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](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000005092528	204191760	/nfs/dbraw/zinc/19/17/60/204191760.db2.gz	DBCBYQRTPCDLER-QQMDNXKGSA-N	-1	0	373.321	1.548	50	5		FDBARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003187664	204080798	/nfs/dbraw/zinc/08/07/98/204080798.db2.gz	HMPNOOCHYKCCQH-AWEZNQCLSA-N	-1	0	359.294	1.929	50	5		FDBARM
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000006623499	204256822	/nfs/dbraw/zinc/25/68/22/204256822.db2.gz	CDPQBQNKRCUUHQ-UHFFFAOYSA-N	-1	0	356.381	1.799	50	5		FDBARM
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000095444506	525069849	/nfs/dbraw/zinc/06/98/49/525069849.db2.gz	VTGRBAPWGLHLDL-GFCCVEGCSA-N	-1	0	357.388	1.443	50	5		FDBARM
COC(=O)[C@H](CCSC)Nc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016134154	670638869	/nfs/dbraw/zinc/63/88/69/670638869.db2.gz	INCFGGQHLCJJMN-QMMMGPOBSA-N	-1	0	373.343	1.908	50	5		FDBARM
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000004270535	204129494	/nfs/dbraw/zinc/12/94/94/204129494.db2.gz	QFCLZVNXPAXMAY-UHFFFAOYSA-N	-1	0	356.381	1.799	50	5		FDBARM
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1	ZINC000004270534	204129812	/nfs/dbraw/zinc/12/98/12/204129812.db2.gz	GZHGCKQPKUWXHH-UHFFFAOYSA-N	-1	0	356.381	1.799	50	5		FDBARM
COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000036180228	205007034	/nfs/dbraw/zinc/00/70/34/205007034.db2.gz	JVBKBXDFLJSEDK-BJMVGYQFSA-N	-1	0	368.323	1.518	50	5		FDBARM
COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000036229322	205009461	/nfs/dbraw/zinc/00/94/61/205009461.db2.gz	PGWFUBSWGAQANV-LBPRGKRZSA-N	-1	0	351.315	1.452	50	5		FDBARM
CC(C)C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000041157894	205090067	/nfs/dbraw/zinc/09/00/67/205090067.db2.gz	MMTFGJFXCGKQIT-ZDUSSCGKSA-N	-1	0	351.359	1.330	50	5		FDBARM
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[nH][nH]c2C[C@@]1(C)O	ZINC000195473111	206331785	/nfs/dbraw/zinc/33/17/85/206331785.db2.gz	PGLOJNOMLZJZLP-VWPFQQQWSA-N	-1	0	361.354	1.114	50	5		FDBARM
CNC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1	ZINC000009338408	518502822	/nfs/dbraw/zinc/50/28/22/518502822.db2.gz	JQUWRAFSGPKBLT-UHFFFAOYSA-N	-1	0	365.367	1.764	50	5		FDBARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004052484	132386255	/nfs/dbraw/zinc/38/62/55/132386255.db2.gz	XWNITNJXNUOIMR-CVEARBPZSA-N	-1	0	359.382	1.910	50	5		FDBARM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)ccc1[O-]	ZINC000026539639	519127397	/nfs/dbraw/zinc/12/73/97/519127397.db2.gz	LAJZVJPEHHWSAG-UHFFFAOYSA-N	-1	0	361.339	1.682	50	5		FDBARM
CCN(CC)S(=O)(=O)c1ccc(-n2[n-]c(C)cc2=O)c([N+](=O)[O-])c1	ZINC000102231241	570829028	/nfs/dbraw/zinc/82/90/28/570829028.db2.gz	MBQJTUONZMVBJW-UHFFFAOYSA-N	-1	0	354.388	1.825	50	5		FDBARM
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036022142	205000185	/nfs/dbraw/zinc/00/01/85/205000185.db2.gz	XGCNLPUTJYWKEF-ZDUSSCGKSA-N	-1	0	351.315	1.118	50	5		FDBARM
CC(=O)[C@@H]1[C@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F	ZINC000057531213	205243317	/nfs/dbraw/zinc/24/33/17/205243317.db2.gz	NOUGBGSAULFXJN-JFGNBEQYSA-N	-1	0	363.248	1.110	50	5		FDBARM
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1Br	ZINC000013574909	518662779	/nfs/dbraw/zinc/66/27/79/518662779.db2.gz	POTVOLOHYPSKQW-DUXPYHPUSA-N	-1	0	368.143	1.913	50	5		FDBARM
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035900079	519613101	/nfs/dbraw/zinc/61/31/01/519613101.db2.gz	FFYHNMNKZRAJPY-UHFFFAOYSA-N	-1	0	355.306	1.925	50	5		FDBARM
O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1[N-]c1ccccc1	ZINC000004822004	204166505	/nfs/dbraw/zinc/16/65/05/204166505.db2.gz	FXHJIMQXQWJNSM-UHFFFAOYSA-N	-1	0	355.310	1.929	50	5	aggregator	FDBARM
CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035961611	519613235	/nfs/dbraw/zinc/61/32/35/519613235.db2.gz	RYAGVQAPTVCCBA-CYBMUJFWSA-N	-1	0	365.342	1.890	50	5		FDBARM
CC(C)(C)OC(=O)N1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000169725760	534840237	/nfs/dbraw/zinc/84/02/37/534840237.db2.gz	HIYCKKNLLDLWPP-NSHDSACASA-N	-1	0	352.347	1.500	50	5		FDBARM
C[C@]1(C(=O)[O-])CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000262113570	602031412	/nfs/dbraw/zinc/03/14/12/602031412.db2.gz	FNQDHIBLGZCGCY-HNNXBMFYSA-N	-1	0	367.383	1.109	50	5		FDBARM
COc1cc([C@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)cc([N+](=O)[O-])c1[O-]	ZINC000020086521	518843798	/nfs/dbraw/zinc/84/37/98/518843798.db2.gz	KMIXOKHADKEWIE-LBPRGKRZSA-N	-1	0	358.310	1.709	50	5		FDBARM
COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036022143	519613710	/nfs/dbraw/zinc/61/37/10/519613710.db2.gz	XGCNLPUTJYWKEF-CYBMUJFWSA-N	-1	0	351.315	1.118	50	5		FDBARM
CC(C)(C)OC(=O)N1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000169725772	534840145	/nfs/dbraw/zinc/84/01/45/534840145.db2.gz	FDVVNOJZILGVLF-NSHDSACASA-N	-1	0	352.347	1.500	50	5		FDBARM
O=C([O-])CNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000001834854	204020825	/nfs/dbraw/zinc/02/08/25/204020825.db2.gz	FMTZNSFHEQQSKN-XNTDXEJSSA-N	-1	0	369.333	1.567	50	5		FDBARM
C[C@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000005092524	204191669	/nfs/dbraw/zinc/19/16/69/204191669.db2.gz	DBCBYQRTPCDLER-YWEFTTLKSA-N	-1	0	373.321	1.548	50	5		FDBARM
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000036042410	205002446	/nfs/dbraw/zinc/00/24/46/205002446.db2.gz	LDLRZDOGUJMHHZ-ZDUSSCGKSA-N	-1	0	365.342	1.890	50	5		FDBARM
O=C([O-])CS(=O)(=O)c1ccc([S@@](=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004387569	206175188	/nfs/dbraw/zinc/17/51/88/206175188.db2.gz	MKTMLJJYKOKXHV-NRFANRHFSA-N	-1	0	361.275	1.081	50	5		FDBARM
Nc1nc(N2CC(=O)C(CCc3ccccc3)=C([O-])C2)ncc1[N+](=O)[O-]	ZINC000062022634	136132741	/nfs/dbraw/zinc/13/27/41/136132741.db2.gz	LVJPBHMKLGVJQW-UHFFFAOYSA-N	-1	0	355.354	1.174	50	5		FDBARM
Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(=O)[O-])n1-c1ccccc1	ZINC000012427691	518612583	/nfs/dbraw/zinc/61/25/83/518612583.db2.gz	YGXIGYGSDQLDRB-UHFFFAOYSA-N	-1	0	374.382	1.905	50	5		FDBARM
