smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(Cl)c1	ZINC000014005022	206307906	/nfs/dbraw/zinc/30/79/06/206307906.db2.gz	CVZLGAGLMIQNOR-UHFFFAOYSA-N	-1	0	351.771	3.081	40	5		FGBBRM
Cc1cc([N+](=O)[O-])c(Cl)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000006922036	493987665	/nfs/dbraw/zinc/98/76/65/493987665.db2.gz	FNVJEUKADMYUGL-UHFFFAOYSA-N	-1	0	371.758	3.266	40	5		FGBBRM
O=c1[n-]c(-c2cccc([N+](=O)[O-])c2)nn1-c1ccc(Cl)cc1Cl	ZINC000015444186	494354242	/nfs/dbraw/zinc/35/42/42/494354242.db2.gz	KGUUPTVEHVPZSF-UHFFFAOYSA-N	-1	0	351.149	3.443	40	5		FGBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000020140792	494467322	/nfs/dbraw/zinc/46/73/22/494467322.db2.gz	SLAGWEMSUSKBHR-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCc2ccccc2)[nH]1	ZINC000006829530	204274505	/nfs/dbraw/zinc/27/45/05/204274505.db2.gz	OYLFWFWQPODVJZ-ZHACJKMWSA-N	-1	0	365.345	3.133	40	5		FGBBRM
COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1[N+](=O)[O-]	ZINC000013167678	206300897	/nfs/dbraw/zinc/30/08/97/206300897.db2.gz	YULWVXIZUUHGMT-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000020142938	220315996	/nfs/dbraw/zinc/31/59/96/220315996.db2.gz	AFZBJOCQVKZLIP-UHFFFAOYSA-N	-1	0	369.377	3.454	40	5		FGBBRM
CCCCN1C(=O)S/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409075250	570718945	/nfs/dbraw/zinc/71/89/45/570718945.db2.gz	XZLFPHKGRBWVRO-WQLSENKSSA-N	-1	0	352.368	3.145	40	5		FGBBRM
O=C1NC(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000409175351	570735521	/nfs/dbraw/zinc/73/55/21/570735521.db2.gz	XRELPEZZMDSMRW-MDWZMJQESA-N	-1	0	359.725	3.051	40	5		FGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]1	ZINC000409322390	570750005	/nfs/dbraw/zinc/75/00/05/570750005.db2.gz	WLSZQLVMSZTHGH-ALCCZGGFSA-N	-1	0	370.277	3.135	40	5		FGBBRM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1	ZINC000409378678	570755590	/nfs/dbraw/zinc/75/55/90/570755590.db2.gz	RLUVQEILXVAOPM-UHFFFAOYSA-N	-1	0	365.139	3.308	40	5		FGBBRM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1	ZINC000037385722	527367210	/nfs/dbraw/zinc/36/72/10/527367210.db2.gz	YGNLEYXJSCCCCY-UHFFFAOYSA-N	-1	0	357.185	3.158	40	5		FGBBRM
O=C([O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1	ZINC000020142926	220316490	/nfs/dbraw/zinc/31/64/90/220316490.db2.gz	XZXMXJVXNYPAMP-UHFFFAOYSA-N	-1	0	355.350	3.146	40	5		FGBBRM
O=C([O-])c1ccc(CNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000013092460	494278134	/nfs/dbraw/zinc/27/81/34/494278134.db2.gz	ZWLZSBMLVGLCJU-UHFFFAOYSA-N	-1	0	366.329	3.483	40	5		FGBBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C	ZINC000039973433	205048025	/nfs/dbraw/zinc/04/80/25/205048025.db2.gz	VDOZRNLWJAXREJ-UHFFFAOYSA-N	-1	0	356.787	3.366	40	5		FGBBRM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1C	ZINC000004949873	206185424	/nfs/dbraw/zinc/18/54/24/206185424.db2.gz	BDZDEKIQILKEOT-UHFFFAOYSA-N	-1	0	365.367	3.229	40	5		FGBBRM
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(C(=O)[O-])c1O	ZINC000020141056	494467272	/nfs/dbraw/zinc/46/72/72/494467272.db2.gz	KTXSYFNDXVAVAT-UHFFFAOYSA-N	-1	0	350.714	3.213	40	5		FGBBRM
O=C1S/C(=C\c2cc([N+](=O)[O-])c([O-])cc2O)C(=O)N1c1ccccc1	ZINC000408816674	499595231	/nfs/dbraw/zinc/59/52/31/499595231.db2.gz	UGQJSNBMOFEWFI-AUWJEWJLSA-N	-1	0	358.331	3.247	40	5		FGBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)N1	ZINC000409056452	570716875	/nfs/dbraw/zinc/71/68/75/570716875.db2.gz	MHLJXLSJMMYRMD-XCVCLJGOSA-N	-1	0	368.132	3.342	40	5		FGBBRM
Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cccc1C(=O)[O-]	ZINC000020142947	220316257	/nfs/dbraw/zinc/31/62/57/220316257.db2.gz	COXCXOHECXDOKF-UHFFFAOYSA-N	-1	0	369.377	3.454	40	5		FGBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000020137235	494467266	/nfs/dbraw/zinc/46/72/66/494467266.db2.gz	FDSNUOOPBDUFRV-UHFFFAOYSA-N	-1	0	364.741	3.136	40	5		FGBBRM
Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1O	ZINC000020141137	494467940	/nfs/dbraw/zinc/46/79/40/494467940.db2.gz	JEIHZHZCLVLUSH-UHFFFAOYSA-N	-1	0	350.714	3.213	40	5		FGBBRM
COc1ccc(/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000004913611	204175247	/nfs/dbraw/zinc/17/52/47/204175247.db2.gz	KIWCEGVRWYVDQU-RIYZIHGNSA-N	-1	0	359.334	3.246	40	5		FGBBRM
Cc1ccc(NC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1Cl	ZINC000013187273	206302030	/nfs/dbraw/zinc/30/20/30/206302030.db2.gz	PEGCQCNNYKUYCT-UHFFFAOYSA-N	-1	0	364.741	3.272	40	5		FGBBRM
Cc1ccc(Sc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000006477514	493964959	/nfs/dbraw/zinc/96/49/59/493964959.db2.gz	KWOWUYAHBNSDLZ-XBXARRHUSA-N	-1	0	371.374	3.194	40	5		FGBBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1[N+](=O)[O-]	ZINC000022259047	494518618	/nfs/dbraw/zinc/51/86/18/494518618.db2.gz	XWMMFSRJVDWTHH-UHFFFAOYSA-N	-1	0	356.787	3.366	40	5		FGBBRM
C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)S1	ZINC000222571111	497025637	/nfs/dbraw/zinc/02/56/37/497025637.db2.gz	VZOQWWJUUOLLMP-JQAFLVLXSA-N	-1	0	356.407	3.285	40	5		FGBBRM
O=C1NC(=Cc2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1	ZINC000409100036	499595794	/nfs/dbraw/zinc/59/57/94/499595794.db2.gz	PIHSOJSGCCBBEO-WUXMJOGZSA-N	-1	0	359.725	3.051	40	5		FGBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000020141082	494467523	/nfs/dbraw/zinc/46/75/23/494467523.db2.gz	RREDIAYLJLVETG-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
COc1ccc(C(=O)n2c(C)c(C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-]	ZINC000216959295	496993034	/nfs/dbraw/zinc/99/30/34/496993034.db2.gz	INNXDHRZTANMMA-UHFFFAOYSA-N	-1	0	354.318	3.253	40	5		FGBBRM
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000408626365	499593435	/nfs/dbraw/zinc/59/34/35/499593435.db2.gz	GULLTGNTSZFVBL-UHFFFAOYSA-N	-1	0	365.798	3.010	40	5		FGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[nH]1	ZINC000409311945	570586386	/nfs/dbraw/zinc/58/63/86/570586386.db2.gz	ICWQOPLGEWYUEG-XQRVVYSFSA-N	-1	0	370.277	3.135	40	5		FGBBRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1	ZINC000192705583	497190679	/nfs/dbraw/zinc/19/06/79/497190679.db2.gz	YXHZNMATWLJIGN-UHFFFAOYSA-N	-1	0	369.402	3.381	40	5		FGBBRM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CC[C@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000005101200	207080047	/nfs/dbraw/zinc/08/00/47/207080047.db2.gz	PEOHBSSDDBSWLW-SONRMIBWSA-N	-1	0	374.393	3.235	40	5		FGBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000020142724	494467405	/nfs/dbraw/zinc/46/74/05/494467405.db2.gz	KNIHHKWQJJEHIP-UHFFFAOYSA-N	-1	0	369.377	3.454	40	5		FGBBRM
CC(=O)C(=C([O-])c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C)[N+](=O)[O-]	ZINC000222036615	497021213	/nfs/dbraw/zinc/02/12/13/497021213.db2.gz	IZUINJRMNCKNSE-PJSAGSTRSA-N	-1	0	370.361	3.432	40	5		FGBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020141125	494467861	/nfs/dbraw/zinc/46/78/61/494467861.db2.gz	WKXGYKZWPIEYAW-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
CCCOc1ccc2ccccc2c1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000006324660	493959197	/nfs/dbraw/zinc/95/91/97/493959197.db2.gz	AUNRLKTUWJYPHQ-CMDGGOBGSA-N	-1	0	367.361	3.084	40	5		FGBBRM
O=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccc(Cl)cc1Cl	ZINC000015443902	494354260	/nfs/dbraw/zinc/35/42/60/494354260.db2.gz	GDYNQDVAXQLYQY-UHFFFAOYSA-N	-1	0	351.149	3.443	40	5		FGBBRM
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000223251958	497034230	/nfs/dbraw/zinc/03/42/30/497034230.db2.gz	ROLFWEHLKRPBOU-UHFFFAOYSA-N	-1	0	358.379	3.094	40	5		FGBBRM
