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-])c1cn(-c2cccc(C(F)(F)F)c2)cn1	ZINC000095578847	185010875	/nfs/dbraw/zinc/01/08/75/185010875.db2.gz	NCOZVNZEDJPLBI-UHFFFAOYSA-N	0	0	257.171	2.799	1	5		CFBFRN
COc1c2cc([N+](=O)[O-])ccc2nn1-c1ccccc1	ZINC000095576026	185011125	/nfs/dbraw/zinc/01/11/25/185011125.db2.gz	ZLMKUIXZUGMCKY-UHFFFAOYSA-N	0	0	269.260	2.942	1	5		CFBFRN
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1ccco1	ZINC000095601096	185015728	/nfs/dbraw/zinc/01/57/28/185015728.db2.gz	VZCIFBDWNONTAH-YRNVUSSQSA-N	0	0	256.217	2.681	1	5		CFBFRN
O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc2ccccc2o1	ZINC000095595898	185015763	/nfs/dbraw/zinc/01/57/63/185015763.db2.gz	SFSFRGRKWJOPGE-UHFFFAOYSA-N	0	0	283.243	2.988	1	5		CFBFRN
COc1c(C)c2nc3ccccc3nc2c2c(=O)cc[nH]c12	ZINC000005552264	170112432	/nfs/dbraw/zinc/11/24/32/170112432.db2.gz	JKEYFNUYRDPVHP-UHFFFAOYSA-N	0	0	291.310	2.942	1	5		CFBFRN
COc1ccc2[nH]c3ccccc3c(=O)c2c1OC	ZINC000005889666	170150940	/nfs/dbraw/zinc/15/09/40/170150940.db2.gz	FGFOUKQQELACDI-UHFFFAOYSA-N	0	0	255.273	2.699	1	5		CFBFRN
O[C@H]1[C@@H]2O[C@@H]2c2c3ccc4ccccc4c3ccc2[C@@H]1O	ZINC000005935228	170157743	/nfs/dbraw/zinc/15/77/43/170157743.db2.gz	KPTYXJLOWLVCMU-MLHJIOFPSA-N	0	0	278.307	2.841	1	5		CFBFRN
NC(=O)c1cccc2nc3cc(Cl)ccc3nc21	ZINC000027981652	171541502	/nfs/dbraw/zinc/54/15/02/171541502.db2.gz	VGHRHIHXTONTPK-UHFFFAOYSA-N	0	0	257.680	2.535	1	5		CFBFRN
COC(=O)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc21	ZINC000029413133	171597823	/nfs/dbraw/zinc/59/78/23/171597823.db2.gz	GYVJOGVOINMSIW-UHFFFAOYSA-N	0	0	271.247	2.607	1	5		CFBFRN
CCCNC(=O)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21	ZINC000040466024	174274822	/nfs/dbraw/zinc/27/48/22/174274822.db2.gz	BUFGZIKWOWQNOS-UHFFFAOYSA-N	0	0	290.319	2.675	1	5		CFBFRN
O=C(Nc1ncc([N+](=O)[O-])s1)Nc1ccc(F)cc1	ZINC000069058515	527520028	/nfs/dbraw/zinc/52/00/28/527520028.db2.gz	VHWLIENBFXTZEV-UHFFFAOYSA-N	0	0	282.256	2.834	1	5		CFBFRN
COc1cc(C)c2c(c1)oc1cc(O)cc(O)c1c2=O	ZINC000003978530	560192635	/nfs/dbraw/zinc/19/26/35/560192635.db2.gz	RFENQGQGMLPVJM-UHFFFAOYSA-N	0	0	272.256	2.674	1	5	in-vitro	CFBFRN
C[P@](=O)(OCCF)Oc1ccc([N+](=O)[O-])cc1	ZINC000095602538	185015650	/nfs/dbraw/zinc/01/56/50/185015650.db2.gz	BBDQLOUKNUVPFF-KRWDZBQOSA-N	0	0	263.161	2.783	1	5		CFBFRN
Cc1ccc2[nH]c3c4cccn4c4c(c3c2c1)C(=O)NC4=O	ZINC000084712333	178919374	/nfs/dbraw/zinc/91/93/74/178919374.db2.gz	CGCQYSKWKUAJTP-UHFFFAOYSA-N	0	0	289.294	2.766	1	5		CFBFRN
O=[N+]([O-])c1cnc(/C=C/c2ccc(Cl)cc2)n1CCO	ZINC000103255957	185822071	/nfs/dbraw/zinc/82/20/71/185822071.db2.gz	KLMKAXYJBXRXLZ-ZZXKWVIFSA-N	0	0	293.710	2.607	1	5		CFBFRN
CC1(C)C=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc21	ZINC000000010426	169506286	/nfs/dbraw/zinc/50/62/86/169506286.db2.gz	FVRHDSLMEQJKGK-UHFFFAOYSA-N	0	0	282.299	2.937	1	5		CFBFRN
C[C@H](CCn1ccnc1)Oc1ccc([N+](=O)[O-])cc1	ZINC000045392919	175375698	/nfs/dbraw/zinc/37/56/98/175375698.db2.gz	QKRGYNNCLHGLKK-LLVKDONJSA-N	0	0	261.281	2.649	1	5		CFBFRN
CCOC(=O)c1c(=O)nc2c3cccc4cccc(c1-2)c34	ZINC000071295101	176112179	/nfs/dbraw/zinc/11/21/79/176112179.db2.gz	CEEHIKQKZBQZLL-UHFFFAOYSA-N	0	0	277.279	2.905	1	5		CFBFRN
C[C@H]1C[C@H]2CC(=O)[C@H]3CCC[N+]4([O-])CCC[C@]23[C@@H]4C1	ZINC000238761937	717162760	/nfs/dbraw/zinc/16/27/60/717162760.db2.gz	SMBINNSANVPAPK-BNMBJDTCSA-N	0	0	263.381	2.879	1	5		CFBFRN
[O-][N+]12CCc3cc(O)cc(c31)-c1cc3c(cc1C2)OCO3	ZINC000238788804	717163467	/nfs/dbraw/zinc/16/34/67/717163467.db2.gz	LACHKAOUAHZCDU-UHFFFAOYSA-N	0	0	283.283	2.663	1	5		CFBFRN
COc1cccc(-c2nnc(-c3cc([N+](=O)[O-])c[nH]3)o2)c1	ZINC000103281399	185825070	/nfs/dbraw/zinc/82/50/70/185825070.db2.gz	XJSIHPKNMYFTCX-UHFFFAOYSA-N	0	0	286.247	2.649	1	5		CFBFRN
