smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2O)[C@H]1C(=O)OCC	ZINC000102864526	130336599	/nfs/dbraw/zinc/33/65/99/130336599.db2.gz	UJBMHTQZNUGEQA-YRGRVCCFSA-N	0	1	454.482	2.399	50	5		JEBAMN
O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000012525640	526913867	/nfs/dbraw/zinc/91/38/67/526913867.db2.gz	TZYLYIPTDUVQRE-UHFFFAOYSA-N	0	1	494.327	2.380	50	5		JEBAMN
O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000012525641	526914433	/nfs/dbraw/zinc/91/44/33/526914433.db2.gz	VYZXXGMHXGTWEC-UHFFFAOYSA-N	0	1	494.327	2.380	50	5		JEBAMN
CC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	ZINC000009097058	554895793	/nfs/dbraw/zinc/89/57/93/554895793.db2.gz	CAZIWCDLSZLRNP-UHFFFAOYSA-N	0	1	466.903	2.353	50	5		JEBAMN
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1cc(C)cc(C)c1)C2=O)OC	ZINC000009216101	554984248	/nfs/dbraw/zinc/98/42/48/554984248.db2.gz	SOJWUHWEZAIKSK-DEOSSOPVSA-N	0	1	482.493	2.462	50	5		JEBAMN
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(C)cc1)C2=O)OC	ZINC000009253736	555029037	/nfs/dbraw/zinc/02/90/37/555029037.db2.gz	LNLKLRGFUIVWEK-HSZRJFAPSA-N	0	1	468.466	2.154	50	5		JEBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	ZINC000016009663	556108194	/nfs/dbraw/zinc/10/81/94/556108194.db2.gz	RYTYBAMWBXKNBE-ORGXJRBJSA-N	0	1	452.492	2.273	50	5		JEBAMN
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000016994612	556199075	/nfs/dbraw/zinc/19/90/75/556199075.db2.gz	YFDMJGABDQTZBF-RDPSFJRHSA-N	0	1	463.494	2.419	50	5		JEBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000016994612	556199080	/nfs/dbraw/zinc/19/90/80/556199080.db2.gz	YFDMJGABDQTZBF-RDPSFJRHSA-N	0	1	463.494	2.419	50	5		JEBAMN
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000035179208	569677508	/nfs/dbraw/zinc/67/75/08/569677508.db2.gz	NEFWYQFITPQLNE-UHFFFAOYSA-N	0	1	484.494	2.275	50	5		JEBAMN
CN1CCN(S(=O)(=O)c2ccc(N3CCCN(Cc4ccc(F)cc4)CC3)c([N+](=O)[O-])c2)CC1	ZINC000035292529	569679704	/nfs/dbraw/zinc/67/97/04/569679704.db2.gz	ONXHSZDJQIECIJ-UHFFFAOYSA-N	0	1	491.589	2.382	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccc(C)cc21	ZINC000049705696	569850082	/nfs/dbraw/zinc/85/00/82/569850082.db2.gz	UKIMYBMMSAINOY-MDTICMOCSA-N	0	1	462.462	2.343	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2c1cccc2C	ZINC000049721901	569850218	/nfs/dbraw/zinc/85/02/18/569850218.db2.gz	PENSRQGJEMXDOL-NARGUJOISA-N	0	1	462.462	2.343	50	5		JEBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	ZINC000245247217	570059231	/nfs/dbraw/zinc/05/92/31/570059231.db2.gz	RYTYBAMWBXKNBE-AYMMHLMVSA-N	0	1	452.492	2.273	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000245326449	570064663	/nfs/dbraw/zinc/06/46/63/570064663.db2.gz	KFTWQOYSBQMODJ-QPXQOZNCSA-N	0	1	450.451	2.184	50	5		JEBAMN
O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCN(c2ncccn2)CC1	ZINC000012522906	526487295	/nfs/dbraw/zinc/48/72/95/526487295.db2.gz	MBWSSWFGWAUCOX-UHFFFAOYSA-N	0	1	493.490	2.265	50	5		JEBAMN
NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000012374509	526973257	/nfs/dbraw/zinc/97/32/57/526973257.db2.gz	KVVYMIKSWPHUSH-CMILKDJGSA-N	0	1	497.895	2.144	50	5		JEBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000009123269	554914427	/nfs/dbraw/zinc/91/44/27/554914427.db2.gz	SWBRQCZOTHIJNB-DYESRHJHSA-N	0	1	456.842	2.279	50	5		JEBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000009123271	554914434	/nfs/dbraw/zinc/91/44/34/554914434.db2.gz	SWBRQCZOTHIJNB-UTKZUKDTSA-N	0	1	456.842	2.279	50	5		JEBAMN