O=C1NC(=Cc2cccc([N+](=O)[O-])c2[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000409173632	570583319	/nfs/dbraw/zinc/58/33/19/570583319.db2.gz	NAQUWQYHJQWIMJ-XYOKQWHBSA-N	-1	0	359.725	3.051	40	5		FGBBRM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000005101198	207079803	/nfs/dbraw/zinc/07/98/03/207079803.db2.gz	PEOHBSSDDBSWLW-AWBCAMRRSA-N	-1	0	374.393	3.235	40	5		FGBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000020142734	494467497	/nfs/dbraw/zinc/46/74/97/494467497.db2.gz	YMYNZVDOBYAIRU-UHFFFAOYSA-N	-1	0	369.377	3.454	40	5		FGBBRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000216934839	525666230	/nfs/dbraw/zinc/66/62/30/525666230.db2.gz	ZEHXUBKJDHMUJA-UHFFFAOYSA-N	-1	0	354.318	3.275	40	5		FGBBRM
O=C1NC(=Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000409173075	570735593	/nfs/dbraw/zinc/73/55/93/570735593.db2.gz	IQDQONFPKZYMEB-MDWZMJQESA-N	-1	0	359.725	3.051	40	5		FGBBRM
C[C@@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)[O-]	ZINC000020759034	210235320	/nfs/dbraw/zinc/23/53/20/210235320.db2.gz	CKMPVZQEDXAHJK-LLVKDONJSA-N	-1	0	358.353	3.444	40	5		FGBBRM
COc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)c(C)c1	ZINC000029048500	493812581	/nfs/dbraw/zinc/81/25/81/493812581.db2.gz	UFSSRJWXSNMTKX-UHFFFAOYSA-N	-1	0	366.395	3.030	40	5		FGBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000020140835	211271385	/nfs/dbraw/zinc/27/13/85/211271385.db2.gz	OMCYMYGRGUWJEE-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
O=C1NC(=Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1	ZINC000409064898	499595789	/nfs/dbraw/zinc/59/57/89/499595789.db2.gz	IUYVEEASJHXGCU-NTUHNPAUSA-N	-1	0	359.725	3.051	40	5		FGBBRM
O=C([O-])c1ccc(CNC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000020140512	526367672	/nfs/dbraw/zinc/36/76/72/526367672.db2.gz	ZDEMQFOJJJNSAY-UHFFFAOYSA-N	-1	0	366.329	3.483	40	5		FGBBRM
O=C([O-])[C@H]1CS[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1	ZINC000083236583	494012987	/nfs/dbraw/zinc/01/29/87/494012987.db2.gz	OQJRSCXJZPFHNL-ZWNOBZJWSA-N	-1	0	354.771	3.296	40	5		FGBBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000408586927	499592371	/nfs/dbraw/zinc/59/23/71/499592371.db2.gz	AERFHIDQEKUHKC-UHFFFAOYSA-N	-1	0	356.787	3.366	40	5		FGBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(C)C	ZINC000409326265	570750817	/nfs/dbraw/zinc/75/08/17/570750817.db2.gz	JDWIJFKKAJYHME-ALCCZGGFSA-N	-1	0	361.354	3.152	40	5		FGBBRM
COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c([N+](=O)[O-])c1	ZINC000022259003	211344884	/nfs/dbraw/zinc/34/48/84/211344884.db2.gz	AIXBKQIAVKWORL-UHFFFAOYSA-N	-1	0	372.786	3.066	40	5		FGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(C)C	ZINC000113942589	495338915	/nfs/dbraw/zinc/33/89/15/495338915.db2.gz	QCSDZFZTMQVJJY-UHFFFAOYSA-N	-1	0	350.396	3.491	40	5		FGBBRM
Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])c(Cl)c1	ZINC000408627967	499593334	/nfs/dbraw/zinc/59/33/34/499593334.db2.gz	OUEMQOBNSXWSQB-UHFFFAOYSA-N	-1	0	365.798	3.389	40	5		FGBBRM
Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1Cl	ZINC000408626360	499593402	/nfs/dbraw/zinc/59/34/02/499593402.db2.gz	GSVROVQAVMEUFA-UHFFFAOYSA-N	-1	0	365.798	3.389	40	5		FGBBRM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)c(C)c1C	ZINC000224059015	497046284	/nfs/dbraw/zinc/04/62/84/497046284.db2.gz	VBWOSIZERFKCKC-UHFFFAOYSA-N	-1	0	366.395	3.030	40	5		FGBBRM
CCN1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409102627	499595852	/nfs/dbraw/zinc/59/58/52/499595852.db2.gz	DRYAODJMRCSAFI-WEVVVXLNSA-N	-1	0	373.184	3.119	40	5		FGBBRM
COc1cc(O)cc2c1cc([N+](=O)[O-])c1c(C(=O)[O-])cc3c(c21)OCO3	ZINC000002584240	493811872	/nfs/dbraw/zinc/81/18/72/493811872.db2.gz	PADIFGYTAXNCRK-UHFFFAOYSA-N	-1	0	357.274	3.042	40	5	biogenic,in-vitro	FGBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2ccccc2o1	ZINC000037089036	494101134	/nfs/dbraw/zinc/10/11/34/494101134.db2.gz	YROIWQCYUCLBEW-UHFFFAOYSA-N	-1	0	357.347	3.173	40	5		FGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccccc3Cl)o2)[nH]1	ZINC000033669018	494062138	/nfs/dbraw/zinc/06/21/38/494062138.db2.gz	OYAZBYGIMRKBSA-FNORWQNLSA-N	-1	0	359.725	3.468	40	5		FGBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCN(c2cccc(Cl)c2)CC1	ZINC000326669973	498846680	/nfs/dbraw/zinc/84/66/80/498846680.db2.gz	IVUROROIJZHRLI-UHFFFAOYSA-N	-1	0	361.785	3.273	40	5		FGBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1[O-])c1cccs1	ZINC000003010215	210077319	/nfs/dbraw/zinc/07/73/19/210077319.db2.gz	CMALEWYKZOUKGB-UHFFFAOYSA-N	-1	0	357.800	3.142	40	5		FGBBRM