COc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)c([N+](=O)[O-])c1	ZINC000105194923	186046003	/nfs/dbraw/zinc/04/60/03/186046003.db2.gz	KIGXNPLYRNBWGT-HOSYDEDBSA-N	0	0	288.303	2.754	1	5		CFBFRN
O=[N+]([O-])c1cnc(/C=C/c2cccc(Cl)c2)n1CCO	ZINC000103255962	185821612	/nfs/dbraw/zinc/82/16/12/185821612.db2.gz	LZACRXOODMAUQG-SNAWJCMRSA-N	0	0	293.710	2.607	1	5		CFBFRN
Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C(N)=O)cc1	ZINC000036387451	372576745	/nfs/dbraw/zinc/57/67/45/372576745.db2.gz	GFVCQLTYDBVEQP-UHFFFAOYSA-N	0	0	285.303	2.614	3	5		CFBFRN
CC(C)N1CCCO[C@@H](c2ccc([N+](=O)[O-])cc2)O1	ZINC000005542349	170111335	/nfs/dbraw/zinc/11/13/35/170111335.db2.gz	MNOPFWCRPXXANI-CYBMUJFWSA-N	0	0	266.297	2.656	1	5		CFBFRN
O=[N+]([O-])c1ccc(N2N=NC[C@@H]2c2ccccn2)cc1	ZINC000026164476	171474314	/nfs/dbraw/zinc/47/43/14/171474314.db2.gz	PONJBSPBVCRGDO-CYBMUJFWSA-N	0	0	269.264	2.918	1	5		CFBFRN
CCc1cc(C(N)=O)c(NCc2ccc([N+](=O)[O-])o2)s1	ZINC000095594398	185014143	/nfs/dbraw/zinc/01/41/43/185014143.db2.gz	FWZWEFNVSNSBJK-UHFFFAOYSA-N	0	0	295.320	2.523	1	5		CFBFRN
O=[N+]([O-])c1nc2c(ncn2[C@@H]2C[C@H]3CC[C@@H]2C3)c(Cl)n1	ZINC000072107365	176317029	/nfs/dbraw/zinc/31/70/29/176317029.db2.gz	JIRYOXVXWXPDMJ-XLPZGREQSA-N	0	0	293.714	2.749	1	5		CFBFRN
COc1c(O)cc2c3c(cc4ccccc4c13)NC(=O)C2=O	ZINC000013385025	560216115	/nfs/dbraw/zinc/21/61/15/560216115.db2.gz	FPIKZASYTJSPJN-UHFFFAOYSA-N	0	0	293.278	2.842	1	5	biogenic,in-vitro	CFBFRN
C[C@@H]1CN2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1	ZINC000102429628	185778197	/nfs/dbraw/zinc/77/81/97/185778197.db2.gz	GCJBHGVUPLVLQE-MRVPVSSYSA-N	0	0	261.306	2.700	3	5		CFBFRN
Cn1c2ccc([N+](=O)[O-])cc2c2c(c1=O)CCC(C)(C)O2	ZINC000028250313	171554214	/nfs/dbraw/zinc/55/42/14/171554214.db2.gz	VVVXFFQYFOXXOR-UHFFFAOYSA-N	0	0	288.303	2.550	1	5		CFBFRN
CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H]2CC[N+]3([O-])CCCC[C@H]1[C@H]23	ZINC000238785888	717163499	/nfs/dbraw/zinc/16/34/99/717163499.db2.gz	KXONLUMHFVTQBI-PCHBDTIXSA-N	0	0	293.407	2.707	1	5		CFBFRN
CC(=O)n1ccc2cc(Br)cc([N+](=O)[O-])c21	ZINC000021982332	393488673	/nfs/dbraw/zinc/48/86/73/393488673.db2.gz	IRQVGQWHKJJYLP-UHFFFAOYSA-N	0	0	283.081	2.972	2	5		CFBFRN
O=C([O-])C[NH2+]Cc1c2ccccc2nc2ccccc21	ZINC000005594116	170117814	/nfs/dbraw/zinc/11/78/14/170117814.db2.gz	JLWPUIDGVMRIRM-UHFFFAOYSA-N	0	0	266.300	2.562	1	5		CFBFRN
CC(C)NC(=O)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21	ZINC000040465093	174274390	/nfs/dbraw/zinc/27/43/90/174274390.db2.gz	AIJJBZSKSDTAHH-UHFFFAOYSA-N	0	0	290.319	2.674	1	5		CFBFRN
C[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1	ZINC000045356661	175361927	/nfs/dbraw/zinc/36/19/27/175361927.db2.gz	LTLFRBMKBHQUTH-NSHDSACASA-N	0	0	262.309	2.652	1	5	in-vivo	CFBFRN
O=C(Cc1cccnc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000066075434	527297281	/nfs/dbraw/zinc/29/72/81/527297281.db2.gz	RZMBCNITURVWPJ-UHFFFAOYSA-N	0	0	281.271	2.897	1	5		CFBFRN
O=c1c2cc([N+](=O)[O-])ccc2sn1-c1ccccc1	ZINC000061956257	527461660	/nfs/dbraw/zinc/46/16/60/527461660.db2.gz	MKTFTTAOICEELK-UHFFFAOYSA-N	0	0	272.285	2.960	3	5		CFBFRN
O=c1[nH]c2cc(CN3CCOCC3)ccc2c2ccccc12	ZINC000028526124	581101210	/nfs/dbraw/zinc/10/12/10/581101210.db2.gz	YRZWAGRTCFCAAG-UHFFFAOYSA-N	0	0	294.354	2.514	1	5	in-vivo	CFBFRN
COc1ccc2oc3cccc(OC)c3c(=O)c2c1	ZINC000015119032	290857332	/nfs/dbraw/zinc/85/73/32/290857332.db2.gz	BFDXHXPAVMQXHZ-UHFFFAOYSA-N	0	0	256.257	2.963	1	5	biogenic,in-vitro	CFBFRN
NC(=O)c1ccc(Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1	ZINC000007238935	170273473	/nfs/dbraw/zinc/27/34/73/170273473.db2.gz	CBAZHUGRAADVRF-UHFFFAOYSA-N	0	0	297.314	2.926	3	5		CFBFRN
CCOC(=O)c1cn2c3ccc([N+](=O)[O-])cc3sc2n1	ZINC000013219426	170540602	/nfs/dbraw/zinc/54/06/02/170540602.db2.gz	PTIUYQPSCURKID-UHFFFAOYSA-N	0	0	291.288	2.634	1	5		CFBFRN
