	232.642	2.608	10	5		BFBEHN
C[C@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl	ZINC000052277073	177349768	/nfs/dbraw/zinc/34/97/68/177349768.db2.gz	UTWNTCVRMUEICR-CPCISQLKSA-N	0	3	240.690	2.746	10	5		BFBEHN
CCC(CC)NCc1ccccc1[N+](=O)[O-]	ZINC000020037236	168389732	/nfs/dbraw/zinc/38/97/32/168389732.db2.gz	QVXRPRAJUABJNI-UHFFFAOYSA-N	0	3	222.288	2.873	10	5		BFBEHN
O=[N+]([O-])c1cc(F)ccc1[C@H]1CCCCN1	ZINC000309264630	342927316	/nfs/dbraw/zinc/92/73/16/342927316.db2.gz	XATRSYKBWDJKGD-SNVBAGLBSA-N	0	3	224.235	2.549	10	5		BFBEHN
O=[N+]([O-])c1ccc(F)cc1[C@@H]1CCCCN1	ZINC000309550735	343723933	/nfs/dbraw/zinc/72/39/33/343723933.db2.gz	LFQKACQSZJVNHR-JTQLQIEISA-N	0	3	224.235	2.549	10	5		BFBEHN
CN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000196677449	347981091	/nfs/dbraw/zinc/98/10/91/347981091.db2.gz	LFBMNRCLKGRCPM-UHFFFAOYSA-N	0	3	246.266	2.916	10	5		BFBEHN
O=[N+]([O-])c1ccccc1CCN1CCCCC1	ZINC000001666810	357075912	/nfs/dbraw/zinc/07/59/12/357075912.db2.gz	MKHHHLKXRBAODK-UHFFFAOYSA-N	0	3	234.299	2.623	10	5		BFBEHN
C[C@@H]1C[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000082829136	384577022	/nfs/dbraw/zinc/57/70/22/384577022.db2.gz	RLQNQLXJYYDSFL-GMSGAONNSA-N	0	3	240.690	2.746	10	5		BFBEHN
Cc1c([C@H](C)N[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000120477037	386739783	/nfs/dbraw/zinc/73/97/83/386739783.db2.gz	ZCOUNJGPKRPALN-PEXQALLHSA-N	0	3	234.299	2.962	10	5		BFBEHN
C[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])o2)CC1	ZINC000106220845	177193638	/nfs/dbraw/zinc/19/36/38/177193638.db2.gz	MJZBYWFMSCGJLW-MGCOHNPYSA-N	0	3	238.287	2.856	10	5		BFBEHN
C[C@H]1C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000052272995	177350335	/nfs/dbraw/zinc/35/03/35/177350335.db2.gz	CSTQIJUCAKCLAT-CPCISQLKSA-N	0	3	240.690	2.746	10	5		BFBEHN
O=[N+]([O-])c1ccc(F)c([C@@H]2CCCCN2)c1	ZINC000309571320	343932506	/nfs/dbraw/zinc/93/25/06/343932506.db2.gz	WNRGIGIYNSKTMU-NSHDSACASA-N	0	3	224.235	2.549	10	5		BFBEHN
C[C@@H]1C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000052272994	385714566	/nfs/dbraw/zinc/71/45/66/385714566.db2.gz	CSTQIJUCAKCLAT-HQJQHLMTSA-N	0	3	240.690	2.746	10	5		BFBEHN
C[C@H](N[C@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000052272150	385715227	/nfs/dbraw/zinc/71/52/27/385715227.db2.gz	KTIXHYXSDLEZFM-AUTRQRHGSA-N	0	3	220.272	2.654	10	5		BFBEHN
CCc1cc(CN)c(C(F)(F)F)c([N+](=O)[O-])c1	ZINC000575726146	387464261	/nfs/dbraw/zinc/46/42/61/387464261.db2.gz	MYGCKPVFZPGIDV-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CCc1cc([N+](=O)[O-])c(C(F)(F)F)cc1CN	ZINC000575725837	398069646	/nfs/dbraw/zinc/06/96/46/398069646.db2.gz	HLOVNRGLMIZVPF-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
C[C@@H]1C[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000052277713	635730580	/nfs/dbraw/zinc/73/05/80/635730580.db2.gz	KACQFYGSJVJCSS-XCBNKYQSSA-N	0	3	240.690	2.746	10	5		BFBEHN
CN[C@@H](C)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000306684099	350840381	/nfs/dbraw/zinc/84/03/81/350840381.db2.gz	YRMTYIJPJPBDKO-BYPYZUCNSA-N	0	3	220.681	2.590	10	5		BFBEHN