CCN(CC)c1ccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)cc1	ZINC000059497757	263421471	/nfs/dbraw/zinc/42/14/71/263421471.db2.gz	MKCZEFVAIRHMMY-UHFFFAOYSA-N	-1	0	360.417	3.025	40	5		FGBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C	ZINC000055546101	494358069	/nfs/dbraw/zinc/35/80/69/494358069.db2.gz	LBFQSBPZEVBGHM-UHFFFAOYSA-N	-1	0	366.395	3.030	40	5		FGBBRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000216318803	496988594	/nfs/dbraw/zinc/98/85/94/496988594.db2.gz	XEXLEPRPWYIBQN-UHFFFAOYSA-N	-1	0	356.787	3.199	40	5		FGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1	ZINC000007363478	494017477	/nfs/dbraw/zinc/01/74/77/494017477.db2.gz	KZFFOOBZAHGMLF-UHFFFAOYSA-N	-1	0	350.396	3.491	40	5		FGBBRM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1[O-]	ZINC000023017987	494546299	/nfs/dbraw/zinc/54/62/99/494546299.db2.gz	KHIRZVJYWWHGON-UHFFFAOYSA-N	-1	0	363.178	3.408	40	5		FGBBRM
CC(=O)C(=C([O-])c1ccccc1)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C)[N+](=O)[O-]	ZINC000253382708	497329010	/nfs/dbraw/zinc/32/90/10/497329010.db2.gz	IZUINJRMNCKNSE-IGNZVWTISA-N	-1	0	370.361	3.432	40	5		FGBBRM
COc1ccc(/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000001569578	219411581	/nfs/dbraw/zinc/41/15/81/219411581.db2.gz	KIWCEGVRWYVDQU-ZSOIEALJSA-N	-1	0	359.334	3.246	40	5		FGBBRM
C[C@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)[O-]	ZINC000020759038	220340665	/nfs/dbraw/zinc/34/06/65/220340665.db2.gz	CKMPVZQEDXAHJK-NSHDSACASA-N	-1	0	358.353	3.444	40	5		FGBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1[N+](=O)[O-]	ZINC000055590396	221072462	/nfs/dbraw/zinc/07/24/62/221072462.db2.gz	IKUIOHVHUONOAI-UHFFFAOYSA-N	-1	0	350.396	3.491	40	5		FGBBRM
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)S1	ZINC000222570923	497026042	/nfs/dbraw/zinc/02/60/42/497026042.db2.gz	VZOQWWJUUOLLMP-VFVAKGGASA-N	-1	0	356.407	3.285	40	5		FGBBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C	ZINC000408597742	499592829	/nfs/dbraw/zinc/59/28/29/499592829.db2.gz	XVAKUESPEGQBLF-UHFFFAOYSA-N	-1	0	356.787	3.366	40	5		FGBBRM
COc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000036636274	494094895	/nfs/dbraw/zinc/09/48/95/494094895.db2.gz	CPLGDCOPVSFCFL-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C(=O)[O-])c1O	ZINC000020141095	494467543	/nfs/dbraw/zinc/46/75/43/494467543.db2.gz	ADVUGKDSXIISEB-UHFFFAOYSA-N	-1	0	350.714	3.213	40	5		FGBBRM
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc([O-])c([N+](=O)[O-])c2)S1	ZINC000260784359	497406370	/nfs/dbraw/zinc/40/63/70/497406370.db2.gz	VZOQWWJUUOLLMP-UHNFBRDESA-N	-1	0	356.407	3.285	40	5		FGBBRM
O=C([O-])c1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000000778022	219319159	/nfs/dbraw/zinc/31/91/59/219319159.db2.gz	KGRZQQGKQZQCIV-UHFFFAOYSA-N	-1	0	365.139	3.308	40	5		FGBBRM
O=C([O-])c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1O	ZINC000016430961	220184387	/nfs/dbraw/zinc/18/43/87/220184387.db2.gz	CMDOYJIWOMHTOX-UHFFFAOYSA-N	-1	0	370.277	3.199	40	5		FGBBRM
O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1O	ZINC000020145093	220316495	/nfs/dbraw/zinc/31/64/95/220316495.db2.gz	FLMNIWNQMZYNEB-QHHAFSJGSA-N	-1	0	362.725	3.304	40	5		FGBBRM
O=C([O-])c1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000004536575	493881548	/nfs/dbraw/zinc/88/15/48/493881548.db2.gz	CPWCYMZNRSKMGO-UHFFFAOYSA-N	-1	0	365.685	3.107	40	5		FGBBRM