CCCCOc1ccc2oc(=O)c([N+](=O)[O-])cc2c1	ZINC000013737798	170584823	/nfs/dbraw/zinc/58/48/23/170584823.db2.gz	CUVGREOPCOHKRY-UHFFFAOYSA-N	0	0	263.249	2.880	1	5		CFBFRN
CCOC(=O)c1cc(/C=C/c2cccc([N+](=O)[O-])c2)on1	ZINC000045315412	175357918	/nfs/dbraw/zinc/35/79/18/175357918.db2.gz	NCSNWLZRWBBERZ-VOTSOKGWSA-N	0	0	288.259	2.930	1	5		CFBFRN
Cc1cc2nc3c([nH]c(=O)c4ccccc34)n2c(C)c1	ZINC000045348649	175361713	/nfs/dbraw/zinc/36/17/13/175361713.db2.gz	ZDABXFUNGSDQRN-UHFFFAOYSA-N	0	0	263.300	2.946	1	5		CFBFRN
Cc1nc([N+](=O)[O-])nn1C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2	ZINC000017836096	282003931	/nfs/dbraw/zinc/00/39/31/282003931.db2.gz	QBHAJUNYMWMAEH-ASZHBFLOSA-N	0	0	296.758	2.781	2	5		CFBFRN
Cc1c(O)ccc2c3ccc(O)c(C)c3c(=O)oc12	ZINC000028571097	581092257	/nfs/dbraw/zinc/09/22/57/581092257.db2.gz	JLALBSSBYZKONR-UHFFFAOYSA-N	0	0	256.257	2.974	1	5		CFBFRN
Cc1nc([N+](=O)[O-])cn1-c1ccc(F)c(Cl)c1	ZINC000095579951	185011221	/nfs/dbraw/zinc/01/12/21/185011221.db2.gz	KNEWLMOTICIORX-UHFFFAOYSA-N	0	0	255.636	2.881	1	5		CFBFRN
O=[N+]([O-])c1cn(-c2cccc(OC(F)(F)F)c2)cn1	ZINC000095578282	185011302	/nfs/dbraw/zinc/01/13/02/185011302.db2.gz	VXDYCFCVRCYHBF-UHFFFAOYSA-N	0	0	273.170	2.679	1	5		CFBFRN
NC(=O)c1cc(Cl)cc2nc3ccccc3nc21	ZINC000027985045	171541960	/nfs/dbraw/zinc/54/19/60/171541960.db2.gz	QERPXTFYBOVNIT-UHFFFAOYSA-N	0	0	257.680	2.535	1	5		CFBFRN
CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000066111955	519638252	/nfs/dbraw/zinc/63/82/52/519638252.db2.gz	YBUOYIDNSJTKFE-AWEZNQCLSA-N	0	0	299.286	2.885	1	5		CFBFRN
Cc1ncc([N+](=O)[O-])n1Cc1nnc(-c2ccccc2C)o1	ZINC000084759381	178924690	/nfs/dbraw/zinc/92/46/90/178924690.db2.gz	SRWKGWWLSRAZMA-UHFFFAOYSA-N	0	0	299.290	2.506	1	5		CFBFRN
O=C(/C=C/c1ccccc1)OCc1ccc([N+](=O)[O-])o1	ZINC000103238833	185819552	/nfs/dbraw/zinc/81/95/52/185819552.db2.gz	AVTLERVPYQTGGQ-RMKNXTFCSA-N	0	0	273.244	2.944	1	5		CFBFRN
CCN1c2c(cccc2[N+](=O)[O-])Oc2ncccc2C1=O	ZINC000006385155	170196906	/nfs/dbraw/zinc/19/69/06/170196906.db2.gz	RUHFIKAUEKLXEQ-UHFFFAOYSA-N	0	0	285.259	2.762	1	5		CFBFRN
CC[C@@H](CO)Nc1cc(=O)c2ccc3ccccc3c2o1	ZINC000013676971	170576843	/nfs/dbraw/zinc/57/68/43/170576843.db2.gz	UIZBJKHDCKRVDS-FRTIYWTKSA-N	0	0	283.327	2.963	1	5		CFBFRN
C[C@@H](CCn1ccnc1)Oc1ccc([N+](=O)[O-])cc1F	ZINC000045386258	175372145	/nfs/dbraw/zinc/37/21/45/175372145.db2.gz	UQRJWGWYNGKHSY-JTQLQIEISA-N	0	0	279.271	2.788	1	5		CFBFRN
COc1ccc(C(N)=O)cc1/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000073280708	176465307	/nfs/dbraw/zinc/46/53/07/176465307.db2.gz	MXKXBRWUQUOJQB-GORDUTHDSA-N	0	0	298.298	2.873	1	5		CFBFRN
COc1cc2c(cc1OC)C(=O)[N+]1([O-])CCc3cccc-2c31	ZINC000013373878	717107764	/nfs/dbraw/zinc/10/77/64/717107764.db2.gz	NDQXBZSUUGAKED-UHFFFAOYSA-N	0	0	297.310	2.886	1	5		CFBFRN
O=[N+]([O-])c1ccc(Sc2ccccn2)c2nonc21	ZINC000096931852	185132300	/nfs/dbraw/zinc/13/23/00/185132300.db2.gz	SMYMEULFDMZQLS-UHFFFAOYSA-N	0	0	274.261	2.677	1	5		CFBFRN
COc1cccc(Oc2ccc([N+](=O)[O-])c3nonc32)c1	ZINC000096933444	185133177	/nfs/dbraw/zinc/13/31/77/185133177.db2.gz	BASAPASNCVEBSM-UHFFFAOYSA-N	0	0	287.231	2.932	1	5		CFBFRN
COc1cc(OC)c2nc(N)c3ccccc3c2c1	ZINC000169350059	188660551	/nfs/dbraw/zinc/66/05/51/188660551.db2.gz	PXVHCABTCHZABI-UHFFFAOYSA-N	0	0	254.289	2.987	1	5		CFBFRN
Nc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12	ZINC000095587074	185012238	/nfs/dbraw/zinc/01/22/38/185012238.db2.gz	MACHXOVCFVAJRE-UHFFFAOYSA-N	0	0	291.310	2.773	1	5		CFBFRN
CN(C)C(=O)Oc1ccc2ccccc2c1[N+](=O)[O-]	ZINC000084904189	178931259	/nfs/dbraw/zinc/93/12/59/178931259.db2.gz	GYQBDCYPGKGMDN-UHFFFAOYSA-N	0	0	260.249	2.808	1	5		CFBFRN