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1cccc(C)c1C)C2=O)OC	ZINC000009433809	555204062	/nfs/dbraw/zinc/20/40/62/555204062.db2.gz	UBVRBNYYIXMABU-XMMPIXPASA-N	0	1	482.493	2.462	50	5		JEBAMN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3[nH]nc4ccccc43)CC2)c([N+](=O)[O-])c1	ZINC000018040660	556279062	/nfs/dbraw/zinc/27/90/62/556279062.db2.gz	QJBHZZPKWYUBIB-UHFFFAOYSA-N	0	1	486.554	2.464	50	5		JEBAMN
Cc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2)c1	ZINC000008692697	562954403	/nfs/dbraw/zinc/95/44/03/562954403.db2.gz	XBQABDFUGMHWGM-UHFFFAOYSA-N	0	1	472.479	2.046	50	5		JEBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CCOc3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000035871051	569718487	/nfs/dbraw/zinc/71/84/87/569718487.db2.gz	PDRLGCCGABIKKU-UPVQGACJSA-N	0	1	466.538	2.196	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000106018874	569853673	/nfs/dbraw/zinc/85/36/73/569853673.db2.gz	HJUNOOOQDQIEJY-LEWJJULVSA-N	0	1	482.518	2.282	50	5		JEBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000247427160	570068188	/nfs/dbraw/zinc/06/81/88/570068188.db2.gz	SWBRQCZOTHIJNB-LAUBAEHRSA-N	0	1	456.842	2.279	50	5		JEBAMN
O=C(COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003378917	194308871	/nfs/dbraw/zinc/30/88/71/194308871.db2.gz	MFXWUADHJWZHLS-HTAPYJJXSA-N	0	1	487.465	2.124	50	5		JEBAMN
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O)OC	ZINC000009488034	522533308	/nfs/dbraw/zinc/53/33/08/522533308.db2.gz	IVGIWPGRWSVHLN-XMMPIXPASA-N	0	1	482.493	2.462	50	5		JEBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000012531028	556000968	/nfs/dbraw/zinc/00/09/68/556000968.db2.gz	ZLRKPOTVTVVHFE-UHFFFAOYSA-N	0	1	461.905	2.070	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000105796319	569853464	/nfs/dbraw/zinc/85/34/64/569853464.db2.gz	SVAYYPFVOXXCKI-LONFEIEESA-N	0	1	482.518	2.282	50	5		JEBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000230046911	570044092	/nfs/dbraw/zinc/04/40/92/570044092.db2.gz	SWBRQCZOTHIJNB-UWJYYQICSA-N	0	1	456.842	2.279	50	5		JEBAMN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2[C@H](C)O1	ZINC000248016997	570072908	/nfs/dbraw/zinc/07/29/08/570072908.db2.gz	KUOCMCREKMYJIL-TXVUGPKNSA-N	0	1	450.451	2.403	50	5		JEBAMN
O=C(COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003378921	194308820	/nfs/dbraw/zinc/30/88/20/194308820.db2.gz	MFXWUADHJWZHLS-JTSKRJEESA-N	0	1	487.465	2.124	50	5		JEBAMN
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1cccc(C)c1C)C2=O)OC	ZINC000009433810	555204070	/nfs/dbraw/zinc/20/40/70/555204070.db2.gz	UBVRBNYYIXMABU-DEOSSOPVSA-N	0	1	482.493	2.462	50	5		JEBAMN
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O)OC	ZINC000009451213	555223730	/nfs/dbraw/zinc/22/37/30/555223730.db2.gz	OVICNQIKCAQRQL-QFIPXVFZSA-N	0	1	488.884	2.499	50	5		JEBAMN
CC(C)(CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1	ZINC000017854384	556269102	/nfs/dbraw/zinc/26/91/02/556269102.db2.gz	YFNAGCGTKRBULS-UHFFFAOYSA-N	0	1	462.528	2.236	50	5		JEBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	ZINC000101258763	569788184	/nfs/dbraw/zinc/78/81/84/569788184.db2.gz	RYTYBAMWBXKNBE-SUWCGCSTSA-N	0	1	452.492	2.273	50	5		JEBAMN
