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)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000009907930	195018828	/nfs/dbraw/zinc/01/88/28/195018828.db2.gz	PCNVRQBDNZNIDA-UHFFFAOYSA-N	-1	3	492.488	3.579	50	5		JHBAHM
CCOC(=O)c1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000009364494	555124898	/nfs/dbraw/zinc/12/48/98/555124898.db2.gz	VKZNOAVAGHKALR-UHFFFAOYSA-N	-1	3	487.519	3.606	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000017917250	556271430	/nfs/dbraw/zinc/27/14/30/556271430.db2.gz	URRNKCCGLYISGN-ZLNRFVROSA-N	-1	3	493.447	3.802	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000017971334	556273838	/nfs/dbraw/zinc/27/38/38/556273838.db2.gz	CEFWHDCPWNQIKV-ZRBLBEILSA-N	-1	3	475.457	3.663	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)ccc2C)cc1	ZINC000089651327	569719452	/nfs/dbraw/zinc/71/94/52/569719452.db2.gz	DTCHMSGMGSGUSP-UHFFFAOYSA-N	-1	3	471.491	3.974	50	5		JHBAHM
COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1	ZINC000101075491	569781506	/nfs/dbraw/zinc/78/15/06/569781506.db2.gz	OHQNDLZFMYZILX-ZRBLBEILSA-N	-1	3	475.457	3.663	50	5		JHBAHM
COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1	ZINC000102734112	569818433	/nfs/dbraw/zinc/81/84/33/569818433.db2.gz	OHQNDLZFMYZILX-YTFSRNRJSA-N	-1	3	475.457	3.663	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102748662	569820390	/nfs/dbraw/zinc/82/03/90/569820390.db2.gz	CEFWHDCPWNQIKV-DNVJHFABSA-N	-1	3	475.457	3.663	50	5		JHBAHM
O=C([N-]c1nnc(CCS(=O)(=O)c2ccc3ccccc3c2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000002911778	527535182	/nfs/dbraw/zinc/53/51/82/527535182.db2.gz	OSDFKZJKQHGIJK-UHFFFAOYSA-N	-1	3	468.516	3.868	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000009330878	555100817	/nfs/dbraw/zinc/10/08/17/555100817.db2.gz	SNAIXWGWRZKBQP-NJDAHSKKSA-N	-1	3	460.402	3.554	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1	ZINC000009635341	555342567	/nfs/dbraw/zinc/34/25/67/555342567.db2.gz	OMHSZCQCUATNQK-UHFFFAOYSA-N	-1	3	471.491	3.974	50	5		JHBAHM
CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000012539748	556013071	/nfs/dbraw/zinc/01/30/71/556013071.db2.gz	HLUSLNLULBHURX-UHFFFAOYSA-N	-1	3	459.355	3.844	50	5		JHBAHM
Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(N2CCCC2)n1	ZINC000015838399	556022015	/nfs/dbraw/zinc/02/20/15/556022015.db2.gz	DFDKJHPTPNNEJY-UHFFFAOYSA-N	-1	3	454.512	3.838	50	5		JHBAHM
CCCNC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C	ZINC000096203859	569737892	/nfs/dbraw/zinc/73/78/92/569737892.db2.gz	CPXFPMVRPYNBRE-CQSZACIVSA-N	-1	3	495.602	3.864	50	5		JHBAHM
CC(=O)c1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1	ZINC000101621235	569801824	/nfs/dbraw/zinc/80/18/24/569801824.db2.gz	LHOPYEDKVQLXMD-FYYLOGMGSA-N	-1	3	454.442	3.580	50	5		JHBAHM
CC[C@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C	ZINC000096203631	569737731	/nfs/dbraw/zinc/73/77/31/569737731.db2.gz	FBNIDUCCFULTMC-AWEZNQCLSA-N	-1	3	495.602	3.862	50	5		JHBAHM
O=C(N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	ZINC000001446563	194122582	/nfs/dbraw/zinc/12/25/82/194122582.db2.gz	OBMQWQDMDTZWHF-AWEZNQCLSA-N	-1	3	463.730	3.713	50	5		JHBAHM
O=C(N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]	ZINC000003184052	194235848	/nfs/dbraw/zinc/23/58/48/194235848.db2.gz	ZYWXGHFRZAHBMW-CQSZACIVSA-N	-1	3	463.730	3.713	50	5		JHBAHM