CCCOC(=O)c1cccc2nc3ccc(N)cc3nc21	ZINC000103223424	185817464	/nfs/dbraw/zinc/81/74/64/185817464.db2.gz	QNVBYWRGHQCOCC-UHFFFAOYSA-N	0	0	281.315	2.932	1	5		CFBFRN
C[C@H](O)CNc1cc(=O)c2ccc3ccccc3c2o1	ZINC000013676968	170576439	/nfs/dbraw/zinc/57/64/39/170576439.db2.gz	KVUJMEWHIPIJQN-FQJKJTRHSA-N	0	0	269.300	2.573	1	5		CFBFRN
CC(C)(O)[C@H]1Cc2c(c3ccccc3c3nccnc23)O1	ZINC000040584371	174345650	/nfs/dbraw/zinc/34/56/50/174345650.db2.gz	TXNDMNRDHOIRGI-CYBMUJFWSA-N	0	0	280.327	2.857	1	5		CFBFRN
C[C@H](CCn1ccnc1)Oc1ccccc1[N+](=O)[O-]	ZINC000045348942	175361470	/nfs/dbraw/zinc/36/14/70/175361470.db2.gz	OJZRGBAMKHBBQP-LLVKDONJSA-N	0	0	261.281	2.649	1	5		CFBFRN
C[C@@H](CCn1ccnc1)Oc1ccccc1[N+](=O)[O-]	ZINC000045348939	175361577	/nfs/dbraw/zinc/36/15/77/175361577.db2.gz	OJZRGBAMKHBBQP-NSHDSACASA-N	0	0	261.281	2.649	1	5		CFBFRN
Cc1coc2c1c(=O)oc1c3ccccc3n(C)c(=O)c21	ZINC000045365421	175362392	/nfs/dbraw/zinc/36/23/92/175362392.db2.gz	DWEIFLZZXNRFMQ-UHFFFAOYSA-N	0	0	281.267	2.700	1	5		CFBFRN
Cc1cc2cc(C(=O)N(C)C)c(=O)oc2c2ccccc12	ZINC000073156722	176456336	/nfs/dbraw/zinc/45/63/36/176456336.db2.gz	GHHIYXBQMPFUAP-UHFFFAOYSA-N	0	0	281.311	2.956	1	5		CFBFRN
O=c1nc(-c2ccc([N+](=O)[O-])cc2Cl)ss1	ZINC000095587728	185012480	/nfs/dbraw/zinc/01/24/80/185012480.db2.gz	SXKNCVRUBABKIB-UHFFFAOYSA-N	0	0	274.710	2.793	1	5		CFBFRN
O=Cc1ccc(Oc2ccc([N+](=O)[O-])c3nonc32)cc1	ZINC000096933443	185132791	/nfs/dbraw/zinc/13/27/91/185132791.db2.gz	WUJMHHGPJCHJSW-UHFFFAOYSA-N	0	0	285.215	2.736	1	5		CFBFRN
CN(C)C(=O)Nc1ccc2nc3ccccc3nc2c1	ZINC000096935015	185133071	/nfs/dbraw/zinc/13/30/71/185133071.db2.gz	HYOKFYWIJFYUEB-UHFFFAOYSA-N	0	0	266.304	2.877	1	5		CFBFRN
O=C(Nc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000013779415	170593160	/nfs/dbraw/zinc/59/31/60/170593160.db2.gz	VBIZDMWYWUAKCO-UHFFFAOYSA-N	0	0	284.275	2.584	1	5		CFBFRN
O=[N+]([O-])c1ccc2c(ccc3nc4ncccc4n32)c1	ZINC000072178497	176334814	/nfs/dbraw/zinc/33/48/14/176334814.db2.gz	KUAQPFUTTHLCES-UHFFFAOYSA-N	0	0	264.244	2.944	1	5		CFBFRN
CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000066079951	519638573	/nfs/dbraw/zinc/63/85/73/519638573.db2.gz	YRXHXELSVNNTGW-AWEZNQCLSA-N	0	0	299.286	2.885	1	5		CFBFRN
CCn1c(=O)nc2oc3ccc4ccccc4c3cc-2c1=O	ZINC000095555502	185008238	/nfs/dbraw/zinc/00/82/38/185008238.db2.gz	OLMCRMDNVNNUDW-UHFFFAOYSA-N	0	0	292.294	2.628	1	5		CFBFRN
O=[N+]([O-])c1ccccc1-n1cc(-c2ccccc2)nn1	ZINC000169339793	188659792	/nfs/dbraw/zinc/65/97/92/188659792.db2.gz	NBMPCSHGYSFTLP-UHFFFAOYSA-N	0	0	266.260	2.843	1	5		CFBFRN
O=[N+]([O-])c1ccc(-c2ncnn2-c2ccc(F)cc2)cc1	ZINC000000180929	169566181	/nfs/dbraw/zinc/56/61/81/169566181.db2.gz	KEDBMNVLYWBXLU-UHFFFAOYSA-N	0	0	284.250	2.982	1	5		CFBFRN
CCn1c2ccccc2cc2c(=O)nc(SC)nc1-2	ZINC000028651746	171569538	/nfs/dbraw/zinc/56/95/38/171569538.db2.gz	LTSUJFNTTKYKLU-UHFFFAOYSA-N	0	0	271.345	2.638	1	5		CFBFRN
O=c1[nH]c2c(nc3ccc(Cl)cn32)c2ccccc12	ZINC000045350925	175361822	/nfs/dbraw/zinc/36/18/22/175361822.db2.gz	JPTNPSZJDHEUFK-UHFFFAOYSA-N	0	0	269.691	2.982	1	5		CFBFRN
COc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)c([N+](=O)[O-])c1	ZINC000105194919	186046259	/nfs/dbraw/zinc/04/62/59/186046259.db2.gz	KIGXNPLYRNBWGT-UMNHJUIQSA-N	0	0	288.303	2.754	1	5		CFBFRN
O=c1c2ccccc2oc2cc(Cn3cnnc3)ccc21	ZINC000013861994	170605167	/nfs/dbraw/zinc/60/51/67/170605167.db2.gz	PGLQFPCEEUGERF-UHFFFAOYSA-N	0	0	277.283	2.586	1	5		CFBFRN
O=c1c2ccccc2sn1-c1ccc([N+](=O)[O-])cc1	ZINC000026733085	171496991	/nfs/dbraw/zinc/49/69/91/171496991.db2.gz	TZTYWSXJWHDMBM-UHFFFAOYSA-N	0	0	272.285	2.960	1	5		CFBFRN
C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000027751352	171531384	/nfs/dbraw/zinc/53/13/84/171531384.db2.gz	JHGGTGRLCDURAM-VIFPVBQESA-N	0	0	294.307	2.691	1	5		CFBFRN