O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000040012115	569813809	/nfs/dbraw/zinc/81/38/09/569813809.db2.gz	MRYNSNGWUCAMFA-UHFFFAOYSA-N	0	1	457.575	2.358	50	5		JEBAMN
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O	ZINC000230039208	570043870	/nfs/dbraw/zinc/04/38/70/570043870.db2.gz	ZNBNXIPIZWJYMP-OFVILXPXSA-N	0	1	477.521	2.317	50	5		JEBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000245246040	570059049	/nfs/dbraw/zinc/05/90/49/570059049.db2.gz	GJSJKSKMEGFCOS-VKDGWMQASA-N	0	1	464.478	2.493	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O	ZINC000248336892	570077904	/nfs/dbraw/zinc/07/79/04/570077904.db2.gz	PENSRQGJEMXDOL-ZBAMRAGRSA-N	0	1	462.462	2.343	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000248340206	570078074	/nfs/dbraw/zinc/07/80/74/570078074.db2.gz	UKIMYBMMSAINOY-FROCWPDGSA-N	0	1	462.462	2.343	50	5		JEBAMN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)cc1	ZINC000012525456	519730720	/nfs/dbraw/zinc/73/07/20/519730720.db2.gz	YBYYKWQFISVZCB-UHFFFAOYSA-N	0	1	486.510	2.013	50	5		JEBAMN
CC(C)NS(=O)(=O)c1ccc(N2CCN(CCCOCC(F)(F)F)CC2)c([N+](=O)[O-])c1	ZINC000048287936	519733230	/nfs/dbraw/zinc/73/32/30/519733230.db2.gz	MTTORJXWTWGAFG-UHFFFAOYSA-N	0	1	468.498	2.373	50	5		JEBAMN
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1	ZINC000014943690	524391727	/nfs/dbraw/zinc/39/17/27/524391727.db2.gz	POOGYTSAJYJEBF-XXBNENTESA-N	0	1	465.466	2.390	50	5		JEBAMN
CS(=O)(=O)c1ccc([S@@](=O)CC(=O)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1	ZINC000006274905	554523903	/nfs/dbraw/zinc/52/39/03/554523903.db2.gz	QVBVXPYJZJASEJ-RUZDIDTESA-N	0	1	462.299	2.474	50	5		JEBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21	ZINC000009319117	555093616	/nfs/dbraw/zinc/09/36/16/555093616.db2.gz	JWEZFCMKECGVBU-SUWCGCSTSA-N	0	1	452.492	2.273	50	5		JEBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@]32C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-]	ZINC000016009728	556108506	/nfs/dbraw/zinc/10/85/06/556108506.db2.gz	GJSJKSKMEGFCOS-XHOYROJHSA-N	0	1	464.478	2.493	50	5		JEBAMN
Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(N2CCOCC2)N2CCOCC2)cc1	ZINC000034000480	569639453	/nfs/dbraw/zinc/63/94/53/569639453.db2.gz	UBDIJLLKPLFKJF-UHFFFAOYSA-N	0	1	476.555	2.367	50	5		JEBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12)N1CCOCC1	ZINC000035871017	569718458	/nfs/dbraw/zinc/71/84/58/569718458.db2.gz	MPANCGMMXCOHHF-GMAHTHKFSA-N	0	1	454.502	2.456	50	5		JEBAMN
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000035979679	569741635	/nfs/dbraw/zinc/74/16/35/569741635.db2.gz	HLCJFCHNLMPSTF-QGZVFWFLSA-N	0	1	453.415	2.232	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000106018866	569853711	/nfs/dbraw/zinc/85/37/11/569853711.db2.gz	HJUNOOOQDQIEJY-LONFEIEESA-N	0	1	482.518	2.282	50	5		JEBAMN
O=C(COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003378918	194308925	/nfs/dbraw/zinc/30/89/25/194308925.db2.gz	MFXWUADHJWZHLS-VGSWGCGISA-N	0	1	487.465	2.124	50	5		JEBAMN
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000036352293	524587216	/nfs/dbraw/zinc/58/72/16/524587216.db2.gz	HLCJFCHNLMPSTF-KRWDZBQOSA-N	0	1	453.415	2.232	50	5		JEBAMN
O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000008662206	526561640	/nfs/dbraw/zinc/56/16/40/526561640.db2.gz	FICMTSNJFLMXEZ-IBGZPJMESA-N	0	1	478.534	2.392	50	5		JEBAMN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000628998	553716628	/nfs/dbraw/zinc/71/66/28/553716628.db2.gz	TXNDFIQIRIYIEG-JOCHJYFZSA-N	0	1	472.542	2.183	50	5		JEBAMN