Cc1ccc(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)cc1[N+](=O)[O-]	ZINC000223168095	497033314	/nfs/dbraw/zinc/03/33/14/497033314.db2.gz	BVDABKOGXVIZDP-UHFFFAOYSA-N	-1	0	374.469	3.056	40	5		FGBBRM
O=C1N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl	ZINC000408963130	570578724	/nfs/dbraw/zinc/57/87/24/570578724.db2.gz	MWCDTSKVNDYPSN-QPEQYQDCSA-N	-1	0	373.752	3.047	40	5		FGBBRM
COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000022259067	220380870	/nfs/dbraw/zinc/38/08/70/220380870.db2.gz	JBNUSOCCWDRLKQ-UHFFFAOYSA-N	-1	0	372.786	3.066	40	5		FGBBRM
O=C([O-])[C@H]1CS[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1	ZINC000083236586	494012865	/nfs/dbraw/zinc/01/28/65/494012865.db2.gz	OQJRSCXJZPFHNL-MFKMUULPSA-N	-1	0	354.771	3.296	40	5		FGBBRM
CCCSc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1	ZINC000223725669	497042146	/nfs/dbraw/zinc/04/21/46/497042146.db2.gz	XNMWFAPPPOWIFT-UHFFFAOYSA-N	-1	0	374.469	3.058	40	5		FGBBRM
COc1cc([C@H](Nc2cccc([N+](=O)[O-])c2)SCC(=O)[O-])ccc1O	ZINC000016758486	220193938	/nfs/dbraw/zinc/19/39/38/220193938.db2.gz	NQKJXSMOLNXSOH-MRXNPFEDSA-N	-1	0	364.379	3.238	40	5		FGBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000020142953	220316266	/nfs/dbraw/zinc/31/62/66/220316266.db2.gz	FFSDRYPJHLILOV-UHFFFAOYSA-N	-1	0	369.377	3.454	40	5		FGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccccc3)cc2)[nH]1	ZINC000033406367	494059627	/nfs/dbraw/zinc/05/96/27/494059627.db2.gz	PXJPJGWBKXPMPQ-FLIBITNWSA-N	-1	0	365.345	3.133	40	5		FGBBRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000216936021	496993431	/nfs/dbraw/zinc/99/34/31/496993431.db2.gz	FIRMWMREJQOJMN-UHFFFAOYSA-N	-1	0	354.318	3.275	40	5		FGBBRM
CCCN(CC)C(=O)c1cnc2c(ccc3c(=O)c([N+](=O)[O-])c[n-]c32)c1	ZINC000034033372	494065441	/nfs/dbraw/zinc/06/54/41/494065441.db2.gz	XUARBCHSPWMKRC-UHFFFAOYSA-N	-1	0	354.366	3.269	40	5		FGBBRM
C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)S1	ZINC000222570989	497025920	/nfs/dbraw/zinc/02/59/20/497025920.db2.gz	VZOQWWJUUOLLMP-HNHYXYPQSA-N	-1	0	356.407	3.285	40	5		FGBBRM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1	ZINC000083236581	205104152	/nfs/dbraw/zinc/10/41/52/205104152.db2.gz	OQJRSCXJZPFHNL-GWCFXTLKSA-N	-1	0	354.771	3.296	40	5		FGBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000020141046	206329839	/nfs/dbraw/zinc/32/98/39/206329839.db2.gz	XHTWBASJWMJMHC-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
O=C([O-])[C@@H]1CS[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1	ZINC000083236580	205104425	/nfs/dbraw/zinc/10/44/25/205104425.db2.gz	OQJRSCXJZPFHNL-GXFFZTMASA-N	-1	0	354.771	3.296	40	5		FGBBRM
COc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000020142481	206330577	/nfs/dbraw/zinc/33/05/77/206330577.db2.gz	BUEMFFZQVPXRQP-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1	ZINC000035263721	263397593	/nfs/dbraw/zinc/39/75/93/263397593.db2.gz	PXYOHFPAPLUMJZ-UHFFFAOYSA-N	-1	0	351.771	3.081	40	5		FGBBRM
Cc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1Cl	ZINC000013053769	494277534	/nfs/dbraw/zinc/27/75/34/494277534.db2.gz	LFFUCBANFKIYJV-UHFFFAOYSA-N	-1	0	364.741	3.272	40	5		FGBBRM
CCOc1ccc2ccccc2c1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000033458628	494060337	/nfs/dbraw/zinc/06/03/37/494060337.db2.gz	QDHSEVDEAMFYJN-HJWRWDBZSA-N	-1	0	353.334	3.106	40	5		FGBBRM
O=Cc1ccc(N2CCC(C(=O)[O-])(c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000408547160	499591976	/nfs/dbraw/zinc/59/19/76/499591976.db2.gz	SKENBDJBUDOZNT-UHFFFAOYSA-N	-1	0	354.362	3.030	40	5		FGBBRM
O=C([O-])c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000020142732	494467297	/nfs/dbraw/zinc/46/72/97/494467297.db2.gz	HAPJXOSDFYXIED-UHFFFAOYSA-N	-1	0	355.350	3.146	40	5		FGBBRM