CC(C)Cn1cnc2c1c1cc([N+](=O)[O-])ccc1nc2N	ZINC000028475779	171560300	/nfs/dbraw/zinc/56/03/00/171560300.db2.gz	ZLCQXXAIEDJOQQ-UHFFFAOYSA-N	0	0	285.307	2.731	1	5		CFBFRN
COc1ccc(O)c2c(=O)c3c(O)cc(C)cc3oc12	ZINC000014815342	560226558	/nfs/dbraw/zinc/22/65/58/560226558.db2.gz	SNBQFXGZSPRJLG-UHFFFAOYSA-N	0	0	272.256	2.674	1	5	biogenic,in-vitro	CFBFRN
CC(=O)Nc1cc(/C=C\c2ccc([N+](=O)[O-])o2)ns1	ZINC000095578911	185010923	/nfs/dbraw/zinc/01/09/23/185010923.db2.gz	KHDIYWKZRAWYOR-IHWYPQMZSA-N	0	0	279.277	2.773	1	5		CFBFRN
COc1ccc2oc3cccc(OC)c3c(=O)c2c1OC	ZINC000014821922	290857327	/nfs/dbraw/zinc/85/73/27/290857327.db2.gz	ISPIEUDMAMLTKT-UHFFFAOYSA-N	0	0	286.283	2.972	1	5	biogenic,in-vitro	CFBFRN
O=C(Nc1nc(Cl)c([N+](=O)[O-])s1)c1ccccc1	ZINC000049110974	527508619	/nfs/dbraw/zinc/50/86/19/527508619.db2.gz	HXMWVTCZBUHELV-UHFFFAOYSA-N	0	0	283.696	2.957	1	5		CFBFRN
COc1c2c(cc3c(=O)c4ccccc4oc31)OCO2	ZINC000014822050	560226835	/nfs/dbraw/zinc/22/68/35/560226835.db2.gz	VVUQORLQHOKQDW-UHFFFAOYSA-N	0	0	270.240	2.684	1	5	biogenic,in-vitro	CFBFRN
COc1ccc2oc3ccc(O)c(OC)c3c(=O)c2c1	ZINC000014821908	290857328	/nfs/dbraw/zinc/85/73/28/290857328.db2.gz	PIGYJVNDGBCMES-UHFFFAOYSA-N	0	0	272.256	2.669	1	5	biogenic,in-vitro	CFBFRN
O=C(CSc1ccsc1[N+](=O)[O-])N1CCCCC1	ZINC000005069167	170063462	/nfs/dbraw/zinc/06/34/62/170063462.db2.gz	NLYFQYZOGYOXBF-UHFFFAOYSA-N	0	0	286.378	2.761	3	5		CFBFRN
COc1ccc(N(C)c2nc(OC)ccc2[N+](=O)[O-])cc1	ZINC000095598442	185015049	/nfs/dbraw/zinc/01/50/49/185015049.db2.gz	DMDKMHAGPCBGEF-UHFFFAOYSA-N	0	0	289.291	2.775	1	5		CFBFRN
O=c1cc(N2CCOCC2)c2ccc3ccccc3c2o1	ZINC000013608042	134688026	/nfs/dbraw/zinc/68/80/26/134688026.db2.gz	QPPKEHFJUVBRAD-UHFFFAOYSA-N	0	0	281.311	2.783	1	5	in-vivo	CFBFRN
O=[N+]([O-])c1ccccc1/C=C/c1ccc2c(c1)no[n+]2[O-]	ZINC000028648429	171569043	/nfs/dbraw/zinc/56/90/43/171569043.db2.gz	YLFHFUONPXOJNB-FNORWQNLSA-N	0	0	283.243	2.540	1	5		CFBFRN
O=c1[nH]c2c(nc3cc(Cl)ccn32)c2ccccc12	ZINC000045348933	175361590	/nfs/dbraw/zinc/36/15/90/175361590.db2.gz	SOOIBVIVGQQXKC-UHFFFAOYSA-N	0	0	269.691	2.982	1	5		CFBFRN
C[C@@H](CCn1ccnc1)Oc1ccc([N+](=O)[O-])cc1	ZINC000045392915	175375815	/nfs/dbraw/zinc/37/58/15/175375815.db2.gz	QKRGYNNCLHGLKK-NSHDSACASA-N	0	0	261.281	2.649	1	5		CFBFRN
CCCCC/C=C/C(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C	ZINC000085589970	179100042	/nfs/dbraw/zinc/10/00/42/179100042.db2.gz	YMIVWYONPRZBEJ-LXKVQUBZSA-O	0	0	286.392	2.563	1	5	endogenous,in-man	CFBFRN
COC(=O)c1ccc2oc3cc(OC)ccc3c(=O)c2c1	ZINC000014513443	290854018	/nfs/dbraw/zinc/85/40/18/290854018.db2.gz	HLNNOSVYGGFKMC-UHFFFAOYSA-N	0	0	284.267	2.741	1	5	biogenic,in-vitro	CFBFRN
COc1cc(OC)c2oc3ccccc3c(=O)c2c1O	ZINC000014821889	290855670	/nfs/dbraw/zinc/85/56/70/290855670.db2.gz	XYDMKISPXKYQOC-UHFFFAOYSA-N	0	0	272.256	2.669	1	5	biogenic,in-vitro	CFBFRN
CCN(CC)c1ccc2nc3cc(C)c(N)cc3[o+]c2c1	ZINC000004521067	371862588	/nfs/dbraw/zinc/86/25/88/371862588.db2.gz	NQQCVCPUFMNZCE-UHFFFAOYSA-O	0	0	282.367	2.635	2	5		CFBFRN
C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000027751345	171531338	/nfs/dbraw/zinc/53/13/38/171531338.db2.gz	JHGGTGRLCDURAM-SECBINFHSA-N	0	0	294.307	2.691	1	5		CFBFRN
NC(=O)c1cc2c(c3c4ccccc4ccc13)OCO2	ZINC000066098465	527034523	/nfs/dbraw/zinc/03/45/23/527034523.db2.gz	MOCSPCCAGNSGTH-UHFFFAOYSA-N	0	0	265.268	2.821	1	5		CFBFRN
O=[N+]([O-])c1c(Br)cccc1CC1OC=CO1	ZINC000205426478	382773591	/nfs/dbraw/zinc/77/35/91/382773591.db2.gz	DKUDVFOHUBXGGC-UHFFFAOYSA-N	0	0	286.081	2.744	2	5		CFBFRN
COc1ccc(NC(=S)c2ccc([N+](=O)[O-])o2)cc1	ZINC000006484180	170204700	/nfs/dbraw/zinc/20/47/00/170204700.db2.gz	OWQDEMZCGPNPOO-UHFFFAOYSA-N	0	0	278.289	2.984	1	5		CFBFRN
O=c1oc2cc(O)ccc2c2[nH]c3cc(O)ccc3c21	ZINC000006513462	170208497	/nfs/dbraw/zinc/20/84/97/170208497.db2.gz	BUSSJLNPECLYJI-UHFFFAOYSA-N	0	0	267.240	2.839	1	5		CFBFRN