Cc1cc([N+](=O)[O-])c([N-]CC(C)([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]	ZINC000033354444	519587195	/nfs/dbraw/zinc/58/71/95/519587195.db2.gz	KPHRUIADSSDCFH-UHFFFAOYSA-N	-1	0	374.222	1.401	50	5		FDBARM
Cn1c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)n(C)c1=S	ZINC000101494855	525220931	/nfs/dbraw/zinc/22/09/31/525220931.db2.gz	GYJDOTZFGZTTRA-SNVBAGLBSA-N	-1	0	361.383	1.506	50	5		FDBARM
C[C@@H](C(=O)[O-])N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000016322432	518748759	/nfs/dbraw/zinc/74/87/59/518748759.db2.gz	ZOJJLYPUPRRRRG-LURJTMIESA-N	-1	0	359.250	1.725	50	5		FDBARM
COCCCn1c(=O)[nH]nc1Sc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000024528765	518996721	/nfs/dbraw/zinc/99/67/21/518996721.db2.gz	KGRDYLVEQFXWLY-UHFFFAOYSA-N	-1	0	354.344	1.778	50	5		FDBARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003187666	518259358	/nfs/dbraw/zinc/25/93/58/518259358.db2.gz	HMPNOOCHYKCCQH-CQSZACIVSA-N	-1	0	359.294	1.929	50	5		FDBARM
O=C(NC[C@@H](O)COc1ccc(F)cc1)c1ccc([O-])cc1[N+](=O)[O-]	ZINC000170595811	525637621	/nfs/dbraw/zinc/63/76/21/525637621.db2.gz	NJVGEPZANVCTLZ-GFCCVEGCSA-N	-1	0	350.302	1.609	50	5		FDBARM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000036180249	208148972	/nfs/dbraw/zinc/14/89/72/208148972.db2.gz	GFJWIPGRJIVHFX-PKTIUJEHSA-N	-1	0	352.324	1.898	50	5		FDBARM
Cc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c2=O	ZINC000020177850	220317435	/nfs/dbraw/zinc/31/74/35/220317435.db2.gz	RSFPSQMGKWMHEY-UHFFFAOYSA-N	-1	0	364.343	1.156	50	5		FDBARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009510191	518508657	/nfs/dbraw/zinc/50/86/57/518508657.db2.gz	XVIVIDNZHKQOCG-UHFFFAOYSA-N	-1	0	357.369	1.043	50	5		FDBARM
CCOC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000013546613	518660969	/nfs/dbraw/zinc/66/09/69/518660969.db2.gz	RYJPTMBHRBJJPC-WDZFZDKYSA-N	-1	0	352.324	1.900	50	5		FDBARM
CC(C)(C)OC(=O)N[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000015722147	518731602	/nfs/dbraw/zinc/73/16/02/518731602.db2.gz	XKHQTCSLBRZQAC-JTQLQIEISA-N	-1	0	370.318	1.893	50	5		FDBARM
CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2=O	ZINC000018038851	518790906	/nfs/dbraw/zinc/79/09/06/518790906.db2.gz	XSVCJWMRMRSBBD-UHFFFAOYSA-N	-1	0	362.342	1.446	50	5		FDBARM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc([N+](=O)[O-])c1[O-]	ZINC000019799943	518838135	/nfs/dbraw/zinc/83/81/35/518838135.db2.gz	FNYUMAFGASWOHR-LBPRGKRZSA-N	-1	0	351.315	1.500	50	5		FDBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCO)cc1	ZINC000048286088	209329916	/nfs/dbraw/zinc/32/99/16/209329916.db2.gz	YGJNZTRQLRWJFM-UHFFFAOYSA-N	-1	0	356.331	1.906	50	5		FDBARM
CCOC(=O)Cc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000002315322	518239992	/nfs/dbraw/zinc/23/99/92/518239992.db2.gz	UWYFMDJTWUHYCH-UHFFFAOYSA-N	-1	0	371.396	1.958	50	5		FDBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c([N+](=O)[O-])c1	ZINC000022473553	518901926	/nfs/dbraw/zinc/90/19/26/518901926.db2.gz	VNBOQUYVDDOPBN-UHFFFAOYSA-N	-1	0	351.340	1.503	50	5		FDBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1NC[C@H]([C@@H]1CCOC1)N1CCOCC1	ZINC000025044541	519032992	/nfs/dbraw/zinc/03/29/92/519032992.db2.gz	IWSSAJQYBBBPHF-MLGOLLRUSA-N	-1	0	365.386	1.442	50	5		FDBARM
C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000027551419	519183317	/nfs/dbraw/zinc/18/33/17/519183317.db2.gz	QOHCJPKSLFMBAN-AHEVQNHNSA-N	-1	0	373.321	1.548	50	5		FDBARM
CC(=O)N[C@@H](CS[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000002667968	209397407	/nfs/dbraw/zinc/39/74/07/209397407.db2.gz	MXLWGGRCQUQVFM-GXFFZTMASA-N	-1	0	356.356	1.056	50	5		FDBARM
C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002948505	206947635	/nfs/dbraw/zinc/94/76/35/206947635.db2.gz	HGYAMJBKPQSFID-AVMBBCFPSA-N	-1	0	373.321	1.548	50	5		FDBARM
Cc1nn(CC(=O)Nc2cnn(CCCC(=O)[O-])c2)c(C)c1[N+](=O)[O-]	ZINC000012372171	207365114	/nfs/dbraw/zinc/36/51/14/207365114.db2.gz	UZSHSOCKOUEQKP-UHFFFAOYSA-N	-1	0	350.335	1.108	50	5		FDBARM
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C(=O)[O-]	ZINC000169725769	534839372	/nfs/dbraw/zinc/83/93/72/534839372.db2.gz	VWRHJYXOPCWYJO-NSHDSACASA-N	-1	0	352.347	1.500	50	5		FDBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]NC(=S)NCc2ccco2)cc1	ZINC000002858203	518253359	/nfs/dbraw/zinc/25/33/59/518253359.db2.gz	CLGUUVYZLUEPAQ-UHFFFAOYSA-N	-1	0	356.385	1.045	50	5		FDBARM
Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008399795	518474828	/nfs/dbraw/zinc/47/48/28/518474828.db2.gz	QFTARUFYIGJZGX-UHFFFAOYSA-N	-1	0	371.396	1.351	50	5		FDBARM
NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000009510187	518508540	/nfs/dbraw/zinc/50/85/40/518508540.db2.gz	HFPZGEUCEHAZOW-UHFFFAOYSA-N	-1	0	357.369	1.043	50	5		FDBARM
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000036144753	208149748	/nfs/dbraw/zinc/14/97/48/208149748.db2.gz	HNDVCKWGZHHLID-GFCCVEGCSA-N	-1	0	351.315	1.500	50	5		FDBARM
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000000951797	518224099	/nfs/dbraw/zinc/22/40/99/518224099.db2.gz	FZZPZBPYHYQDSE-LBPRGKRZSA-N	-1	0	372.337	1.366	50	5		FDBARM
O=C([O-])CNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	ZINC000002271220	518240374	/nfs/dbraw/zinc/24/03/74/518240374.db2.gz	DNAOREXTJBCPCP-XYOKQWHBSA-N	-1	0	359.294	1.160	50	5		FDBARM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]n2c(C)nc3sc(C)cc3c2=O)n1	ZINC000002780456	518249010	/nfs/dbraw/zinc/24/90/10/518249010.db2.gz	YKZMIKJAYAOWFM-UHFFFAOYSA-N	-1	0	362.371	1.583	50	5		FDBARM
COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000008834629	518488293	/nfs/dbraw/zinc/48/82/93/518488293.db2.gz	GXXDTRSURHZDCI-SECBINFHSA-N	-1	0	364.401	1.088	50	5		FDBARM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc([N+](=O)[O-])c1[O-]	ZINC000019799944	518838397	/nfs/dbraw/zinc/83/83/97/518838397.db2.gz	FNYUMAFGASWOHR-GFCCVEGCSA-N	-1	0	351.315	1.500	50	5		FDBARM
O=C([O-])CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000002271433	206906810	/nfs/dbraw/zinc/90/68/10/206906810.db2.gz	YENWHBXQSZDNOE-RAXLEYEMSA-N	-1	0	373.321	1.550	50	5		FDBARM
O=C([O-])CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1	ZINC000003887120	206992564	/nfs/dbraw/zinc/99/25/64/206992564.db2.gz	WOKURNVOTCOPJS-UHFFFAOYSA-N	-1	0	355.328	1.163	50	5		FDBARM