Cc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-]	ZINC000006613990	493970458	/nfs/dbraw/zinc/97/04/58/493970458.db2.gz	OIUBSDNTGONELZ-UHFFFAOYSA-N	-1	0	373.390	3.037	40	5		FGBBRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000016101416	494377000	/nfs/dbraw/zinc/37/70/00/494377000.db2.gz	XUHDRRZYPPXACI-UHFFFAOYSA-N	-1	0	356.787	3.366	40	5		FGBBRM
CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000409064098	570717937	/nfs/dbraw/zinc/71/79/37/570717937.db2.gz	GEHMBICGSMHBSN-RUDMXATFSA-N	-1	0	373.184	3.119	40	5		FGBBRM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Br)c1	ZINC000409377370	570755108	/nfs/dbraw/zinc/75/51/08/570755108.db2.gz	HSKGKTQNIKCMJC-UHFFFAOYSA-N	-1	0	365.139	3.308	40	5		FGBBRM
Cc1cc([N+](=O)[O-])c(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006418757	207139297	/nfs/dbraw/zinc/13/92/97/207139297.db2.gz	TZSUSCIHEDXKKL-UHFFFAOYSA-N	-1	0	371.758	3.266	40	5		FGBBRM
O=C([O-])c1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cccc1[N+](=O)[O-]	ZINC000006828674	207170060	/nfs/dbraw/zinc/17/00/60/207170060.db2.gz	WJCSZGUCVXFKDS-UHFFFAOYSA-N	-1	0	365.685	3.107	40	5		FGBBRM
CC(=O)C(=C([O-])c1ccccc1)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C)[N+](=O)[O-]	ZINC000101403492	495068512	/nfs/dbraw/zinc/06/85/12/495068512.db2.gz	IZUINJRMNCKNSE-OCBCSQNSSA-N	-1	0	370.361	3.432	40	5		FGBBRM
CC(=O)C(=C([O-])c1ccccc1)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C)[N+](=O)[O-]	ZINC000222036666	497021290	/nfs/dbraw/zinc/02/12/90/497021290.db2.gz	IZUINJRMNCKNSE-UUWFMWQGSA-N	-1	0	370.361	3.432	40	5		FGBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(Cl)cc2)CC1	ZINC000392287616	499558458	/nfs/dbraw/zinc/55/84/58/499558458.db2.gz	YLODPVSWKZTWEE-UHFFFAOYSA-N	-1	0	361.785	3.273	40	5		FGBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005897341	493945577	/nfs/dbraw/zinc/94/55/77/493945577.db2.gz	ZBMKVRCEZBHQDH-UHFFFAOYSA-N	-1	0	373.390	3.037	40	5		FGBBRM
CC(=O)C(=C([O-])c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](C)[N+](=O)[O-]	ZINC000101403493	495068539	/nfs/dbraw/zinc/06/85/39/495068539.db2.gz	IZUINJRMNCKNSE-JBBXEZCESA-N	-1	0	370.361	3.432	40	5		FGBBRM
CC(=O)C(=C([O-])c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](C)[N+](=O)[O-]	ZINC000253382709	497329663	/nfs/dbraw/zinc/32/96/63/497329663.db2.gz	IZUINJRMNCKNSE-RZAIGCCYSA-N	-1	0	370.361	3.432	40	5		FGBBRM
O=C([O-])c1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O	ZINC000020145094	494467588	/nfs/dbraw/zinc/46/75/88/494467588.db2.gz	ZCEVLJGENGUQPI-QHHAFSJGSA-N	-1	0	362.725	3.304	40	5		FGBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl	ZINC000035263574	263397804	/nfs/dbraw/zinc/39/78/04/263397804.db2.gz	AVQSSBNQXGWABG-UHFFFAOYSA-N	-1	0	351.771	3.081	40	5		FGBBRM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1	ZINC000223257796	497034016	/nfs/dbraw/zinc/03/40/16/497034016.db2.gz	GUQIOGWNRKQZLN-UHFFFAOYSA-N	-1	0	356.787	3.448	40	5		FGBBRM
O=C(Oc1ccc(C=C2SC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000214315603	571318674	/nfs/dbraw/zinc/31/86/74/571318674.db2.gz	SBZRXSMRXWJMLA-NTEUORMPSA-N	-1	0	370.342	3.138	40	5		FGBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000022259055	211344053	/nfs/dbraw/zinc/34/40/53/211344053.db2.gz	FTOYDUCOZUFDGK-UHFFFAOYSA-N	-1	0	372.786	3.066	40	5		FGBBRM
COc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl	ZINC000014255947	211089708	/nfs/dbraw/zinc/08/97/08/211089708.db2.gz	AASRMNUAWPYWLF-UHFFFAOYSA-N	-1	0	372.786	3.066	40	5		FGBBRM
COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000020142487	220316173	/nfs/dbraw/zinc/31/61/73/220316173.db2.gz	FZCATUKSZCLOOS-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1	ZINC000037385720	527367254	/nfs/dbraw/zinc/36/72/54/527367254.db2.gz	NNIYOZPIULYNSM-UHFFFAOYSA-N	-1	0	357.185	3.158	40	5		FGBBRM
CCCSc1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	ZINC000222536663	571143444	/nfs/dbraw/zinc/14/34/44/571143444.db2.gz	QTNYAQVDDBYKFL-UHFFFAOYSA-N	-1	0	374.469	3.058	40	5		FGBBRM