O=C(CSc1n[nH]c2nc3nc4ccccc4c-3nn12)OCN1C(=O)c2ccccc2C1=O	ZINC000020533914	555805901	/nfs/dbraw/zinc/80/59/01/555805901.db2.gz	DNPLUZFGSXNDQV-UHFFFAOYSA-N	0	1	459.447	2.043	50	5		JEBAMN
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000036329155	569763386	/nfs/dbraw/zinc/76/33/86/569763386.db2.gz	YFDMJGABDQTZBF-GBXCKJPGSA-N	0	1	463.494	2.419	50	5		JEBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000036329155	569763388	/nfs/dbraw/zinc/76/33/88/569763388.db2.gz	YFDMJGABDQTZBF-GBXCKJPGSA-N	0	1	463.494	2.419	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccc(C)cc21	ZINC000049721906	569850140	/nfs/dbraw/zinc/85/01/40/569850140.db2.gz	UZULCSSVBFAWMU-QLBZUPSYSA-N	0	1	462.462	2.343	50	5		JEBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000012416767	523930728	/nfs/dbraw/zinc/93/07/28/523930728.db2.gz	COZVZLVOMBYYJR-PGRDOPGGSA-N	0	1	469.885	2.194	50	5		JEBAMN
CN(C)CCNS(=O)(=O)c1ccc(N(C)Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1	ZINC000015140781	555880468	/nfs/dbraw/zinc/88/04/68/555880468.db2.gz	YIWQEJCIYMMGQE-UHFFFAOYSA-N	0	1	458.544	2.257	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2ccccc21	ZINC000016009617	556108055	/nfs/dbraw/zinc/10/80/55/556108055.db2.gz	SVAYYPFVOXXCKI-HZNUMKHLSA-N	0	1	482.518	2.282	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000245246047	570059055	/nfs/dbraw/zinc/05/90/55/570059055.db2.gz	GPOWBDWNQIAOEA-QPXQOZNCSA-N	0	1	450.451	2.184	50	5		JEBAMN
O=C(NCCCN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000008444282	554593883	/nfs/dbraw/zinc/59/38/83/554593883.db2.gz	SASZXTLWAOSRSM-UHFFFAOYSA-N	0	1	498.540	2.061	50	5		JEBAMN
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@@H]1CCCO1	ZINC000009493733	555276342	/nfs/dbraw/zinc/27/63/42/555276342.db2.gz	AHJDWCACIMMABG-KSSFIOAISA-N	0	1	477.495	2.236	50	5		JEBAMN
NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000009562414	555363194	/nfs/dbraw/zinc/36/31/94/555363194.db2.gz	IEWLGTZUTUKRBQ-UHFFFAOYSA-N	0	1	476.492	2.295	50	5		JEBAMN
O=C(CNC[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2	ZINC000020155087	555674963	/nfs/dbraw/zinc/67/49/63/555674963.db2.gz	ZSDDPDDREIXGRJ-MRXNPFEDSA-N	0	1	456.455	2.325	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2ccc(C)cc21	ZINC000016001989	556107108	/nfs/dbraw/zinc/10/71/08/556107108.db2.gz	UZULCSSVBFAWMU-GHCZAOPSSA-N	0	1	462.462	2.343	50	5		JEBAMN
CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	ZINC000016189190	556128312	/nfs/dbraw/zinc/12/83/12/556128312.db2.gz	BBUITGSXVVRHCM-UHFFFAOYSA-N	0	1	484.582	2.310	50	5		JEBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12)N1CCOCC1	ZINC000104915661	569846751	/nfs/dbraw/zinc/84/67/51/569846751.db2.gz	MPANCGMMXCOHHF-GGAORHGYSA-N	0	1	454.502	2.456	50	5		JEBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000245326415	570064622	/nfs/dbraw/zinc/06/46/22/570064622.db2.gz	JWEZFCMKECGVBU-AYMMHLMVSA-N	0	1	452.492	2.273	50	5		JEBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	ZINC000245326843	570064962	/nfs/dbraw/zinc/06/49/62/570064962.db2.gz	MBWTUNSTIINXQH-YKSBVNFPSA-N	0	1	479.493	2.144	50	5		JEBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12)N1CCOCC1	ZINC000247397650	570068165	/nfs/dbraw/zinc/06/81/65/570068165.db2.gz	MPANCGMMXCOHHF-JTHBVZDNSA-N	0	1	454.502	2.456	50	5		JEBAMN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2[C@@H](C)O1	ZINC000248017003	570072864	/nfs/dbraw/zinc/07/28/64/570072864.db2.gz	KUOCMCREKMYJIL-UOPMXTKVSA-N	0	1	450.451	2.403	50	5		JEBAMN