CCC[C@@H]1C[C@@H]1NCc1csc([N+](=O)[O-])c1	ZINC000165029674	384367564	/nfs/dbraw/zinc/36/75/64/384367564.db2.gz	VFIUDSQOKQEZSI-ZJUUUORDSA-N	0	3	240.328	2.935	10	5		BFBEHN
CCc1c(CN)cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000575725752	398069086	/nfs/dbraw/zinc/06/90/86/398069086.db2.gz	GUOSXMJHJGMKAJ-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CC(C)[C@@H](C)NCc1cc(F)ccc1[N+](=O)[O-]	ZINC000035308206	167381955	/nfs/dbraw/zinc/38/19/55/167381955.db2.gz	GKZFAZSVUJFITR-SECBINFHSA-N	0	3	240.278	2.868	10	5		BFBEHN
C[C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])o2)C1	ZINC000037254514	177122954	/nfs/dbraw/zinc/12/29/54/177122954.db2.gz	KTZAISYKFAUENW-VHSXEESVSA-N	0	3	238.287	2.856	10	5		BFBEHN
CCN1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])cc12	ZINC000117921586	343021031	/nfs/dbraw/zinc/02/10/31/343021031.db2.gz	VZVMHVUBVLLCFQ-ZJUUUORDSA-N	0	3	232.283	2.501	10	5		BFBEHN
CCCN1CCNc2c(cccc2[N+](=O)[O-])[C@H]1C	ZINC000038525600	347165000	/nfs/dbraw/zinc/16/50/00/347165000.db2.gz	RKUHLEFPBQUAJP-SNVBAGLBSA-N	0	3	249.314	2.793	10	5		BFBEHN
Cc1cc([N+](=O)[O-])ccc1-c1cnccc1N	ZINC000114027009	370540423	/nfs/dbraw/zinc/54/04/23/370540423.db2.gz	YUOVPAPQACRVAM-UHFFFAOYSA-N	0	3	229.239	2.547	10	5		BFBEHN
CCCNCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000061003431	169266968	/nfs/dbraw/zinc/26/69/68/169266968.db2.gz	OMRRKEZPSIDQJT-UHFFFAOYSA-N	0	3	228.679	2.748	10	5		BFBEHN
N[C@H](CCF)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000575438949	387120961	/nfs/dbraw/zinc/12/09/61/387120961.db2.gz	NMETZFZJHDJRKU-MRVPVSSYSA-N	0	3	232.642	2.608	10	5		BFBEHN
CCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1CN	ZINC000575726195	387463373	/nfs/dbraw/zinc/46/33/73/387463373.db2.gz	NOFHJSLOSBMDAP-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CC(C)NCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000061002547	167118844	/nfs/dbraw/zinc/11/88/44/167118844.db2.gz	ZGPZYUKFXHJWCK-UHFFFAOYSA-N	0	3	228.679	2.746	10	5		BFBEHN
C[C@@H]1C[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000052277719	635730566	/nfs/dbraw/zinc/73/05/66/635730566.db2.gz	KACQFYGSJVJCSS-GMSGAONNSA-N	0	3	240.690	2.746	10	5		BFBEHN
O=[N+]([O-])c1cccc2c1CC[C@@H]2N1CCCC1	ZINC000725270723	538102630	/nfs/dbraw/zinc/10/26/30/538102630.db2.gz	DBFQXKLOLMKLHG-LBPRGKRZSA-N	0	3	232.283	2.678	10	5		BFBEHN
O=[N+]([O-])c1cccc2c1CC[C@H]2N1CCCC1	ZINC000725270721	538102639	/nfs/dbraw/zinc/10/26/39/538102639.db2.gz	DBFQXKLOLMKLHG-GFCCVEGCSA-N	0	3	232.283	2.678	10	5		BFBEHN
CCCNCc1cc(Cl)cc([N+](=O)[O-])c1	ZINC000006380475	169265569	/nfs/dbraw/zinc/26/55/69/169265569.db2.gz	XGSWOUXMTOEILL-UHFFFAOYSA-N	0	3	228.679	2.748	10	5		BFBEHN
C[C@@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl	ZINC000052277075	385714505	/nfs/dbraw/zinc/71/45/05/385714505.db2.gz	UTWNTCVRMUEICR-RDDDGLTNSA-N	0	3	240.690	2.746	10	5		BFBEHN
CCc1c(CN)c([N+](=O)[O-])ccc1C(F)(F)F	ZINC000575726938	387463321	/nfs/dbraw/zinc/46/33/21/387463321.db2.gz	UVVVLHKBONBKJA-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