Cc1nc[nH]c1Cn1ccc2ccc3cccnc3c2c1=O	ZINC000026993825	171505381	/nfs/dbraw/zinc/50/53/81/171505381.db2.gz	JWLSDZFNRYLTIL-UHFFFAOYSA-N	0	0	290.326	2.630	1	5		CFBFRN
O=C(N=c1[nH]c2ccccc2[nH]1)Nc1cccc([N+](=O)[O-])c1	ZINC000040566760	174338147	/nfs/dbraw/zinc/33/81/47/174338147.db2.gz	MWVYTKQCQFZQFQ-UHFFFAOYSA-N	0	0	297.274	2.537	1	5		CFBFRN
CC(C)(O)[C@@H]1Cc2c(c3ccccc3c3nccnc23)O1	ZINC000040584369	174345841	/nfs/dbraw/zinc/34/58/41/174345841.db2.gz	TXNDMNRDHOIRGI-ZDUSSCGKSA-N	0	0	280.327	2.857	1	5		CFBFRN
O=C1NC(=O)[C@@H](c2c3ccccc3cc3ccccc32)N1	ZINC000073159919	176457331	/nfs/dbraw/zinc/45/73/31/176457331.db2.gz	CTJRNZMUMVUMDA-OAHLLOKOSA-N	0	0	276.295	2.874	1	5		CFBFRN
CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000059271604	519638613	/nfs/dbraw/zinc/63/86/13/519638613.db2.gz	QMZXIDRFNUSIEJ-CQSZACIVSA-N	0	0	299.286	2.885	1	5		CFBFRN
O=[N+]([O-])c1cn(-c2ccccc2OC(F)(F)F)cn1	ZINC000095576607	185011261	/nfs/dbraw/zinc/01/12/61/185011261.db2.gz	VJUNOUSRZSASCD-UHFFFAOYSA-N	0	0	273.170	2.679	1	5		CFBFRN
O=[N+]([O-])c1cccc2c3c([nH]c21)-c1n[nH]cc1CC3	ZINC000096922162	185130552	/nfs/dbraw/zinc/13/05/52/185130552.db2.gz	YSUBMJNTMDRUBJ-UHFFFAOYSA-N	0	0	254.249	2.565	1	5		CFBFRN
COc1cc(OC)c2c(c1)oc1ccccc1c2=O	ZINC000005916117	170155100	/nfs/dbraw/zinc/15/51/00/170155100.db2.gz	XUJKWTWHRAZVCN-UHFFFAOYSA-N	0	0	256.257	2.963	1	5		CFBFRN
CO[C@]1(C)Oc2ccc3cccc([N+](=O)[O-])c3c2C1=O	ZINC000045168649	175320096	/nfs/dbraw/zinc/32/00/96/175320096.db2.gz	IGSDCVMGZGSJDC-CQSZACIVSA-N	0	0	273.244	2.686	1	5		CFBFRN
O=[N+]([O-])c1cn(-c2ccc(OC(F)(F)F)cc2)cn1	ZINC000095576656	185011187	/nfs/dbraw/zinc/01/11/87/185011187.db2.gz	PXSHHAWWLXVGQS-UHFFFAOYSA-N	0	0	273.170	2.679	1	5		CFBFRN
COc1c(O)cc2c(=O)oc3cc(O)cc4ccc1c2c43	ZINC000014817716	290854765	/nfs/dbraw/zinc/85/47/65/290854765.db2.gz	FHMVNGNRHMPWOI-UHFFFAOYSA-N	0	0	282.251	2.957	1	5	biogenic,in-vitro	CFBFRN
NC(=O)c1ccc([N+](=O)[O-])cc1SCc1ccccc1	ZINC000000269089	169592676	/nfs/dbraw/zinc/59/26/76/169592676.db2.gz	KSTMVDNMAZOCMV-UHFFFAOYSA-N	0	0	288.328	2.986	3	5		CFBFRN
Cc1cnc(-c2cccc([N+](=O)[O-])c2)n2nc(Cl)nc12	ZINC000028241261	171553389	/nfs/dbraw/zinc/55/33/89/171553389.db2.gz	OXKSKYQIPZUNJY-UHFFFAOYSA-N	0	0	289.682	2.661	1	5		CFBFRN
COC(=O)c1c2ccccc2n2c1[nH]c1ccccc1c2=O	ZINC000040393347	174252517	/nfs/dbraw/zinc/25/25/17/174252517.db2.gz	SJEKGIWFCNGPHF-UHFFFAOYSA-N	0	0	292.294	2.721	1	5		CFBFRN
CC(=O)Nc1ccc(-c2csc(C)n2)cc1[N+](=O)[O-]	ZINC000040430951	174259999	/nfs/dbraw/zinc/25/99/99/174259999.db2.gz	HCROBKFJATXYCU-UHFFFAOYSA-N	0	0	277.305	2.985	1	5		CFBFRN
COc1nn(-c2ccccc2)c2ccc([N+](=O)[O-])cc12	ZINC000095572954	185010617	/nfs/dbraw/zinc/01/06/17/185010617.db2.gz	QZMAYMKQWSDSET-UHFFFAOYSA-N	0	0	269.260	2.942	1	5		CFBFRN
Cc1nc([N+](=O)[O-])cn1-c1ccc(OC(F)(F)F)cc1	ZINC000095578843	185011545	/nfs/dbraw/zinc/01/15/45/185011545.db2.gz	IHVMNPZNKOPCAU-UHFFFAOYSA-N	0	0	287.197	2.988	1	5		CFBFRN
CN(C)c1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1	ZINC000028957227	171581828	/nfs/dbraw/zinc/58/18/28/171581828.db2.gz	STYKMJLGIKIXIB-UHFFFAOYSA-N	0	0	298.302	2.915	1	5		CFBFRN
C[C@@H]1C[C@@H]2C[C@@H]3CCCC(=O)N3[C@H]3CCC[C@@H](C1)[N+]23[O-]	ZINC000014583487	717110278	/nfs/dbraw/zinc/11/02/78/717110278.db2.gz	MQPBZRMOAZLBEO-IOBQICFRSA-N	0	0	278.396	2.763	1	5		CFBFRN
C[N+](C)([O-])CCCNc1ccnc2cccc([N+](=O)[O-])c21	ZINC000034172175	717124312	/nfs/dbraw/zinc/12/43/12/717124312.db2.gz	CKFJANROXRSTGX-UHFFFAOYSA-N	0	0	290.323	2.519	1	5		CFBFRN
Cc1ccc(/C=C/c2ncc([N+](=O)[O-])n2C[C@@H](C)O)cc1	ZINC000096929059	185132048	/nfs/dbraw/zinc/13/20/48/185132048.db2.gz	SZWYBXQRSDVLEJ-ABZNLYFFSA-N	0	0	287.319	2.651	1	5		CFBFRN
COc1c2ccccc2c2nccc3c2c1N(C)C(=O)C3=O	ZINC000014516256	136479054	/nfs/dbraw/zinc/47/90/54/136479054.db2.gz	QTEJCDJYVNJQSZ-UHFFFAOYSA-N	0	0	292.294	2.556	1	5		CFBFRN