Cc1ccc(O)c(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)c2)c1	ZINC000009716316	194915167	/nfs/dbraw/zinc/91/51/67/194915167.db2.gz	INFGZBLNRMQBEC-UHFFFAOYSA-N	0	1	472.479	2.046	50	5		JEBAMN
O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000008662205	526574495	/nfs/dbraw/zinc/57/44/95/526574495.db2.gz	FICMTSNJFLMXEZ-LJQANCHMSA-N	0	1	478.534	2.392	50	5		JEBAMN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C)CC2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000628991	553716513	/nfs/dbraw/zinc/71/65/13/553716513.db2.gz	TXNDFIQIRIYIEG-QFIPXVFZSA-N	0	1	472.542	2.183	50	5		JEBAMN
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1cc(C)cc(C)c1)C2=O)OC	ZINC000009216099	554984156	/nfs/dbraw/zinc/98/41/56/554984156.db2.gz	SOJWUHWEZAIKSK-XMMPIXPASA-N	0	1	482.493	2.462	50	5		JEBAMN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2[C@H](C)O1	ZINC000009236651	555010657	/nfs/dbraw/zinc/01/06/57/555010657.db2.gz	KUOCMCREKMYJIL-PEYHYLNSSA-N	0	1	450.451	2.403	50	5		JEBAMN
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@H]1CCCO1	ZINC000009493735	555276390	/nfs/dbraw/zinc/27/63/90/555276390.db2.gz	AHJDWCACIMMABG-KBXCAEBGSA-N	0	1	477.495	2.236	50	5		JEBAMN
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@H]1CCCO1	ZINC000009493907	555277021	/nfs/dbraw/zinc/27/70/21/555277021.db2.gz	AHJDWCACIMMABG-RDTXWAMCSA-N	0	1	477.495	2.236	50	5		JEBAMN
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O)OC	ZINC000009580724	555386518	/nfs/dbraw/zinc/38/65/18/555386518.db2.gz	IVGIWPGRWSVHLN-DEOSSOPVSA-N	0	1	482.493	2.462	50	5		JEBAMN
CN(CCO)c1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c2nonc2c1[N+](=O)[O-]	ZINC000020108072	555642575	/nfs/dbraw/zinc/64/25/75/555642575.db2.gz	CBTDVLMGOBFVLH-UHFFFAOYSA-N	0	1	476.921	2.414	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)N[C@@]21C(=O)Nc2ccccc21	ZINC000227020155	570039741	/nfs/dbraw/zinc/03/97/41/570039741.db2.gz	KFTWQOYSBQMODJ-KEXUJGGDSA-N	0	1	450.451	2.184	50	5		JEBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12)N1CCOCC1	ZINC000230128017	570045238	/nfs/dbraw/zinc/04/52/38/570045238.db2.gz	MPANCGMMXCOHHF-FYYLOGMGSA-N	0	1	454.502	2.456	50	5		JEBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12)N1CCOCC1	ZINC000230128017	570045239	/nfs/dbraw/zinc/04/52/39/570045239.db2.gz	MPANCGMMXCOHHF-FYYLOGMGSA-N	0	1	454.502	2.456	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000245326450	570064645	/nfs/dbraw/zinc/06/46/45/570064645.db2.gz	KFTWQOYSBQMODJ-YWNPBTLJSA-N	0	1	450.451	2.184	50	5		JEBAMN
COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c([N+](=O)[O-])cc1OC	ZINC000002989184	194195971	/nfs/dbraw/zinc/19/59/71/194195971.db2.gz	DFABUFSOETYUEF-UHFFFAOYSA-N	0	1	459.440	2.455	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)N[C@]21C(=O)Nc2ccccc21	ZINC000008970318	554843511	/nfs/dbraw/zinc/84/35/11/554843511.db2.gz	KFTWQOYSBQMODJ-KGYLXKDPSA-N	0	1	450.451	2.184	50	5		JEBAMN