CC1(NCc2ccc([N+](=O)[O-])o2)CCCC1	ZINC000042176898	168064184	/nfs/dbraw/zinc/06/41/84/168064184.db2.gz	ICHVNYJXXOLZML-UHFFFAOYSA-N	0	3	224.260	2.610	10	5		BFBEHN
C[C@H](N[C@@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000052272155	176905765	/nfs/dbraw/zinc/90/57/65/176905765.db2.gz	KTIXHYXSDLEZFM-HOTUBEGUSA-N	0	3	220.272	2.654	10	5		BFBEHN
CCC[C@@H]1C[C@H]1NCc1cccc([N+](=O)[O-])c1	ZINC000231674407	351065828	/nfs/dbraw/zinc/06/58/28/351065828.db2.gz	OJYFSNAJDXFBLK-DGCLKSJQSA-N	0	3	234.299	2.873	10	5		BFBEHN
CC(C)C(CC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000095932480	188147755	/nfs/dbraw/zinc/14/77/55/188147755.db2.gz	SJEXATZAYMUFQR-NSHDSACASA-N	0	3	221.256	2.561	10	5		BFBEHN
C[C@@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl	ZINC000052277070	385714445	/nfs/dbraw/zinc/71/44/45/385714445.db2.gz	UTWNTCVRMUEICR-HQJQHLMTSA-N	0	3	240.690	2.746	10	5		BFBEHN
C[C@H](N[C@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1	ZINC000052272903	385715160	/nfs/dbraw/zinc/71/51/60/385715160.db2.gz	ZMBPPJNGSSOBHJ-PTRXPTGYSA-N	0	3	220.272	2.654	10	5		BFBEHN
CC[C@H](C)NCc1cc(F)ccc1[N+](=O)[O-]	ZINC000035307960	171343377	/nfs/dbraw/zinc/34/33/77/171343377.db2.gz	SGXTVKIVCGJRCI-QMMMGPOBSA-N	0	3	226.251	2.622	10	5		BFBEHN
C[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])o1	ZINC000037211400	177088675	/nfs/dbraw/zinc/08/86/75/177088675.db2.gz	WWRSRXMBXIEYKH-GXSJLCMTSA-N	0	3	238.287	2.856	10	5		BFBEHN
C[C@@H]1C[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000082849642	384582172	/nfs/dbraw/zinc/58/21/72/384582172.db2.gz	RLQNQLXJYYDSFL-XCBNKYQSSA-N	0	3	240.690	2.746	10	5		BFBEHN
C[C@H](N[C@@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1	ZINC000052272907	385715217	/nfs/dbraw/zinc/71/52/17/385715217.db2.gz	ZMBPPJNGSSOBHJ-VDDIYKPWSA-N	0	3	220.272	2.654	10	5		BFBEHN
C[C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])o2)C1	ZINC000037254508	176143911	/nfs/dbraw/zinc/14/39/11/176143911.db2.gz	KTZAISYKFAUENW-ZJUUUORDSA-N	0	3	238.287	2.856	10	5		BFBEHN
O=[N+]([O-])c1cc(F)ccc1[C@@H]1CCCCN1	ZINC000309264629	342927516	/nfs/dbraw/zinc/92/75/16/342927516.db2.gz	XATRSYKBWDJKGD-JTQLQIEISA-N	0	3	224.235	2.549	10	5		BFBEHN
O=[N+]([O-])c1cc([C@H]2CCCCN2)ccc1F	ZINC000309230784	342915623	/nfs/dbraw/zinc/91/56/23/342915623.db2.gz	GKUYIWMTZGKHEU-SNVBAGLBSA-N	0	3	224.235	2.549	10	5		BFBEHN
O=[N+]([O-])c1ccc(F)cc1[C@H]1CCCCN1	ZINC000309550736	343724168	/nfs/dbraw/zinc/72/41/68/343724168.db2.gz	LFQKACQSZJVNHR-SNVBAGLBSA-N	0	3	224.235	2.549	10	5		BFBEHN
CC(C)(C)[C@@H](N)c1csc([N+](=O)[O-])c1	ZINC000306896227	351308633	/nfs/dbraw/zinc/30/86/33/351308633.db2.gz	PDEZEDBOBPJQRN-QMMMGPOBSA-N	0	3	214.290	2.702	10	5		BFBEHN
CC[C@@H](C)NCc1cc(F)ccc1[N+](=O)[O-]	ZINC000035307957	188111877	/nfs/dbraw/zinc/11/18/77/188111877.db2.gz	SGXTVKIVCGJRCI-MRVPVSSYSA-N	0	3	226.251	2.622	10	5		BFBEHN
CCC[C@H]1C[C@H]1NCc1csc([N+](=O)[O-])c1	ZINC000165030016	384369165	/nfs/dbraw/zinc/36/91/65/384369165.db2.gz	VFIUDSQOKQEZSI-VHSXEESVSA-N	0	3	240.328	2.935	10	5		BFBEHN