CCc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1	ZINC000008148955	170321469	/nfs/dbraw/zinc/32/14/69/170321469.db2.gz	FFFAZJKACIYXDZ-UHFFFAOYSA-N	0	0	285.303	3.000	3	5		CFBFRN
C[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1	ZINC000045356664	175362020	/nfs/dbraw/zinc/36/20/20/175362020.db2.gz	LTLFRBMKBHQUTH-LLVKDONJSA-N	0	0	262.309	2.652	1	5	in-vivo	CFBFRN
O=C1OCC(Nc2cccc([N+](=O)[O-])c2)=C1c1ccccc1	ZINC000072116946	176318787	/nfs/dbraw/zinc/31/87/87/176318787.db2.gz	XFSTUPZBHVSPAZ-UHFFFAOYSA-N	0	0	296.282	2.975	1	5		CFBFRN
COc1cc(OC[C@H]2CO2)cc2oc3ccccc3c(=O)c12	ZINC000064527880	522890962	/nfs/dbraw/zinc/89/09/62/522890962.db2.gz	DTYOZZZAYPACPN-NSHDSACASA-N	0	0	298.294	2.732	1	5	in-vivo	CFBFRN
O=C(Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000049046852	527539742	/nfs/dbraw/zinc/53/97/42/527539742.db2.gz	FEXIACXVSOXNIR-UHFFFAOYSA-N	0	0	293.260	2.817	1	5		CFBFRN
C[P@@](=O)(OCCF)Oc1ccc([N+](=O)[O-])cc1	ZINC000095602537	185015246	/nfs/dbraw/zinc/01/52/46/185015246.db2.gz	BBDQLOUKNUVPFF-QGZVFWFLSA-N	0	0	263.161	2.783	1	5		CFBFRN
O=[N+]([O-])c1ccc(OCc2ccccc2)c2nonc21	ZINC000096933895	185133358	/nfs/dbraw/zinc/13/33/58/185133358.db2.gz	MLNCFZZSWRJDJT-UHFFFAOYSA-N	0	0	271.232	2.710	1	5		CFBFRN
CCCOC(=O)c1cccc2nc3cc(N)ccc3nc21	ZINC000103223412	185817418	/nfs/dbraw/zinc/81/74/18/185817418.db2.gz	TWCMZSKYPIXXHS-UHFFFAOYSA-N	0	0	281.315	2.932	1	5		CFBFRN
Cc1cnc2sn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2c1	ZINC000001860703	169760986	/nfs/dbraw/zinc/76/09/86/169760986.db2.gz	AXKZWVZGLCQMJV-UHFFFAOYSA-N	0	0	287.300	2.664	1	5		CFBFRN
CSc1nc(=O)c2cc3cc(Cl)ccc3n(C)c-2n1	ZINC000028651764	171569590	/nfs/dbraw/zinc/56/95/90/171569590.db2.gz	KOHZMQOSHHDIGH-UHFFFAOYSA-N	0	0	291.763	2.809	1	5		CFBFRN
O=C1OCC(Nc2ccccc2[N+](=O)[O-])=C1c1ccccc1	ZINC000072114790	176318479	/nfs/dbraw/zinc/31/84/79/176318479.db2.gz	UBXAEFYWXRROPM-UHFFFAOYSA-N	0	0	296.282	2.975	1	5		CFBFRN
Nc1cccc(Sc2ccc([N+](=O)[O-])c3nonc32)c1	ZINC000096933902	185133016	/nfs/dbraw/zinc/13/30/16/185133016.db2.gz	OVOWLIVSVWHRKY-UHFFFAOYSA-N	0	0	288.288	2.864	1	5		CFBFRN
COc1ccc2oc3c(O)c(OC)ccc3c(=O)c2c1	ZINC000014822064	290857334	/nfs/dbraw/zinc/85/73/34/290857334.db2.gz	MFXGHYSTFDEGTO-UHFFFAOYSA-N	0	0	272.256	2.669	1	5	biogenic,in-vitro	CFBFRN
O[C@H]1[C@H]2O[C@H]2c2c3ccc4ccccc4c3ccc2[C@@H]1O	ZINC000005935231	170157434	/nfs/dbraw/zinc/15/74/34/170157434.db2.gz	KPTYXJLOWLVCMU-XWTMOSNGSA-N	0	0	278.307	2.841	1	5		CFBFRN
CO[C@@]1(C)Oc2ccc3cccc([N+](=O)[O-])c3c2C1=O	ZINC000045168651	175319989	/nfs/dbraw/zinc/31/99/89/175319989.db2.gz	IGSDCVMGZGSJDC-AWEZNQCLSA-N	0	0	273.244	2.686	1	5		CFBFRN
CCOC(=O)c1cc(/C=C\c2cccc([N+](=O)[O-])c2)on1	ZINC000045302539	175354855	/nfs/dbraw/zinc/35/48/55/175354855.db2.gz	NCSNWLZRWBBERZ-SREVYHEPSA-N	0	0	288.259	2.930	1	5		CFBFRN
OCCCCc1[nH]c2ccccc2c2ncnc3ncc1-c32	ZINC000045389279	175374264	/nfs/dbraw/zinc/37/42/64/175374264.db2.gz	SEQCRYAAIRFBEP-UHFFFAOYSA-N	0	0	292.342	2.974	1	5		CFBFRN
O=c1c2ccc[nH]c-2nc2ccc3scnc3c21	ZINC000005581268	170115801	/nfs/dbraw/zinc/11/58/01/170115801.db2.gz	SQKLXLYWOZGOCD-UHFFFAOYSA-N	0	0	253.286	2.686	1	5		CFBFRN
O=C1Nc2cc3c(O)cc(O)cc3c3c4c(cc1c23)OCO4	ZINC000045357581	175362128	/nfs/dbraw/zinc/36/21/28/175362128.db2.gz	JNFXAXHKAHFZJR-UHFFFAOYSA-N	0	0	295.250	2.699	1	5		CFBFRN
Cc1sc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc(=O)c2c1C	ZINC000096907901	185127696	/nfs/dbraw/zinc/12/76/96/185127696.db2.gz	CZLCRMYEULHMJE-UHFFFAOYSA-N	0	0	291.288	2.770	1	5		CFBFRN
Cc1ccc(/C=C/c2ncc([N+](=O)[O-])n2C[C@H](C)O)cc1	ZINC000096929060	185132165	/nfs/dbraw/zinc/13/21/65/185132165.db2.gz	SZWYBXQRSDVLEJ-GUOLPTJISA-N	0	0	287.319	2.651	1	5		CFBFRN