O=C([O-])c1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000020142717	211269958	/nfs/dbraw/zinc/26/99/58/211269958.db2.gz	IYVQCBFHSCWTPQ-UHFFFAOYSA-N	-1	0	355.350	3.146	40	5		FGBBRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000019594111	211239367	/nfs/dbraw/zinc/23/93/67/211239367.db2.gz	ZRAUQRPUZCCTTL-CFINBHSISA-N	-1	0	371.418	3.462	40	5		FGBBRM
O=C([O-])c1ccc(CNC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000013166342	211025727	/nfs/dbraw/zinc/02/57/27/211025727.db2.gz	CXDFNHWTRRYUQQ-XBXARRHUSA-N	-1	0	360.753	3.276	40	5		FGBBRM
O=C1Nc2ccccc2S/C1=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000409092491	263525218	/nfs/dbraw/zinc/52/52/18/263525218.db2.gz	ZBGXVGKGYDSBDM-MLPAPPSSSA-N	-1	0	359.319	3.294	40	5		FGBBRM
CCCCn1c(=O)c2c([O-])c(Br)c(=O)oc2c2ccccc21	ZINC000019419144	494445011	/nfs/dbraw/zinc/44/50/11/494445011.db2.gz	NBCSAGHMGMQKTM-UHFFFAOYSA-N	-1	0	364.195	3.376	40	5		FGBBRM
O=C([O-])C1(c2ccccc2)CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000408547320	499591916	/nfs/dbraw/zinc/59/19/16/499591916.db2.gz	IKLSVBFLHRHXJW-UHFFFAOYSA-N	-1	0	371.349	3.126	40	5		FGBBRM
O=C1N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000408963489	570704128	/nfs/dbraw/zinc/70/41/28/570704128.db2.gz	OAYOOCVYMGIBNB-QPEQYQDCSA-N	-1	0	373.752	3.047	40	5		FGBBRM
O=C1N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)N1Cc1ccccc1	ZINC000409243222	570746321	/nfs/dbraw/zinc/74/63/21/570746321.db2.gz	QRLDRQMSGSCPMZ-NTUHNPAUSA-N	-1	0	373.752	3.047	40	5		FGBBRM
O=C(Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000001669794	210365717	/nfs/dbraw/zinc/36/57/17/210365717.db2.gz	BRBUBRBCLNWRHU-UHFFFAOYSA-N	-1	0	372.358	3.247	40	5		FGBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1	ZINC000007056707	493998501	/nfs/dbraw/zinc/99/85/01/493998501.db2.gz	VATFMDQRNXYMSS-UHFFFAOYSA-N	-1	0	361.423	3.386	40	5		FGBBRM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000222244529	497022242	/nfs/dbraw/zinc/02/22/42/497022242.db2.gz	PEOHBSSDDBSWLW-YIFBXAAPSA-N	-1	0	374.393	3.235	40	5		FGBBRM
C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)S1	ZINC000222571050	497026065	/nfs/dbraw/zinc/02/60/65/497026065.db2.gz	VZOQWWJUUOLLMP-GTTSAUCSSA-N	-1	0	356.407	3.285	40	5		FGBBRM
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000409093409	570581697	/nfs/dbraw/zinc/58/16/97/570581697.db2.gz	ZUBFSYILNCTLLS-UVTDQMKNSA-N	-1	0	361.423	3.033	40	5		FGBBRM
O=c1[nH]c(C=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000409343648	570751757	/nfs/dbraw/zinc/75/17/57/570751757.db2.gz	HZFWDZBJZLIGJC-OWOJBTEDSA-N	-1	0	373.108	3.181	40	5		FGBBRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000019594113	211239398	/nfs/dbraw/zinc/23/93/98/211239398.db2.gz	ZRAUQRPUZCCTTL-FJJYYWMZSA-N	-1	0	371.418	3.462	40	5		FGBBRM
O=Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)[O-])(c2ccccc2)CC1	ZINC000408546860	499591903	/nfs/dbraw/zinc/59/19/03/499591903.db2.gz	OMBCQBGDPNBSQR-UHFFFAOYSA-N	-1	0	354.362	3.030	40	5		FGBBRM
O=C([O-])Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000020142738	211270858	/nfs/dbraw/zinc/27/08/58/211270858.db2.gz	LDPRRHZNWADKIV-UHFFFAOYSA-N	-1	0	369.377	3.074	40	5		FGBBRM
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1	ZINC000086170807	494142867	/nfs/dbraw/zinc/14/28/67/494142867.db2.gz	BVDVTHMDPHNDSQ-UHFFFAOYSA-N	-1	0	358.379	3.094	40	5		FGBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1[O-]	ZINC000409022522	570713860	/nfs/dbraw/zinc/71/38/60/570713860.db2.gz	RFYSENVCXUINPH-WUXMJOGZSA-N	-1	0	352.368	3.144	40	5		FGBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000020140876	211270028	/nfs/dbraw/zinc/27/00/28/211270028.db2.gz	WODPSYFZJDRXFM-UHFFFAOYSA-N	-1	0	350.714	3.207	40	5		FGBBRM