N[C@@H](CCF)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000575438857	387118780	/nfs/dbraw/zinc/11/87/80/387118780.db2.gz	NMETZFZJHDJRKU-QMMMGPOBSA-N	0	3	232.642	2.608	10	5		BFBEHN
CCc1cc(CN)cc([N+](=O)[O-])c1C(F)(F)F	ZINC000575726261	387463050	/nfs/dbraw/zinc/46/30/50/387463050.db2.gz	OEDSQBXEFLQWOO-UHFFFAOYSA-N	0	3	248.204	2.635	10	5		BFBEHN
C[C@H]1C[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000082849643	177349652	/nfs/dbraw/zinc/34/96/52/177349652.db2.gz	RLQNQLXJYYDSFL-XVKPBYJWSA-N	0	3	240.690	2.746	10	5		BFBEHN
CN[C@H](C)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000306684100	350840489	/nfs/dbraw/zinc/84/04/89/350840489.db2.gz	YRMTYIJPJPBDKO-SCSAIBSYSA-N	0	3	220.681	2.590	10	5		BFBEHN
CC(C)[C@H](C)NCc1cc(F)ccc1[N+](=O)[O-]	ZINC000035308208	188111801	/nfs/dbraw/zinc/11/18/01/188111801.db2.gz	GKZFAZSVUJFITR-VIFPVBQESA-N	0	3	240.278	2.868	10	5		BFBEHN
C[C@H](N[C@H]1C[C@@H]1C)c1ccc([N+](=O)[O-])cc1	ZINC000052272905	385714520	/nfs/dbraw/zinc/71/45/20/385714520.db2.gz	ZMBPPJNGSSOBHJ-AUTRQRHGSA-N	0	3	220.272	2.654	10	5		BFBEHN
C[C@H](N[C@@H]1C[C@@H]1C)c1ccc([N+](=O)[O-])cc1	ZINC000052272909	385715678	/nfs/dbraw/zinc/71/56/78/385715678.db2.gz	ZMBPPJNGSSOBHJ-HOTUBEGUSA-N	0	3	220.272	2.654	10	5		BFBEHN
CC(C)CCNCc1cc(F)ccc1[N+](=O)[O-]	ZINC000035308047	166861613	/nfs/dbraw/zinc/86/16/13/166861613.db2.gz	YYJFRWFQLAGZSC-UHFFFAOYSA-N	0	3	240.278	2.870	10	5		BFBEHN
CC(C)C(CC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000095932479	167390091	/nfs/dbraw/zinc/39/00/91/167390091.db2.gz	SJEXATZAYMUFQR-LLVKDONJSA-N	0	3	221.256	2.561	10	5		BFBEHN
C[C@H]1C[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000105437869	177349688	/nfs/dbraw/zinc/34/96/88/177349688.db2.gz	DTSOPWJHHIOWHM-XVKPBYJWSA-N	0	3	240.690	2.746	10	5		BFBEHN
Cc1c([C@H](C)N[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-]	ZINC000247181506	491101651	/nfs/dbraw/zinc/10/16/51/491101651.db2.gz	ZCOUNJGPKRPALN-UBHAPETDSA-N	0	3	234.299	2.962	10	5		BFBEHN
Cc1ccc([C@H]2CCCCN2)cc1[N+](=O)[O-]	ZINC000309145968	342895771	/nfs/dbraw/zinc/89/57/71/342895771.db2.gz	DUTDAJGZBAKWGH-LLVKDONJSA-N	0	3	220.272	2.718	10	5		BFBEHN
O=[N+]([O-])c1cc([C@@H]2CCCCN2)ccc1F	ZINC000309230776	342915658	/nfs/dbraw/zinc/91/56/58/342915658.db2.gz	GKUYIWMTZGKHEU-JTQLQIEISA-N	0	3	224.235	2.549	10	5		BFBEHN
O=[N+]([O-])c1ccc2oc(CN3CCCC3)cc2c1	ZINC000136292367	346186719	/nfs/dbraw/zinc/18/67/19/346186719.db2.gz	OLPGSCGBZNSRLT-UHFFFAOYSA-N	0	3	246.266	2.937	10	5		BFBEHN
CCCN(Cc1cc([N+](=O)[O-])ccc1N)C1CC1	ZINC000050812712	169175867	/nfs/dbraw/zinc/17/58/67/169175867.db2.gz	QCYGAUXEZQECPG-UHFFFAOYSA-N	0	3	249.314	2.551	10	5		BFBEHN
C[C@H]1C[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000105437874	177385403	/nfs/dbraw/zinc/38/54/03/177385403.db2.gz	DTSOPWJHHIOWHM-OIBJUYFYSA-N	0	3	240.690	2.746	10	5		BFBEHN
C[C@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl	ZINC000052277078	177385572	/nfs/dbraw/zinc/38/55/72/177385572.db2.gz	UTWNTCVRMUEICR-WRWORJQWSA-N	0	3	240.690	2.746	10	5		BFBEHN