CSCC[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000041155321	208281980	/nfs/dbraw/zinc/28/19/80/208281980.db2.gz	YITUXOYQSKMYPA-LBPRGKRZSA-N	-1	0	369.399	1.037	50	5		FDBARM
CC(C)(C)n1ncc2c1ncn([N-]C(=O)c1ccccc1[N+](=O)[O-])c2=O	ZINC000010250821	518530757	/nfs/dbraw/zinc/53/07/57/518530757.db2.gz	GYALLWKCDDCDKZ-UHFFFAOYSA-N	-1	0	356.342	1.640	50	5		FDBARM
Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000013644291	518664910	/nfs/dbraw/zinc/66/49/10/518664910.db2.gz	RGEADOPQGSTIRR-UHFFFAOYSA-N	-1	0	364.339	1.828	50	5		FDBARM
COC(=O)[C@@H](CCSC)Nc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016134153	670638929	/nfs/dbraw/zinc/63/89/29/670638929.db2.gz	INCFGGQHLCJJMN-MRVPVSSYSA-N	-1	0	373.343	1.908	50	5		FDBARM
Cn1c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2n(C)c1=O	ZINC000004756674	210562267	/nfs/dbraw/zinc/56/22/67/210562267.db2.gz	XBVDZNROKFMWLL-UHFFFAOYSA-N	-1	0	362.367	1.586	50	5		FDBARM
O=C([O-])CNC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000001145170	210323897	/nfs/dbraw/zinc/32/38/97/210323897.db2.gz	CATGYUDMJLVJHJ-UHFFFAOYSA-N	-1	0	369.289	1.210	50	5		FDBARM
O=C(C=C([O-])c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc([N+](=O)[O-])cs1	ZINC000103010974	222318794	/nfs/dbraw/zinc/31/87/94/222318794.db2.gz	GXUNGXWPKYTECE-UHFFFAOYSA-N	-1	0	364.295	1.740	50	5		FDBARM
O=C(c1ccco1)C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(O)=C12	ZINC000003849002	518279615	/nfs/dbraw/zinc/27/96/15/518279615.db2.gz	NONCNMRPGNJYJQ-SMDDNHRTSA-N	-1	0	355.262	1.315	50	5		FDBARM
CC(C)(C)OC(=O)N1CCN(c2cnccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000169725780	534840371	/nfs/dbraw/zinc/84/03/71/534840371.db2.gz	PDZWRHMUQBLUPK-LBPRGKRZSA-N	-1	0	352.347	1.500	50	5		FDBARM
NS(=O)(=O)c1ccc(N[C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1	ZINC000170626170	222608979	/nfs/dbraw/zinc/60/89/79/222608979.db2.gz	DBXHBVSPOFDEGY-ZDUSSCGKSA-N	-1	0	351.340	1.480	50	5		FDBARM
CC(=O)[C@@H]1[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F	ZINC000057531217	522105275	/nfs/dbraw/zinc/10/52/75/522105275.db2.gz	NOUGBGSAULFXJN-CKYFFXLPSA-N	-1	0	363.248	1.110	50	5		FDBARM
C[C@@H](O)CCN(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000252508455	537250535	/nfs/dbraw/zinc/25/05/35/537250535.db2.gz	XNNDFHYVTPQYIQ-SECBINFHSA-N	-1	0	368.777	1.982	50	5		FDBARM
Cc1cc(Cl)c(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1[N+](=O)[O-]	ZINC000225461588	537549139	/nfs/dbraw/zinc/54/91/39/537549139.db2.gz	MTYVRKAVLXGFIR-UHFFFAOYSA-N	-1	0	368.762	1.795	50	5		FDBARM
O=C([O-])CCN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000000852571	210281015	/nfs/dbraw/zinc/28/10/15/210281015.db2.gz	PDRBKYDHKLUUOT-UHFFFAOYSA-N	-1	0	368.301	1.897	50	5		FDBARM
CC(C)(C)OC(=O)N[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000095495923	221921810	/nfs/dbraw/zinc/92/18/10/221921810.db2.gz	XKHQTCSLBRZQAC-SNVBAGLBSA-N	-1	0	370.318	1.893	50	5		FDBARM
C[C@H](C(=O)[O-])N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O	ZINC000098087107	222228053	/nfs/dbraw/zinc/22/80/53/222228053.db2.gz	IADJUXFIFVUQSC-ZCFIWIBFSA-N	-1	0	359.250	1.725	50	5		FDBARM
O=C(Nc1ccccc1[N+](=O)[O-])C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000100721903	222251035	/nfs/dbraw/zinc/25/10/35/222251035.db2.gz	BJDABJDWAIZPSY-RMKBEBRYSA-N	-1	0	373.346	1.231	50	5		FDBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1[N+](=O)[O-]	ZINC000006316408	518368118	/nfs/dbraw/zinc/36/81/18/518368118.db2.gz	GRZDKNVOLWHXBX-UHFFFAOYSA-N	-1	0	351.340	1.503	50	5		FDBARM
CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000035839533	519611489	/nfs/dbraw/zinc/61/14/89/519611489.db2.gz	MTZHBAGXNWIUHY-CYBMUJFWSA-N	-1	0	367.383	1.835	50	5		FDBARM
COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cn(C)nc2[N+](=O)[O-])c1	ZINC000089265514	524483467	/nfs/dbraw/zinc/48/34/67/524483467.db2.gz	NNQYCXNZLPSRQD-UHFFFAOYSA-N	-1	0	369.359	1.096	50	5		FDBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3n3nnnc23)c1	ZINC000009636211	210290744	/nfs/dbraw/zinc/29/07/44/210290744.db2.gz	AHSHXLWISAPSDC-UHFFFAOYSA-N	-1	0	371.338	1.382	50	5		FDBARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005966603	518359481	/nfs/dbraw/zinc/35/94/81/518359481.db2.gz	KLYFBRIGJAYMHO-UHFFFAOYSA-N	-1	0	358.306	1.717	50	5		FDBARM
O=C(c1cnn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1[O-]	ZINC000008515382	518478505	/nfs/dbraw/zinc/47/85/05/518478505.db2.gz	XNSIBGWBWSWVLF-UHFFFAOYSA-N	-1	0	373.346	1.965	50	5		FDBARM
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-]	ZINC000008767343	518486644	/nfs/dbraw/zinc/48/66/44/518486644.db2.gz	DAGRMUMXRPZWRG-UHFFFAOYSA-N	-1	0	368.323	1.808	50	5		FDBARM
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000034805672	519597228	/nfs/dbraw/zinc/59/72/28/519597228.db2.gz	HMUVNDUXYVHYPO-ZDUSSCGKSA-N	-1	0	365.342	1.889	50	5		FDBARM
CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036035420	519613663	/nfs/dbraw/zinc/61/36/63/519613663.db2.gz	NXFOVEOXNFXSPI-AWEZNQCLSA-N	-1	0	365.342	1.508	50	5		FDBARM
CC(C)(C)OC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000052507802	534841097	/nfs/dbraw/zinc/84/10/97/534841097.db2.gz	BXPDSSDKTZYQFY-UHFFFAOYSA-N	-1	0	352.347	1.745	50	5		FDBARM
CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000037062872	958415040	/nfs/dbraw/zinc/41/50/40/958415040.db2.gz	VXZXOMDZRJBUGH-LBPRGKRZSA-N	-1	0	360.326	1.590	50	5		FDBARM
O=C([O-])COc1ccc([N+](=O)[O-])c(-n2cnc(C(F)(F)F)cc2=O)c1	ZINC000261494818	223075461	/nfs/dbraw/zinc/07/54/61/223075461.db2.gz	JMZOITOUTANVBK-UHFFFAOYSA-N	-1	0	359.216	1.623	50	5		FDBARM
O=C([O-])CC[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000002451280	518242465	/nfs/dbraw/zinc/24/24/65/518242465.db2.gz	YDTBNDVSIIGDTQ-QMMMGPOBSA-N	-1	0	370.305	1.916	50	5		FDBARM
O=C([O-])CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000004837030	210569671	/nfs/dbraw/zinc/56/96/71/210569671.db2.gz	YENWHBXQSZDNOE-JLHYYAGUSA-N	-1	0	373.321	1.550	50	5		FDBARM