COc1cc(O)c2c(=O)c3c(C)cccc3n(C)c2c1	ZINC000006491438	170205936	/nfs/dbraw/zinc/20/59/36/170205936.db2.gz	YEYSAZDGERSVQW-UHFFFAOYSA-N	0	0	269.300	2.714	1	5		CFBFRN
COc1cc(O)c2c(c1)[nH]c1c(C)cccc1c2=O	ZINC000006491432	170206038	/nfs/dbraw/zinc/20/60/38/170206038.db2.gz	KIOGLALGCJHJDX-UHFFFAOYSA-N	0	0	255.273	2.704	1	5		CFBFRN
O=c1cc(N2CCC[C@H]2CO)oc2c1ccc1ccccc12	ZINC000013676944	170576681	/nfs/dbraw/zinc/57/66/81/170576681.db2.gz	YTZJMQRTSPOHDC-ZDUSSCGKSA-N	0	0	295.338	2.907	1	5		CFBFRN
COc1cc2[nH]c3ccccc3c(=O)c2c(OC)c1OC	ZINC000014774886	560226122	/nfs/dbraw/zinc/22/61/22/560226122.db2.gz	ZUOLILKPUZXGOU-UHFFFAOYSA-N	0	0	285.299	2.707	1	5	biogenic,in-vitro	CFBFRN
COc1cc2c(cc(OC)c3cc(C)c(O)cc32)oc1=O	ZINC000084654730	178910080	/nfs/dbraw/zinc/91/00/80/178910080.db2.gz	MMFNBDHJTRBPEN-UHFFFAOYSA-N	0	0	286.283	2.977	1	5		CFBFRN
COc1ccc([N+](=O)[O-])c2c(OC)ccc([N+](=O)[O-])c12	ZINC000005358379	170089316	/nfs/dbraw/zinc/08/93/16/170089316.db2.gz	MFYLMDOGKKSTKD-UHFFFAOYSA-N	0	0	278.220	2.673	1	5		CFBFRN
COc1ccc2c(c1)[nH]c1cc(OC)ccc1c2=O	ZINC000045322950	175359759	/nfs/dbraw/zinc/35/97/59/175359759.db2.gz	WRTCFBAHZFIFAX-UHFFFAOYSA-N	0	0	255.273	2.699	1	5		CFBFRN
O=c1[nH]ccc2c(NC3CC3)nc3ccc(F)cc3c12	ZINC000059047095	527445909	/nfs/dbraw/zinc/44/59/09/527445909.db2.gz	JVUPCNIPPMTQKN-UHFFFAOYSA-N	0	0	269.279	2.790	1	5		CFBFRN
CCCCOC(=O)c1ccc(-n2cnc([N+](=O)[O-])c2)cc1	ZINC000095578848	185010970	/nfs/dbraw/zinc/01/09/70/185010970.db2.gz	UFWMCITVHKTFEY-UHFFFAOYSA-N	0	0	289.291	2.737	1	5		CFBFRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]2CC[C@@H]1C2	ZINC000000567269	371640680	/nfs/dbraw/zinc/64/06/80/371640680.db2.gz	IUTLHHLKABEKQO-KMFKKZHKSA-N	0	0	286.331	2.913	1	5		CFBFRN
O=[N+]([O-])c1cccc(-n2cnc3nc4ccccc4nc32)c1	ZINC000012405818	170485864	/nfs/dbraw/zinc/48/58/64/170485864.db2.gz	BGEWCMHVGRKXDV-UHFFFAOYSA-N	0	0	291.270	2.877	1	5		CFBFRN
O=C(Nc1ccccc1N1CCC1)c1ccc([N+](=O)[O-])o1	ZINC000028960085	171582213	/nfs/dbraw/zinc/58/22/13/171582213.db2.gz	NBIVMEQICGBAGR-UHFFFAOYSA-N	0	0	287.275	2.650	1	5		CFBFRN
COc1ccc2c(c1)[nH]c(=O)c1c3ccccc3cn12	ZINC000029051823	171584709	/nfs/dbraw/zinc/58/47/09/171584709.db2.gz	MKSBPJHYGYRHHG-UHFFFAOYSA-N	0	0	264.284	2.943	1	5		CFBFRN
O=[N+]([O-])c1ccccc1-c1sc2cccc[n+]2c1[O-]	ZINC000029405143	171597694	/nfs/dbraw/zinc/59/76/94/171597694.db2.gz	HATMPXBHQYVTQD-UHFFFAOYSA-O	0	0	273.293	2.768	1	5		CFBFRN
COc1cc(/C=C/c2cccc([N+](=O)[O-])c2)oc(=O)c1	ZINC000038816019	174156506	/nfs/dbraw/zinc/15/65/06/174156506.db2.gz	OVIALWVJQXNHPR-AATRIKPKSA-N	0	0	273.244	2.727	1	5		CFBFRN
COc1ccc2c3ccccc3[n+]([O-])cc2c1OC	ZINC000040863828	174426244	/nfs/dbraw/zinc/42/62/44/174426244.db2.gz	LYTAXZOPQLOSRZ-UHFFFAOYSA-N	0	0	255.273	2.644	1	5		CFBFRN
C[C@H](CCn1ccnc1)Oc1ccc([N+](=O)[O-])cc1F	ZINC000045386262	175371961	/nfs/dbraw/zinc/37/19/61/175371961.db2.gz	UQRJWGWYNGKHSY-SNVBAGLBSA-N	0	0	279.271	2.788	1	5		CFBFRN
O=[N+]([O-])c1ccc(/C=C\c2ccc3no[n+]([O-])c3c2)s1	ZINC000073021842	176448983	/nfs/dbraw/zinc/44/89/83/176448983.db2.gz	KTNZXZLHHQWFAO-IWQZZHSRSA-N	0	0	289.272	2.601	1	5		CFBFRN
COc1cc2c3c(cc4c(O)cccc4c3c1O)NC2=O	ZINC000095910074	560059121	/nfs/dbraw/zinc/05/91/21/560059121.db2.gz	SKDMRFXMURMAQL-UHFFFAOYSA-N	0	0	281.267	2.979	1	5	biogenic,in-vitro	CFBFRN
O=c1c2ccccc2oc2c(O)ccc(Cn3ccnc3)c12	ZINC000095589185	185013512	/nfs/dbraw/zinc/01/35/12/185013512.db2.gz	PHSPPOUTJWWXDM-UHFFFAOYSA-N	0	0	292.294	2.897	1	5		CFBFRN
CCOC(=O)c1c2ccccn2c2cc(F)ccc2c1=O	ZINC000100992545	185731569	/nfs/dbraw/zinc/73/15/69/185731569.db2.gz	NRTOHMJUVNTKCX-UHFFFAOYSA-O	0	0	286.282	2.600	1	5		CFBFRN
O=c1[nH]c2cc([N+](=O)[O-])ccc2n1C1CCCCC1	ZINC000072173398	176333526	/nfs/dbraw/zinc/33/35/26/176333526.db2.gz	GUAIDJIYSGITIK-UHFFFAOYSA-N	0	0	261.281	2.743	1	5		CFBFRN