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(C)cc1)C2=O)OC	ZINC000009253739	555029062	/nfs/dbraw/zinc/02/90/62/555029062.db2.gz	LNLKLRGFUIVWEK-QHCPKHFHSA-N	0	1	468.466	2.154	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)N[C@]21C(=O)Nc2ccccc21	ZINC000009334738	555102186	/nfs/dbraw/zinc/10/21/86/555102186.db2.gz	GPOWBDWNQIAOEA-KGYLXKDPSA-N	0	1	450.451	2.184	50	5		JEBAMN
O=[N+]([O-])c1c2nonc2c(N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1NCCO	ZINC000020108073	555642643	/nfs/dbraw/zinc/64/26/43/555642643.db2.gz	OCRYDQNOOSBDCU-UHFFFAOYSA-N	0	1	462.894	2.390	50	5		JEBAMN
COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)CC2)cc1	ZINC000012554160	556038165	/nfs/dbraw/zinc/03/81/65/556038165.db2.gz	ARXQIWRXIMZRFS-UHFFFAOYSA-N	0	1	490.582	2.337	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2ccc(C)cc21	ZINC000018120856	556290262	/nfs/dbraw/zinc/29/02/62/556290262.db2.gz	UKIMYBMMSAINOY-XXPWESIGSA-N	0	1	462.462	2.343	50	5		JEBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CCOc3ccccc3)C[C@H]12)N1CCOCC1	ZINC000104915715	569846864	/nfs/dbraw/zinc/84/68/64/569846864.db2.gz	PDRLGCCGABIKKU-ISKFKSNPSA-N	0	1	466.538	2.196	50	5		JEBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	ZINC000106019440	569853651	/nfs/dbraw/zinc/85/36/51/569853651.db2.gz	RYTYBAMWBXKNBE-FBAVSBLXSA-N	0	1	452.492	2.273	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000248340571	570078065	/nfs/dbraw/zinc/07/80/65/570078065.db2.gz	UZULCSSVBFAWMU-CSNZXNIXSA-N	0	1	462.462	2.343	50	5		JEBAMN
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O	ZINC000014943748	521700248	/nfs/dbraw/zinc/70/02/48/521700248.db2.gz	ZNBNXIPIZWJYMP-BWKNWUBXSA-N	0	1	477.521	2.317	50	5		JEBAMN
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O)OC	ZINC000009451219	555223679	/nfs/dbraw/zinc/22/36/79/555223679.db2.gz	OVICNQIKCAQRQL-JOCHJYFZSA-N	0	1	488.884	2.499	50	5		JEBAMN
O=C(CNC[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2	ZINC000020155084	555674936	/nfs/dbraw/zinc/67/49/36/555674936.db2.gz	ZSDDPDDREIXGRJ-INIZCTEOSA-N	0	1	456.455	2.325	50	5		JEBAMN
COc1cccc(N2C(=O)CC(c3c4cc([N+](=O)[O-])ccc4oc(=O)c3C(N)=S)C2=O)c1	ZINC000101300998	569790366	/nfs/dbraw/zinc/79/03/66/569790366.db2.gz	YXPBVGKRRUVCKI-AWEZNQCLSA-N	0	1	453.432	2.391	50	5		JEBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	ZINC000245326842	570064930	/nfs/dbraw/zinc/06/49/30/570064930.db2.gz	MBWTUNSTIINXQH-HYBUGGRVSA-N	0	1	479.493	2.144	50	5		JEBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2C1	ZINC000245329205	570066168	/nfs/dbraw/zinc/06/61/68/570066168.db2.gz	YFDMJGABDQTZBF-HYBUGGRVSA-N	0	1	463.494	2.419	50	5		JEBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@H]2C1	ZINC000245329205	570066170	/nfs/dbraw/zinc/06/61/70/570066170.db2.gz	YFDMJGABDQTZBF-HYBUGGRVSA-N	0	1	463.494	2.419	50	5		JEBAMN
O=C(COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003378914	194308791	/nfs/dbraw/zinc/30/87/91/194308791.db2.gz	MFXWUADHJWZHLS-VGOFRKELSA-N	0	1	487.465	2.124	50	5		JEBAMN
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1	ZINC000014943692	524391913	/nfs/dbraw/zinc/39/19/13/524391913.db2.gz	POOGYTSAJYJEBF-AUSIDOKSSA-N	0	1	465.466	2.390	50	5		JEBAMN
CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4Cl)CC3)nn2)CC1	ZINC000015391650	555903317	/nfs/dbraw/zinc/90/33/17/555903317.db2.gz	IIENBPPGZBGXNX-UHFFFAOYSA-N	0	1	459.938	2.143	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2c1cccc2C	ZINC000016001944	556107316	/nfs/dbraw/zinc/10/73/16/556107316.db2.gz	PENSRQGJEMXDOL-DOGKRZLPSA-N	0	1	462.462	2.343	50	5		JEBAMN