C[C@H](Nc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[N+](=O)[O-])C1CC1	ZINC000009322533	210271499	/nfs/dbraw/zinc/27/14/99/210271499.db2.gz	NCNISVXNWYQHTP-VIFPVBQESA-N	-1	0	357.388	1.558	50	5		FDBARM
O=C([O-])CC[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F	ZINC000002451279	518242311	/nfs/dbraw/zinc/24/23/11/518242311.db2.gz	YDTBNDVSIIGDTQ-MRVPVSSYSA-N	-1	0	370.305	1.916	50	5		FDBARM
Cn1c(=O)c2c([O-])c(I)c(=O)oc2c2ccccc21	ZINC000006666631	518380394	/nfs/dbraw/zinc/38/03/94/518380394.db2.gz	LFMLHCSDXAFKQB-UHFFFAOYSA-N	-1	0	369.114	1.955	50	5		FDBARM
CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036035421	519613422	/nfs/dbraw/zinc/61/34/22/519613422.db2.gz	NXFOVEOXNFXSPI-CQSZACIVSA-N	-1	0	365.342	1.508	50	5		FDBARM
Cc1cc(OCC(=O)Nc2cnn(CCCC(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000001426818	210351840	/nfs/dbraw/zinc/35/18/40/210351840.db2.gz	ONHWITUZXYBLSM-UHFFFAOYSA-N	-1	0	362.342	1.982	50	5		FDBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccco1	ZINC000004716029	518309717	/nfs/dbraw/zinc/30/97/17/518309717.db2.gz	OZUZBAMCAJVPAI-LLVKDONJSA-N	-1	0	354.340	1.991	50	5		FDBARM
C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nccs1	ZINC000299780405	533479984	/nfs/dbraw/zinc/47/99/84/533479984.db2.gz	UUSFSBPETYFFBH-SSDOTTSWSA-N	-1	0	357.369	1.789	50	5		FDBARM
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004832194	518315363	/nfs/dbraw/zinc/31/53/63/518315363.db2.gz	VAMVYBHBKNQEPE-UHFFFAOYSA-N	-1	0	355.306	1.925	50	5		FDBARM
CN(C)C(=O)C(C)(C)[N-]S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1F	ZINC000072307557	522209783	/nfs/dbraw/zinc/20/97/83/522209783.db2.gz	HJXUWBLPKNQWTM-UHFFFAOYSA-N	-1	0	351.331	1.018	50	5		FDBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000015857117	220168955	/nfs/dbraw/zinc/16/89/55/220168955.db2.gz	RAGGWTPFKOIIQF-TXEJJXNPSA-N	-1	0	359.338	1.656	50	5		FDBARM
Cn1c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n(C)c1=S	ZINC000101494779	222276261	/nfs/dbraw/zinc/27/62/61/222276261.db2.gz	DDUQNEQCKPSHHO-JTQLQIEISA-N	-1	0	361.383	1.506	50	5		FDBARM
Cn1c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n(C)c1=S	ZINC000101494784	222276347	/nfs/dbraw/zinc/27/63/47/222276347.db2.gz	DDUQNEQCKPSHHO-SNVBAGLBSA-N	-1	0	361.383	1.506	50	5		FDBARM
O=C(Nc1ccccc1[N+](=O)[O-])C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005739294	518353847	/nfs/dbraw/zinc/35/38/47/518353847.db2.gz	BJDABJDWAIZPSY-RXBISOJRSA-N	-1	0	373.346	1.231	50	5		FDBARM
C[C@H](C(=O)[O-])N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000016322434	220182651	/nfs/dbraw/zinc/18/26/51/220182651.db2.gz	ZOJJLYPUPRRRRG-ZCFIWIBFSA-N	-1	0	359.250	1.725	50	5		FDBARM
O=C(Nc1ccccc1[N+](=O)[O-])C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000100721898	222250425	/nfs/dbraw/zinc/25/04/25/222250425.db2.gz	BJDABJDWAIZPSY-PTFIGZPYSA-N	-1	0	373.346	1.231	50	5		FDBARM
Cc1nn(C)c(C(=O)[N-]n2c(=O)c3ccccc3[nH]c2=S)c1[N+](=O)[O-]	ZINC000102004394	222288787	/nfs/dbraw/zinc/28/87/87/222288787.db2.gz	YILWNRMVIZJDEX-UHFFFAOYSA-N	-1	0	360.355	1.019	50	5		FDBARM
O=C([O-])CC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000002088068	518236430	/nfs/dbraw/zinc/23/64/30/518236430.db2.gz	NSEGVQVTJRXODS-QMMMGPOBSA-N	-1	0	370.305	1.916	50	5		FDBARM
CSCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000003166797	518259204	/nfs/dbraw/zinc/25/92/04/518259204.db2.gz	MQKVVMXFBDYRID-JTQLQIEISA-N	-1	0	362.791	1.950	50	5		FDBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C)n1	ZINC000084190120	571078610	/nfs/dbraw/zinc/07/86/10/571078610.db2.gz	UIBPBYJCTXBCPG-UHFFFAOYSA-N	-1	0	364.383	1.801	50	5		FDBARM
CCOC(=O)Cc1csc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000006088635	518362402	/nfs/dbraw/zinc/36/24/02/518362402.db2.gz	GIDZENNFVLMYKK-UHFFFAOYSA-N	-1	0	371.396	1.958	50	5		FDBARM
COCCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC	ZINC000009239049	518501682	/nfs/dbraw/zinc/50/16/82/518501682.db2.gz	YILZGVNGBLDXJO-HWKANZROSA-N	-1	0	363.326	1.176	50	5		FDBARM
CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035961613	519613821	/nfs/dbraw/zinc/61/38/21/519613821.db2.gz	RYAGVQAPTVCCBA-ZDUSSCGKSA-N	-1	0	365.342	1.890	50	5		FDBARM
Cc1c(C(=O)N(C)C)sc2c1C(=O)[N+](c1ccccc1[N+](=O)[O-])C(=O)[N-]2	ZINC000341062424	570817472	/nfs/dbraw/zinc/81/74/72/570817472.db2.gz	FYUHRMOLKKXEFG-UHFFFAOYSA-N	-1	0	374.378	1.515	50	5		FDBARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004052488	132386169	/nfs/dbraw/zinc/38/61/69/132386169.db2.gz	XWNITNJXNUOIMR-JKSUJKDBSA-N	-1	0	359.382	1.910	50	5		FDBARM
C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nccs1	ZINC000299780415	533965618	/nfs/dbraw/zinc/96/56/18/533965618.db2.gz	UUSFSBPETYFFBH-ZETCQYMHSA-N	-1	0	357.369	1.789	50	5		FDBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O	ZINC000004755108	518311598	/nfs/dbraw/zinc/31/15/98/518311598.db2.gz	RAGGWTPFKOIIQF-VXGBXAGGSA-N	-1	0	359.338	1.656	50	5		FDBARM
O=C([O-])CNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000004844135	518315340	/nfs/dbraw/zinc/31/53/40/518315340.db2.gz	DNNDEXPKQITMCB-XYOKQWHBSA-N	-1	0	359.294	1.160	50	5		FDBARM
CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000170609208	525641026	/nfs/dbraw/zinc/64/10/26/525641026.db2.gz	SKDPAAHYWXSCEF-UHFFFAOYSA-N	-1	0	368.371	1.614	50	5		FDBARM
C[C@H](O)CCN(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000252508456	537250585	/nfs/dbraw/zinc/25/05/85/537250585.db2.gz	XNNDFHYVTPQYIQ-VIFPVBQESA-N	-1	0	368.777	1.982	50	5		FDBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(N)=O	ZINC000007708366	219818621	/nfs/dbraw/zinc/81/86/21/219818621.db2.gz	MQZYBWUIDBQJFH-UHFFFAOYSA-N	-1	0	351.340	1.503	50	5		FDBARM
Cc1nc2cc([N-]S(=O)(=O)c3cn(C)nc3[N+](=O)[O-])ccc2n1C	ZINC000084287077	571081186	/nfs/dbraw/zinc/08/11/86/571081186.db2.gz	FKRIGEPIHURMQW-UHFFFAOYSA-N	-1	0	350.360	1.324	50	5		FDBARM
O=C([O-])[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1	ZINC000005009999	219639320	/nfs/dbraw/zinc/63/93/20/219639320.db2.gz	HGCKJFOQVURIHX-JKSUJKDBSA-N	-1	0	360.322	1.277	50	5		FDBARM
CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000012521453	220001638	/nfs/dbraw/zinc/00/16/38/220001638.db2.gz	WRFPGFSFLXZEQZ-UHFFFAOYSA-N	-1	0	371.396	1.767	50	5		FDBARM