O=C1NC(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)N1c1cccc(Cl)c1	ZINC000409071383	499595843	/nfs/dbraw/zinc/59/58/43/499595843.db2.gz	NZRNJLXKHFCZIT-NTUHNPAUSA-N	-1	0	359.725	3.051	40	5		FGBBRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nc2ccccc2[nH]1	ZINC000016525106	220186968	/nfs/dbraw/zinc/18/69/68/220186968.db2.gz	KZBBQGJIMQOJEW-UHFFFAOYSA-N	-1	0	360.307	3.229	40	5		FGBBRM
O=C([O-])Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1	ZINC000020142962	220316435	/nfs/dbraw/zinc/31/64/35/220316435.db2.gz	TUFSPWKOILZXLG-UHFFFAOYSA-N	-1	0	369.377	3.074	40	5		FGBBRM
O=C1NC(=O)C(=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])S1	ZINC000059417910	221126302	/nfs/dbraw/zinc/12/63/02/221126302.db2.gz	SDIMPJUJDYDVAU-NTEUORMPSA-N	-1	0	356.359	3.215	40	5		FGBBRM
Cc1ccc2nc(NC(=O)c3c(C(=O)[O-])cccc3[N+](=O)[O-])sc2c1	ZINC000004950411	493903618	/nfs/dbraw/zinc/90/36/18/493903618.db2.gz	AYQFSWJKSJLUST-UHFFFAOYSA-N	-1	0	357.347	3.463	40	5		FGBBRM
COc1ccc([N-]C(=S)Sc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1	ZINC000006398329	493961997	/nfs/dbraw/zinc/96/19/97/493961997.db2.gz	PCBZPSVLKVNLCT-UHFFFAOYSA-N	-1	0	363.420	3.191	40	5		FGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(SC(C)C)s1	ZINC000224201087	497048774	/nfs/dbraw/zinc/04/87/74/497048774.db2.gz	XRGMMKQNUYVYIY-UHFFFAOYSA-N	-1	0	374.469	3.056	40	5		FGBBRM
C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc([O-])c([N+](=O)[O-])c2)S1	ZINC000260784352	497406270	/nfs/dbraw/zinc/40/62/70/497406270.db2.gz	VZOQWWJUUOLLMP-HPEXNQPKSA-N	-1	0	356.407	3.285	40	5		FGBBRM
O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1	ZINC000020142950	220316233	/nfs/dbraw/zinc/31/62/33/220316233.db2.gz	MFTRXOABXADKKP-UHFFFAOYSA-N	-1	0	355.350	3.146	40	5		FGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]1	ZINC000409335328	570751603	/nfs/dbraw/zinc/75/16/03/570751603.db2.gz	VJZJROFVJVVXIH-ALCCZGGFSA-N	-1	0	370.277	3.135	40	5		FGBBRM
COc1cc([N+](=O)[O-])cc2sc([N-]S(=O)(=O)c3ccccc3)nc21	ZINC000010010611	539510619	/nfs/dbraw/zinc/51/06/19/539510619.db2.gz	FQTOUTKOLNRZFB-UHFFFAOYSA-N	-1	0	365.392	3.014	40	5		FGBBRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1	ZINC000054585051	136125676	/nfs/dbraw/zinc/12/56/76/136125676.db2.gz	RLQCUYWHJJGCEE-UHFFFAOYSA-N	-1	0	361.423	3.386	40	5		FGBBRM
O=c1nc2n(-c3ccc(N4CCCCC4)cc3)c3ccccc3cc-2c(=O)[n-]1	ZINC000005590248	493936444	/nfs/dbraw/zinc/93/64/44/493936444.db2.gz	BYBNAYQJYQTONH-UHFFFAOYSA-N	-1	0	372.428	3.169	40	5		FGBBRM
O=C(Oc1cccc(C=C2SC(=O)NC2=O)c1)c1ccc([N+](=O)[O-])cc1	ZINC000214315659	571318666	/nfs/dbraw/zinc/31/86/66/571318666.db2.gz	MPLLZBGJOYFDNA-NTEUORMPSA-N	-1	0	370.342	3.138	40	5		FGBBRM
COc1cc([C@@H](Nc2cccc([N+](=O)[O-])c2)SCC(=O)[O-])ccc1O	ZINC000016758483	220193498	/nfs/dbraw/zinc/19/34/98/220193498.db2.gz	NQKJXSMOLNXSOH-INIZCTEOSA-N	-1	0	364.379	3.238	40	5		FGBBRM
Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000020142730	220315985	/nfs/dbraw/zinc/31/59/85/220315985.db2.gz	XMLAJCWGWJDIFB-UHFFFAOYSA-N	-1	0	369.377	3.454	40	5		FGBBRM
CCOc1ccc(NC(=S)NC(=O)C=Cc2ccco2)c([N+](=O)[O-])c1	ZINC000005004086	263337409	/nfs/dbraw/zinc/33/74/09/263337409.db2.gz	IFCNZIDUSLSLDF-SOFGYWHQSA-N	-1	0	361.379	3.113	40	5		FGBBRM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000408557852	263470447	/nfs/dbraw/zinc/47/04/47/263470447.db2.gz	OGUGOLKTHHRYOB-UHFFFAOYSA-N	-1	0	356.787	3.448	40	5		FGBBRM
O=C1NC(=Cc2cccc([N+](=O)[O-])c2[O-])C(=O)N1c1cccc(Cl)c1	ZINC000409066033	499595840	/nfs/dbraw/zinc/59/58/40/499595840.db2.gz	JUCGLNKHKLEYMY-KPKJPENVSA-N	-1	0	359.725	3.051	40	5		FGBBRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nc2ccccc2o1	ZINC000016545287	220186183	/nfs/dbraw/zinc/18/61/83/220186183.db2.gz	KDGDORYPNVEJQP-UHFFFAOYSA-N	-1	0	361.291	3.494	40	5		FGBBRM
COCCCN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409233776	570744457	/nfs/dbraw/zinc/74/44/57/570744457.db2.gz	XCLKMJUYDPZOAB-IZZDOVSWSA-N	-1	0	372.786	3.027	40	5		FGBBRM