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1O	ZINC000019799489	556376597	/nfs/dbraw/zinc/37/65/97/556376597.db2.gz	HJMFNYHJPZYNLB-UHFFFAOYSA-N	0	1	470.511	2.444	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@@]21C(=O)Nc2ccccc21	ZINC000035895166	569723216	/nfs/dbraw/zinc/72/32/16/569723216.db2.gz	HJUNOOOQDQIEJY-NSNOHRKYSA-N	0	1	482.518	2.282	50	5		JEBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000105795975	569853491	/nfs/dbraw/zinc/85/34/91/569853491.db2.gz	JWEZFCMKECGVBU-FBAVSBLXSA-N	0	1	452.492	2.273	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O	ZINC000248336889	570077877	/nfs/dbraw/zinc/07/78/77/570077877.db2.gz	PENSRQGJEMXDOL-AVDZWTPASA-N	0	1	462.462	2.343	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000248340572	570078053	/nfs/dbraw/zinc/07/80/53/570078053.db2.gz	UZULCSSVBFAWMU-PLLBJWBMSA-N	0	1	462.462	2.343	50	5		JEBAMN
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000058007137	195361866	/nfs/dbraw/zinc/36/18/66/195361866.db2.gz	XOGWKYAFCXXTCI-UHFFFAOYSA-N	0	1	465.440	2.002	50	5		JEBAMN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O	ZINC000012411107	521700436	/nfs/dbraw/zinc/70/04/36/521700436.db2.gz	ZNBNXIPIZWJYMP-PXDATVDWSA-N	0	1	477.521	2.317	50	5		JEBAMN
COc1cccc(N2C(=O)CC(c3c4cc([N+](=O)[O-])ccc4oc(=O)c3C(N)=S)C2=O)c1	ZINC000021658717	526139631	/nfs/dbraw/zinc/13/96/31/526139631.db2.gz	YXPBVGKRRUVCKI-CQSZACIVSA-N	0	1	453.432	2.391	50	5		JEBAMN
NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000012374508	526972583	/nfs/dbraw/zinc/97/25/83/526972583.db2.gz	KVVYMIKSWPHUSH-CZCWKNBQSA-N	0	1	497.895	2.144	50	5		JEBAMN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccco1	ZINC000013914405	555646430	/nfs/dbraw/zinc/64/64/30/555646430.db2.gz	LBVTXHVPRLZYTL-BXBHGGAKSA-N	0	1	485.474	2.014	50	5		JEBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@@]32C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-]	ZINC000227234550	570040143	/nfs/dbraw/zinc/04/01/43/570040143.db2.gz	GJSJKSKMEGFCOS-AZXNSQLWSA-N	0	1	464.478	2.493	50	5		JEBAMN
CS(=O)(=O)c1ccc([S@](=O)CC(=O)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1	ZINC000006274906	554523985	/nfs/dbraw/zinc/52/39/85/554523985.db2.gz	QVBVXPYJZJASEJ-VWLOTQADSA-N	0	1	462.299	2.474	50	5		JEBAMN
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@@H]1CCCO1	ZINC000009493734	555276449	/nfs/dbraw/zinc/27/64/49/555276449.db2.gz	AHJDWCACIMMABG-KDOFPFPSSA-N	0	1	477.495	2.236	50	5		JEBAMN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2[C@@H](C)O1	ZINC000102775102	569823592	/nfs/dbraw/zinc/82/35/92/569823592.db2.gz	KUOCMCREKMYJIL-WXVMNIFVSA-N	0	1	450.451	2.403	50	5		JEBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000245245719	570059043	/nfs/dbraw/zinc/05/90/43/570059043.db2.gz	GJSJKSKMEGFCOS-CMCWBKRRSA-N	0	1	464.478	2.493	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000248340204	570078087	/nfs/dbraw/zinc/07/80/87/570078087.db2.gz	UKIMYBMMSAINOY-CDNOPDGFSA-N	0	1	462.462	2.343	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@@]21C(=O)Nc2ccccc21	ZINC000009359475	555123044	/nfs/dbraw/zinc/12/30/44/555123044.db2.gz	SVAYYPFVOXXCKI-NSNOHRKYSA-N	0	1	482.518	2.282	50	5		JEBAMN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccco1	ZINC000013914403	555646334	/nfs/dbraw/zinc/64/63/34/555646334.db2.gz	LBVTXHVPRLZYTL-GANRHZMWSA-N	0	1	485.474	2.014	50	5		JEBAMN
CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)NCCN(C)C)cc3[N+](=O)[O-])CC2)c(F)c1	ZINC000015141022	555880387	/nfs/dbraw/zinc/88/03/87/555880387.db2.gz	QVLQKWDOKCEHQE-UHFFFAOYSA-N	0	1	493.561	2.103	50	5		JEBAMN
CCN1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2-c2ccc(OC)cc2OC)CC1	ZINC000015962796	556093430	/nfs/dbraw/zinc/09/34/30/556093430.db2.gz	BQQPCGDBUWCDQE-UHFFFAOYSA-N	0	1	453.499	2.449	50	5		JEBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2ccccc21	ZINC000016033883	556117963	/nfs/dbraw/zinc/11/79/63/556117963.db2.gz	HJUNOOOQDQIEJY-HZNUMKHLSA-N	0	1	482.518	2.282	50	5		JEBAMN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)OCO4)c2C1	ZINC000034809840	569661319	/nfs/dbraw/zinc/66/13/19/569661319.db2.gz	CYFDBNYVGFKWSI-UHFFFAOYSA-N	0	1	463.450	2.104	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000105796325	569853479	/nfs/dbraw/zinc/85/34/79/569853479.db2.gz	SVAYYPFVOXXCKI-LEWJJULVSA-N	0	1	482.518	2.282	50	5		JEBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CCOc3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000169677266	569868542	/nfs/dbraw/zinc/86/85/42/569868542.db2.gz	PDRLGCCGABIKKU-VWNXMTODSA-N	0	1	466.538	2.196	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)N[C@@]21C(=O)Nc2ccccc21	ZINC000227243469	570040218	/nfs/dbraw/zinc/04/02/18/570040218.db2.gz	GPOWBDWNQIAOEA-KEXUJGGDSA-N	0	1	450.451	2.184	50	5		JEBAMN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O	ZINC000230039214	570043932	/nfs/dbraw/zinc/04/39/32/570043932.db2.gz	ZNBNXIPIZWJYMP-SQJMNOBHSA-N	0	1	477.521	2.317	50	5		JEBAMN
CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@H]1C(=O)OCC	ZINC000245241943	570058627	/nfs/dbraw/zinc/05/86/27/570058627.db2.gz	UJBMHTQZNUGEQA-OUCADQQQSA-N	0	1	454.482	2.399	50	5		JEBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000245246048	570059152	/nfs/dbraw/zinc/05/91/52/570059152.db2.gz	GPOWBDWNQIAOEA-YWNPBTLJSA-N	0	1	450.451	2.184	50	5		JEBAMN
NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000247712546	570069020	/nfs/dbraw/zinc/06/90/20/570069020.db2.gz	KVVYMIKSWPHUSH-VIQGIDMASA-N	0	1	497.895	2.144	50	5		JEBAMN
CCOC(=O)c1ccc(-n2c(CN3CCN(C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1	ZINC000020155074	521461520	/nfs/dbraw/zinc/46/15/20/521461520.db2.gz	FJXJNRQEIAQXFX-UHFFFAOYSA-N	0	1	451.483	2.218	50	5		JEBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21	ZINC000016009602	556108130	/nfs/dbraw/zinc/10/81/30/556108130.db2.gz	JWEZFCMKECGVBU-ORGXJRBJSA-N	0	1	452.492	2.273	50	5		JEBAMN
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000024038297	556117726	/nfs/dbraw/zinc/11/77/26/556117726.db2.gz	OERADLRZLHOZJS-UHFFFAOYSA-N	0	1	462.528	2.327	50	5		JEBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CCOc3ccccc3)C[C@H]12)N1CCOCC1	ZINC000104915718	569846965	/nfs/dbraw/zinc/84/69/65/569846965.db2.gz	PDRLGCCGABIKKU-LADGPHEKSA-N	0	1	466.538	2.196	50	5		JEBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2C1	ZINC000245329209	570066193	/nfs/dbraw/zinc/06/61/93/570066193.db2.gz	YFDMJGABDQTZBF-YKSBVNFPSA-N	0	1	463.494	2.419	50	5		JEBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@H]2C1	ZINC000245329209	570066195	/nfs/dbraw/zinc/06/61/95/570066195.db2.gz	YFDMJGABDQTZBF-YKSBVNFPSA-N	0	1	463.494	2.419	50	5		JEBAMN