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000036229325	519618445	/nfs/dbraw/zinc/61/84/45/519618445.db2.gz	PGWFUBSWGAQANV-GFCCVEGCSA-N	-1	0	351.315	1.452	50	5		FDBARM
Cn1ncc([N+](=O)[O-])c1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1	ZINC000170597344	525639929	/nfs/dbraw/zinc/63/99/29/525639929.db2.gz	IZIVHJMLEATFPJ-UHFFFAOYSA-N	-1	0	362.314	1.773	50	5		FDBARM
O=C([O-])[C@H](CC(=O)c1ccc(Br)cc1)n1cnc([N+](=O)[O-])n1	ZINC000000818196	219325227	/nfs/dbraw/zinc/32/52/27/219325227.db2.gz	FIPWHTAFOMNGGL-VIFPVBQESA-N	-1	0	369.131	1.848	50	5		FDBARM
O=C([O-])CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000002275637	219435122	/nfs/dbraw/zinc/43/51/22/219435122.db2.gz	DNNDEXPKQITMCB-WQLSENKSSA-N	-1	0	359.294	1.160	50	5		FDBARM
Cn1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2[O-])n1	ZINC000002096248	518236419	/nfs/dbraw/zinc/23/64/19/518236419.db2.gz	BCWYVFVVZGYTRP-UHFFFAOYSA-N	-1	0	355.763	1.814	50	5		FDBARM
CSCC[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000041155324	519646949	/nfs/dbraw/zinc/64/69/49/519646949.db2.gz	YITUXOYQSKMYPA-GFCCVEGCSA-N	-1	0	369.399	1.037	50	5		FDBARM
CCOc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-]	ZINC000262884556	536929193	/nfs/dbraw/zinc/92/91/93/536929193.db2.gz	HJPZFBPAAZRWFT-ZDUSSCGKSA-N	-1	0	366.370	1.851	50	5		FDBARM
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000940020	518223643	/nfs/dbraw/zinc/22/36/43/518223643.db2.gz	DDSCVQOFIYLIRF-GFCCVEGCSA-N	-1	0	372.337	1.366	50	5		FDBARM
O=C([O-])[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1	ZINC000005010000	518325170	/nfs/dbraw/zinc/32/51/70/518325170.db2.gz	HGCKJFOQVURIHX-CVEARBPZSA-N	-1	0	360.322	1.277	50	5		FDBARM
O=C(c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c[nH]1)N1CCCC1	ZINC000029434885	519293151	/nfs/dbraw/zinc/29/31/51/519293151.db2.gz	BGCGGKCDXZYYTC-UHFFFAOYSA-N	-1	0	364.383	1.960	50	5		FDBARM
COC(=O)c1nscc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000079075822	523699360	/nfs/dbraw/zinc/69/93/60/523699360.db2.gz	PYVPVJYHPGNLBD-UHFFFAOYSA-N	-1	0	373.368	1.647	50	5		FDBARM
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000036042408	205002467	/nfs/dbraw/zinc/00/24/67/205002467.db2.gz	LDLRZDOGUJMHHZ-CYBMUJFWSA-N	-1	0	365.342	1.890	50	5		FDBARM
COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1	ZINC000054040712	206329889	/nfs/dbraw/zinc/32/98/89/206329889.db2.gz	SLJCAWALECQORC-UHFFFAOYSA-N	-1	0	354.344	1.074	50	5		FDBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)c(Br)c2)[nH]1	ZINC000030840436	519394981	/nfs/dbraw/zinc/39/49/81/519394981.db2.gz	UCKWOQZFDRKOMP-IWQZZHSRSA-N	-1	0	354.116	1.610	50	5		FDBARM
O=C([O-])CN(c1ccc(O)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003140822	670508592	/nfs/dbraw/zinc/50/85/92/670508592.db2.gz	MKOXYUXYNSZHKW-UHFFFAOYSA-N	-1	0	352.324	1.580	50	5		FDBARM
O=C([O-])CNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	ZINC000004891591	204173773	/nfs/dbraw/zinc/17/37/73/204173773.db2.gz	DNAOREXTJBCPCP-WQLSENKSSA-N	-1	0	359.294	1.160	50	5		FDBARM
COCCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000009238416	204359940	/nfs/dbraw/zinc/35/99/40/204359940.db2.gz	NHDUOFVZQXAHKT-HWKANZROSA-N	-1	0	363.326	1.176	50	5		FDBARM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000000754070	518218415	/nfs/dbraw/zinc/21/84/15/518218415.db2.gz	CJZULHCZNLKCKX-UHFFFAOYSA-N	-1	0	373.321	1.484	50	5		FDBARM
C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000027551421	519183551	/nfs/dbraw/zinc/18/35/51/519183551.db2.gz	QOHCJPKSLFMBAN-ADVUTCEVSA-N	-1	0	373.321	1.548	50	5		FDBARM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)c1N	ZINC000170619881	525646617	/nfs/dbraw/zinc/64/66/17/525646617.db2.gz	XESYMXSIIAHMNC-UHFFFAOYSA-N	-1	0	369.330	1.904	50	5		FDBARM
O=C(COc1cc(O)c2c(c1)oc1ccccc1c2=O)N1CCNC1=O	ZINC000062001457	522506797	/nfs/dbraw/zinc/50/67/97/522506797.db2.gz	DEPOACJRWNBMHE-UHFFFAOYSA-N	-1	0	354.318	1.582	50	5	biogenic	FDBARM
C[C@@]1(C(=O)[O-])CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000262113573	602031310	/nfs/dbraw/zinc/03/13/10/602031310.db2.gz	FNQDHIBLGZCGCY-OAHLLOKOSA-N	-1	0	367.383	1.109	50	5		FDBARM
COCc1nnc([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1	ZINC000002484440	204041566	/nfs/dbraw/zinc/04/15/66/204041566.db2.gz	NRNJRMUTJQTSSO-UHFFFAOYSA-N	-1	0	354.344	1.862	50	5		FDBARM
CC(=O)N[C@@H](CS[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000002667966	206155764	/nfs/dbraw/zinc/15/57/64/206155764.db2.gz	MXLWGGRCQUQVFM-GWCFXTLKSA-N	-1	0	356.356	1.056	50	5		FDBARM
C[C@@H](C(=O)[O-])N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O	ZINC000098087106	525201573	/nfs/dbraw/zinc/20/15/73/525201573.db2.gz	IADJUXFIFVUQSC-LURJTMIESA-N	-1	0	359.250	1.725	50	5		FDBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)c(Cl)c1	ZINC000225550336	537553249	/nfs/dbraw/zinc/55/32/49/537553249.db2.gz	NPZGCANLJNRMFQ-UHFFFAOYSA-N	-1	0	354.735	1.487	50	5		FDBARM
O=C([O-])c1ccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1	ZINC000006550426	204253378	/nfs/dbraw/zinc/25/33/78/204253378.db2.gz	UNUDYRBIOAHSCW-UHFFFAOYSA-N	-1	0	368.305	1.642	50	5		FDBARM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)ccc1[O-]	ZINC000021363681	206354533	/nfs/dbraw/zinc/35/45/33/206354533.db2.gz	REHMPFHUQXYCRJ-UHFFFAOYSA-N	-1	0	362.327	1.077	50	5		FDBARM
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000000951798	518224156	/nfs/dbraw/zinc/22/41/56/518224156.db2.gz	FZZPZBPYHYQDSE-GFCCVEGCSA-N	-1	0	372.337	1.366	50	5		FDBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1	ZINC000025044534	519033892	/nfs/dbraw/zinc/03/38/92/519033892.db2.gz	IWSSAJQYBBBPHF-WBMJQRKESA-N	-1	0	365.386	1.442	50	5		FDBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	ZINC000100835636	525216130	/nfs/dbraw/zinc/21/61/30/525216130.db2.gz	RAGGWTPFKOIIQF-RYUDHWBXSA-N	-1	0	359.338	1.656	50	5		FDBARM
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccccc1	ZINC000000128452	518216100	/nfs/dbraw/zinc/21/61/00/518216100.db2.gz	DHZPEUPCOWNYIS-AWEZNQCLSA-N	-1	0	350.352	1.569	50	5		FDBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)nc1	ZINC000005579541	518350267	/nfs/dbraw/zinc/35/02/67/518350267.db2.gz	MRPRBIHRHGYTOZ-UHFFFAOYSA-N	-1	0	364.383	1.627	50	5		FDBARM
Nc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000013195112	518651772	/nfs/dbraw/zinc/65/17/72/518651772.db2.gz	BFOCECPPLWOWSB-UHFFFAOYSA-N	-1	0	365.367	1.995	50	5		FDBARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001595221	518234335	/nfs/dbraw/zinc/23/43/35/518234335.db2.gz	AGZMQTIIZFXACL-UHFFFAOYSA-N	-1	0	357.369	1.043	50	5		FDBARM
O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002556845	518244433	/nfs/dbraw/zinc/24/44/33/518244433.db2.gz	JVHRPLXWZFPXIJ-AWEZNQCLSA-N	-1	0	350.352	1.569	50	5		FDBARM
Cc1sc2nc(C)n([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c(=O)c2c1C	ZINC000002735428	518247566	/nfs/dbraw/zinc/24/75/66/518247566.db2.gz	DOVWCMWNSDRTIF-UHFFFAOYSA-N	-1	0	362.371	1.409	50	5		FDBARM
COC(=O)COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000005065666	518329222	/nfs/dbraw/zinc/32/92/22/518329222.db2.gz	YIWGGVAAPSTPRU-UHFFFAOYSA-N	-1	0	366.351	1.947	50	5		FDBARM
CCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-]	ZINC000262884555	178820637	/nfs/dbraw/zinc/82/06/37/178820637.db2.gz	HJPZFBPAAZRWFT-CYBMUJFWSA-N	-1	0	366.370	1.851	50	5		FDBARM
CCOc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000040157627	208240867	/nfs/dbraw/zinc/24/08/67/208240867.db2.gz	MDWIQYSSXUNYEO-UHFFFAOYSA-N	-1	0	352.343	1.696	50	5		FDBARM
C[C@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002949409	518256330	/nfs/dbraw/zinc/25/63/30/518256330.db2.gz	DBCBYQRTPCDLER-AVMBBCFPSA-N	-1	0	373.321	1.548	50	5		FDBARM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N-]OCc1ccccc1	ZINC000025038669	519033397	/nfs/dbraw/zinc/03/33/97/519033397.db2.gz	FXQZQTDEOMYGIF-UHFFFAOYSA-N	-1	0	357.322	1.568	50	5		FDBARM
Cn1cnc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000089756626	524524907	/nfs/dbraw/zinc/52/49/07/524524907.db2.gz	FWWNVAJYOSBYFB-UHFFFAOYSA-N	-1	0	361.177	1.892	50	5		FDBARM
Cn1c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)n(C)c1=S	ZINC000101494853	209226720	/nfs/dbraw/zinc/22/67/20/209226720.db2.gz	GYJDOTZFGZTTRA-JTQLQIEISA-N	-1	0	361.383	1.506	50	5		FDBARM
O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002654581	206926519	/nfs/dbraw/zinc/92/65/19/206926519.db2.gz	DCRZTRAVBRLBLM-AWEZNQCLSA-N	-1	0	362.363	1.795	50	5		FDBARM
O=C(Nc1ccccc1[N+](=O)[O-])C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005739309	207114377	/nfs/dbraw/zinc/11/43/77/207114377.db2.gz	BJDABJDWAIZPSY-IYJVBRSBSA-N	-1	0	373.346	1.231	50	5		FDBARM
Cn1cc(S(=O)(=O)[N-]c2ccccc2N2CCOC2=O)c([N+](=O)[O-])n1	ZINC000089749831	524524476	/nfs/dbraw/zinc/52/44/76/524524476.db2.gz	YXBIYOIKRBRPAG-UHFFFAOYSA-N	-1	0	367.343	1.086	50	5		FDBARM
C[C@@H](Nc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[N+](=O)[O-])C1CC1	ZINC000009322534	206831184	/nfs/dbraw/zinc/83/11/84/206831184.db2.gz	NCNISVXNWYQHTP-SECBINFHSA-N	-1	0	357.388	1.558	50	5		FDBARM
CC(C)CCNc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000009338763	206831964	/nfs/dbraw/zinc/83/19/64/206831964.db2.gz	CXGNJVNAPPXTSX-UHFFFAOYSA-N	-1	0	359.404	1.806	50	5		FDBARM
O=C([O-])CCNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	ZINC000002275160	206908686	/nfs/dbraw/zinc/90/86/86/206908686.db2.gz	QHRRIONBVJHSGI-JLHYYAGUSA-N	-1	0	373.321	1.550	50	5		FDBARM
C[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000004843944	207054559	/nfs/dbraw/zinc/05/45/59/207054559.db2.gz	HGYAMJBKPQSFID-YWEFTTLKSA-N	-1	0	373.321	1.548	50	5	aggregator	FDBARM
COc1cc([N-]c2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])nc1[N+](=O)[O-]	ZINC000009600667	207278223	/nfs/dbraw/zinc/27/82/23/207278223.db2.gz	SLGDSQYSJGJHQH-UHFFFAOYSA-N	-1	0	369.315	1.298	50	5		FDBARM
CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000021633128	518879366	/nfs/dbraw/zinc/87/93/66/518879366.db2.gz	YBNSADSSWSOWMQ-UHFFFAOYSA-N	-1	0	365.367	1.764	50	5		FDBARM
O=C([O-])[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1	ZINC000005009997	207070877	/nfs/dbraw/zinc/07/08/77/207070877.db2.gz	HGCKJFOQVURIHX-HOTGVXAUSA-N	-1	0	360.322	1.277	50	5		FDBARM
O=C([O-])CN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000001208237	518229896	/nfs/dbraw/zinc/22/98/96/518229896.db2.gz	CIMHDBDMKDNVCC-UHFFFAOYSA-N	-1	0	354.274	1.506	50	5		FDBARM
Cc1cc2c(nc(C)n([N-]C(=O)c3nn(C)c(C)c3[N+](=O)[O-])c2=O)s1	ZINC000002777912	518249770	/nfs/dbraw/zinc/24/97/70/518249770.db2.gz	LBRUTFLOFWOJFA-UHFFFAOYSA-N	-1	0	362.371	1.409	50	5		FDBARM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1[N+](=O)[O-]	ZINC000004548517	207027013	/nfs/dbraw/zinc/02/70/13/207027013.db2.gz	PQPVCBNFKZXXQG-UHFFFAOYSA-N	-1	0	362.367	1.917	50	5		FDBARM
O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002654582	518245793	/nfs/dbraw/zinc/24/57/93/518245793.db2.gz	DCRZTRAVBRLBLM-CQSZACIVSA-N	-1	0	362.363	1.795	50	5		FDBARM
CONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000010127098	518527289	/nfs/dbraw/zinc/52/72/89/518527289.db2.gz	IJROWQIFYQRZGE-UHFFFAOYSA-N	-1	0	365.367	1.995	50	5		FDBARM
CCCCn1c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101762028	209229762	/nfs/dbraw/zinc/22/97/62/209229762.db2.gz	YHFXSOUEQOTMTA-GFCCVEGCSA-N	-1	0	373.369	1.389	50	5		FDBARM
Cc1cc2c(nc(C)n([N-]C(=O)c3c([N+](=O)[O-])c(C)nn3C)c2=O)s1	ZINC000002777938	206932746	/nfs/dbraw/zinc/93/27/46/206932746.db2.gz	RTIVJNZMGOPPQB-UHFFFAOYSA-N	-1	0	362.371	1.409	50	5		FDBARM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000036180246	208148815	/nfs/dbraw/zinc/14/88/15/208148815.db2.gz	GFJWIPGRJIVHFX-KEXZDQNZSA-N	-1	0	352.324	1.898	50	5		FDBARM
Cc1cnc([N+](=O)[O-])n1CCOC([O-])=NC(=O)c1c(F)cccc1F	ZINC000001424291	518231473	/nfs/dbraw/zinc/23/14/73/518231473.db2.gz	LIZUDPHDUYQGSX-UHFFFAOYSA-N	-1	0	354.269	1.945	50	5		FDBARM
Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001729484	518233838	/nfs/dbraw/zinc/23/38/38/518233838.db2.gz	CECKDQJJCZIYTB-UHFFFAOYSA-N	-1	0	369.293	1.905	50	5		FDBARM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(Cc3ccc(F)cc3)n2)n1	ZINC000002785166	518248526	/nfs/dbraw/zinc/24/85/26/518248526.db2.gz	PAGJAWSEXSBXRY-UHFFFAOYSA-N	-1	0	359.321	1.842	50	5		FDBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccco1	ZINC000004716028	207041501	/nfs/dbraw/zinc/04/15/01/207041501.db2.gz	OZUZBAMCAJVPAI-NSHDSACASA-N	-1	0	354.340	1.991	50	5		FDBARM
COc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000103573426	222339520	/nfs/dbraw/zinc/33/95/20/222339520.db2.gz	YMLWYIJFKFJQDM-GOEBONIOSA-N	-1	0	367.317	1.896	50	5		FDBARM
Cn1ncc(Cl)c1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000005331178	263340417	/nfs/dbraw/zinc/34/04/17/263340417.db2.gz	YEZLCWNAWLDJBC-UHFFFAOYSA-N	-1	0	355.763	1.814	50	5		FDBARM
O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005773856	518352983	/nfs/dbraw/zinc/35/29/83/518352983.db2.gz	YXHATIWTAIZUER-LBPRGKRZSA-N	-1	0	350.352	1.569	50	5		FDBARM
CC(C)C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000041157896	211771732	/nfs/dbraw/zinc/77/17/32/211771732.db2.gz	MMTFGJFXCGKQIT-CYBMUJFWSA-N	-1	0	351.359	1.330	50	5		FDBARM
O=C([O-])CC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000002088067	210380129	/nfs/dbraw/zinc/38/01/29/210380129.db2.gz	NSEGVQVTJRXODS-MRVPVSSYSA-N	-1	0	370.305	1.916	50	5		FDBARM
CCOC(=O)COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000005060408	518329066	/nfs/dbraw/zinc/32/90/66/518329066.db2.gz	VNVOWFIOCNDAED-VMPITWQZSA-N	-1	0	361.310	1.496	50	5		FDBARM
CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000012526304	518618740	/nfs/dbraw/zinc/61/87/40/518618740.db2.gz	RJGRHADFJBXSNL-UHFFFAOYSA-N	-1	0	371.396	1.767	50	5		FDBARM
CC(=O)N[C@H](CS[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000002667967	219456756	/nfs/dbraw/zinc/45/67/56/219456756.db2.gz	MXLWGGRCQUQVFM-MFKMUULPSA-N	-1	0	356.356	1.056	50	5		FDBARM
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1	ZINC000016115614	211155730	/nfs/dbraw/zinc/15/57/30/211155730.db2.gz	OCSWWMCZXCADRI-UHFFFAOYSA-N	-1	0	357.369	1.043	50	5		FDBARM
CCOCCc1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000013838894	211062241	/nfs/dbraw/zinc/06/22/41/211062241.db2.gz	HCFNPWISURHLRS-UHFFFAOYSA-N	-1	0	358.401	1.826	50	5		FDBARM
CCCCn1c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101761992	222284295	/nfs/dbraw/zinc/28/42/95/222284295.db2.gz	UTOQVOZYFUBBNA-LBPRGKRZSA-N	-1	0	373.369	1.389	50	5		FDBARM
O=C([O-])CS(=O)(=O)c1ccc([S@](=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000001794484	518236812	/nfs/dbraw/zinc/23/68/12/518236812.db2.gz	MKTMLJJYKOKXHV-OAQYLSRUSA-N	-1	0	361.275	1.081	50	5		FDBARM
CSCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000003166798	518259715	/nfs/dbraw/zinc/25/97/15/518259715.db2.gz	MQKVVMXFBDYRID-SNVBAGLBSA-N	-1	0	362.791	1.950	50	5		FDBARM
COC(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000024957434	519025719	/nfs/dbraw/zinc/02/57/19/519025719.db2.gz	DKAKFVYEKSSRGC-UHFFFAOYSA-N	-1	0	366.351	1.947	50	5		FDBARM
CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000035839530	519611621	/nfs/dbraw/zinc/61/16/21/519611621.db2.gz	MTZHBAGXNWIUHY-ZDUSSCGKSA-N	-1	0	367.383	1.835	50	5		FDBARM
CCOC(=O)CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000036383965	519621483	/nfs/dbraw/zinc/62/14/83/519621483.db2.gz	RYJPTMBHRBJJPC-IZZDOVSWSA-N	-1	0	352.324	1.900	50	5		FDBARM
Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000225386849	222836537	/nfs/dbraw/zinc/83/65/37/222836537.db2.gz	QVXHDAQSUNTDFQ-UHFFFAOYSA-N	-1	0	350.352	1.787	50	5		FDBARM
Cc1ccc(OCC(=O)Nc2cnn(CCCC(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000001426779	210351511	/nfs/dbraw/zinc/35/15/11/210351511.db2.gz	COPSMCHWVCKPCM-UHFFFAOYSA-N	-1	0	362.342	1.982	50	5		FDBARM
CS(=O)(=O)[N-]c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000002852181	487470504	/nfs/dbraw/zinc/47/05/04/487470504.db2.gz	SEHYEUQFPKNYST-UHFFFAOYSA-N	-1	0	363.398	1.256	50	5		FDBARM
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000008036095	518449851	/nfs/dbraw/zinc/44/98/51/518449851.db2.gz	NXWIVQITQRJSTR-UHFFFAOYSA-N	-1	0	356.381	1.799	50	5		FDBARM
O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000011117255	518553318	/nfs/dbraw/zinc/55/33/18/518553318.db2.gz	BXCKQWVWUVSEOQ-UHFFFAOYSA-N	-1	0	358.354	1.462	50	5		FDBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@H]1CCOC1)N1CCOCC1	ZINC000025044548	519033191	/nfs/dbraw/zinc/03/31/91/519033191.db2.gz	IWSSAJQYBBBPHF-LRDDRELGSA-N	-1	0	365.386	1.442	50	5		FDBARM
CC(=O)N[C@H](CS[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000002667969	518246981	/nfs/dbraw/zinc/24/69/81/518246981.db2.gz	MXLWGGRCQUQVFM-ZWNOBZJWSA-N	-1	0	356.356	1.056	50	5		FDBARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000007985669	518448282	/nfs/dbraw/zinc/44/82/82/518448282.db2.gz	KMEUHFPILQSIJK-UHFFFAOYSA-N	-1	0	372.333	1.646	50	5		FDBARM
NS(=O)(=O)c1ccc(N[C@@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1	ZINC000170626169	525648844	/nfs/dbraw/zinc/64/88/44/525648844.db2.gz	DBXHBVSPOFDEGY-CYBMUJFWSA-N	-1	0	351.340	1.480	50	5		FDBARM
CCc1cc2c(nc(C)n([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c2=O)s1	ZINC000002781053	518248563	/nfs/dbraw/zinc/24/85/63/518248563.db2.gz	BYYKHYCAQCTWRA-UHFFFAOYSA-N	-1	0	362.371	1.354	50	5		FDBARM
O=C([O-])CCCn1cc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cn1	ZINC000004593712	518304464	/nfs/dbraw/zinc/30/44/64/518304464.db2.gz	YSYZTLPYTDFLKA-UHFFFAOYSA-N	-1	0	366.305	1.813	50	5		FDBARM
CC1CCN(c2ccc(S(=O)(=O)NCCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000009339439	518502806	/nfs/dbraw/zinc/50/28/06/518502806.db2.gz	UNVGFEFUJJFWLP-UHFFFAOYSA-N	-1	0	371.415	1.584	50	5		FDBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1NC[C@H]([C@H]1CCOC1)N1CCOCC1	ZINC000025044555	519033432	/nfs/dbraw/zinc/03/34/32/519033432.db2.gz	IWSSAJQYBBBPHF-BLLLJJGKSA-N	-1	0	365.386	1.442	50	5		FDBARM
CCOC(=O)c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000079105417	523704470	/nfs/dbraw/zinc/70/44/70/523704470.db2.gz	WMEUGBDVGJUNSW-UHFFFAOYSA-N	-1	0	358.357	1.424	50	5		FDBARM
CCc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1[N+](=O)[O-]	ZINC000026544247	519129878	/nfs/dbraw/zinc/12/98/78/519129878.db2.gz	RLEQYNQISOIQDQ-UHFFFAOYSA-N	-1	0	352.372	1.395	50	5		FDBARM
COC(=O)CN1C(=O)S/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000043773505	521892309	/nfs/dbraw/zinc/89/23/09/521892309.db2.gz	JVBKBXDFLJSEDK-YHYXMXQVSA-N	-1	0	368.323	1.518	50	5		FDBARM
CCn1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)c([N+](=O)[O-])n1	ZINC000089305598	524487967	/nfs/dbraw/zinc/48/79/67/524487967.db2.gz	VIOSRDXRLDDSML-UHFFFAOYSA-N	-1	0	366.403	1.607	50	5		FDBARM
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000095444507	525069966	/nfs/dbraw/zinc/06/99/66/525069966.db2.gz	VTGRBAPWGLHLDL-LBPRGKRZSA-N	-1	0	357.388	1.443	50	5		FDBARM
O=C([O-])[C@@H](CC(=O)c1ccc(Br)cc1)n1cnc([N+](=O)[O-])n1	ZINC000000818197	219325884	/nfs/dbraw/zinc/32/58/84/219325884.db2.gz	FIPWHTAFOMNGGL-SECBINFHSA-N	-1	0	369.131	1.848	50	5		FDBARM
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000036144754	519617060	/nfs/dbraw/zinc/61/70/60/519617060.db2.gz	HNDVCKWGZHHLID-LBPRGKRZSA-N	-1	0	351.315	1.500	50	5		FDBARM
O=C([O-])COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001122314	219374378	/nfs/dbraw/zinc/37/43/78/219374378.db2.gz	VVDWGKQKILKMFP-UHFFFAOYSA-N	-1	0	352.324	1.859	50	5		FDBARM
O=C([O-])[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1	ZINC000005010002	219639538	/nfs/dbraw/zinc/63/95/38/219639538.db2.gz	HGCKJFOQVURIHX-HZPDHXFCSA-N	-1	0	360.322	1.277	50	5		FDBARM
CCCCn1c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101761995	222284705	/nfs/dbraw/zinc/28/47/05/222284705.db2.gz	UTOQVOZYFUBBNA-GFCCVEGCSA-N	-1	0	373.369	1.389	50	5		FDBARM
O=C([O-])CCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	ZINC000004891592	518317365	/nfs/dbraw/zinc/31/73/65/518317365.db2.gz	QHRRIONBVJHSGI-RAXLEYEMSA-N	-1	0	373.321	1.550	50	5		FDBARM
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005773910	518354030	/nfs/dbraw/zinc/35/40/30/518354030.db2.gz	YXHATIWTAIZUER-GFCCVEGCSA-N	-1	0	350.352	1.569	50	5		FDBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-]	ZINC000009962170	518521383	/nfs/dbraw/zinc/52/13/83/518521383.db2.gz	YJVIKEJVPVWPHE-UHFFFAOYSA-N	-1	0	371.396	1.351	50	5		FDBARM
O=C(NC[C@H](O)COc1ccc(F)cc1)c1ccc([O-])cc1[N+](=O)[O-]	ZINC000170595812	525637253	/nfs/dbraw/zinc/63/72/53/525637253.db2.gz	NJVGEPZANVCTLZ-LBPRGKRZSA-N	-1	0	350.302	1.609	50	5		FDBARM
C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000004843945	219612296	/nfs/dbraw/zinc/61/22/96/219612296.db2.gz	HGYAMJBKPQSFID-QQMDNXKGSA-N	-1	0	373.321	1.548	50	5	aggregator	FDBARM
COc1ccc(OCC(=O)[N-]C(=O)c2ccccc2OC)c([N+](=O)[O-])c1	ZINC000007441777	219804598	/nfs/dbraw/zinc/80/45/98/219804598.db2.gz	AJXPTTQYIHJZIB-UHFFFAOYSA-N	-1	0	360.322	1.947	50	5		FDBARM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000014225025	220117541	/nfs/dbraw/zinc/11/75/41/220117541.db2.gz	XFIGTAJIECANGN-UHFFFAOYSA-N	-1	0	371.396	1.304	50	5		FDBARM
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])c([O-])c1	ZINC000019912920	220305039	/nfs/dbraw/zinc/30/50/39/220305039.db2.gz	LSYFOCATSFBMPN-UHFFFAOYSA-N	-1	0	362.338	1.881	50	5		FDBARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004052487	132386232	/nfs/dbraw/zinc/38/62/32/132386232.db2.gz	XWNITNJXNUOIMR-HZPDHXFCSA-N	-1	0	359.382	1.910	50	5		FDBARM
C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002948510	518255675	/nfs/dbraw/zinc/25/56/75/518255675.db2.gz	HGYAMJBKPQSFID-PEHNMLCRSA-N	-1	0	373.321	1.548	50	5		FDBARM
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1	ZINC000040150895	519641301	/nfs/dbraw/zinc/64/13/01/519641301.db2.gz	CHPBNSIAVSKIDL-UHFFFAOYSA-N	-1	0	374.371	1.938	50	5		FDBARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004052486	132386221	/nfs/dbraw/zinc/38/62/21/132386221.db2.gz	XWNITNJXNUOIMR-HOTGVXAUSA-N	-1	0	359.382	1.910	50	5		FDBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3=O)cc1[N+](=O)[O-]	ZINC000005047503	518327525	/nfs/dbraw/zinc/32/75/25/518327525.db2.gz	BPKDHQGVUYFRSZ-UHFFFAOYSA-N	-1	0	361.335	1.588	50	5		FDBARM
COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000009972445	518521542	/nfs/dbraw/zinc/52/15/42/518521542.db2.gz	GXXDTRSURHZDCI-VIFPVBQESA-N	-1	0	364.401	1.088	50	5		FDBARM
Cn1c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2n(C)c1=O	ZINC000001058965	219360438	/nfs/dbraw/zinc/36/04/38/219360438.db2.gz	DXTZZLUJYBIQAD-UHFFFAOYSA-N	-1	0	362.367	1.586	50	5		FDBARM
NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000003884776	518280337	/nfs/dbraw/zinc/28/03/37/518280337.db2.gz	MXFMDWRBRWUENM-UHFFFAOYSA-N	-1	0	352.328	1.379	50	5		FDBARM
O=C([O-])c1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	ZINC000005944359	518358889	/nfs/dbraw/zinc/35/88/89/518358889.db2.gz	MJGPVRLGOMXDCT-UHFFFAOYSA-N	-1	0	369.289	1.528	50	5		FDBARM
CCCCn1c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101762026	222283515	/nfs/dbraw/zinc/28/35/15/222283515.db2.gz	YHFXSOUEQOTMTA-LBPRGKRZSA-N	-1	0	373.369	1.389	50	5		FDBARM
O=C([O-])c1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000005198096	518334444	/nfs/dbraw/zinc/33/44/44/518334444.db2.gz	ZWDTZDCCNRYIIA-UHFFFAOYSA-N	-1	0	369.289	1.528	50	5		FDBARM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1	ZINC000096005686	525120897	/nfs/dbraw/zinc/12/08/97/525120897.db2.gz	DCYFHQIMEIGSCZ-UHFFFAOYSA-N	-1	0	354.344	1.604	50	5		FDBARM
CCOC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O	ZINC000012730055	220022880	/nfs/dbraw/zinc/02/28/80/220022880.db2.gz	NNPVNSCMBITYJA-UXBLZVDNSA-N	-1	0	352.324	1.900	50	5		FDBARM
COc1cc([C@@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)cc([N+](=O)[O-])c1[O-]	ZINC000020086524	220313201	/nfs/dbraw/zinc/31/32/01/220313201.db2.gz	KMIXOKHADKEWIE-GFCCVEGCSA-N	-1	0	358.310	1.709	50	5		FDBARM
C[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002949414	518255500	/nfs/dbraw/zinc/25/55/00/518255500.db2.gz	DBCBYQRTPCDLER-PEHNMLCRSA-N	-1	0	373.321	1.548	50	5		FDBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(N)=O)c1	ZINC000029323325	519287529	/nfs/dbraw/zinc/28/75/29/519287529.db2.gz	MMUHTIZQVBVQCE-UHFFFAOYSA-N	-1	0	366.355	1.895	50	5		FDBARM
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000034805674	519597246	/nfs/dbraw/zinc/59/72/46/519597246.db2.gz	HMUVNDUXYVHYPO-CYBMUJFWSA-N	-1	0	365.342	1.889	50	5		FDBARM