O=C(COc1ccc(Cl)cc1Cl)[N-]N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O	ZINC000008427175	554582492	/nfs/dbraw/zinc/58/24/92/554582492.db2.gz	CIJWSAIDFWWBJJ-UHFFFAOYSA-N	-1	3	460.229	3.761	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000009234669	555008635	/nfs/dbraw/zinc/00/86/35/555008635.db2.gz	HVSLJCNNKSPPCA-NJDAHSKKSA-N	-1	3	460.402	3.554	50	5		JHBAHM
Cc1onc(C(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)c1COc1ccc([N+](=O)[O-])cc1	ZINC000013641639	555547862	/nfs/dbraw/zinc/54/78/62/555547862.db2.gz	QVLOOSFETRIDKY-UHFFFAOYSA-N	-1	3	488.503	3.736	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000018037001	556278370	/nfs/dbraw/zinc/27/83/70/556278370.db2.gz	HVSLJCNNKSPPCA-QHAWAJNXSA-N	-1	3	460.402	3.554	50	5		JHBAHM
CC(=O)c1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1	ZINC000018192110	556301218	/nfs/dbraw/zinc/30/12/18/556301218.db2.gz	LHOPYEDKVQLXMD-GGAORHGYSA-N	-1	3	454.442	3.580	50	5		JHBAHM
O=C([N-]c1cc([N+](=O)[O-])ccc1[N+](=O)[O-])c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[N+](=O)[O-])cc1	ZINC000029747389	556356552	/nfs/dbraw/zinc/35/65/52/556356552.db2.gz	JGOXQYKGGGTEKB-UHFFFAOYSA-N	-1	3	496.348	3.824	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000143602951	569867600	/nfs/dbraw/zinc/86/76/00/569867600.db2.gz	IIKLQEGSDUZIGC-RBZQAINGSA-N	-1	3	489.484	3.972	50	5		JHBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccc(Cn2cc(Br)cn2)cc1	ZINC000020601962	555842593	/nfs/dbraw/zinc/84/25/93/555842593.db2.gz	YKZRSHXJWDTXBY-UHFFFAOYSA-N	-1	3	460.313	3.729	50	5		JHBAHM
O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000017907616	556270734	/nfs/dbraw/zinc/27/07/34/556270734.db2.gz	HMDPVPZHWVLREW-OAQYLSRUSA-N	-1	3	484.534	3.556	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000227235960	570040121	/nfs/dbraw/zinc/04/01/21/570040121.db2.gz	HVSLJCNNKSPPCA-PCCBWWKXSA-N	-1	3	460.402	3.554	50	5		JHBAHM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000238900866	570047507	/nfs/dbraw/zinc/04/75/07/570047507.db2.gz	KLZMKBDOVNSZSV-ZRBLBEILSA-N	-1	3	459.458	3.963	50	5		JHBAHM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1OC)c1cccc([N+](=O)[O-])c1	ZINC000008868273	554761990	/nfs/dbraw/zinc/76/19/90/554761990.db2.gz	CNYMFFDBNQFGIQ-CQSZACIVSA-N	-1	3	477.322	3.883	50	5		JHBAHM
Cc1nn(Cc2c(C)onc2C(=O)[N-]c2ccc(N3CCCCC3)c3nonc32)c(C)c1[N+](=O)[O-]	ZINC000013961449	555665881	/nfs/dbraw/zinc/66/58/81/555665881.db2.gz	ZTWRDKJNRHCCJX-UHFFFAOYSA-N	-1	3	480.485	3.532	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000013135508	556366576	/nfs/dbraw/zinc/36/65/76/556366576.db2.gz	RDUFDBNIYJRLFM-UHFFFAOYSA-N	-1	3	471.491	3.594	50	5		JHBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1C(C)C	ZINC000096203590	569737625	/nfs/dbraw/zinc/73/76/25/569737625.db2.gz	PSYOJXYXSMSJNQ-AWEZNQCLSA-N	-1	3	481.575	3.688	50	5		JHBAHM
Cc1c(C(=O)NC(C)C)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C	ZINC000096203661	569737782	/nfs/dbraw/zinc/73/77/82/569737782.db2.gz	WVODEBLOPYSXIL-UHFFFAOYSA-N	-1	3	495.602	3.862	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101098111	569782452	/nfs/dbraw/zinc/78/24/52/569782452.db2.gz	HTCXICINKGOFAI-VXNXHJTFSA-N	-1	3	489.484	3.972	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102750900	569820888	/nfs/dbraw/zinc/82/08/88/569820888.db2.gz	FDRVSJNOHWSSMY-DNVJHFABSA-N	-1	3	493.447	3.802	50	5		JHBAHM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1OC)c1cccc([N+](=O)[O-])c1	ZINC000008868271	520888763	/nfs/dbraw/zinc/88/87/63/520888763.db2.gz	CNYMFFDBNQFGIQ-AWEZNQCLSA-N	-1	3	477.322	3.883	50	5		JHBAHM
CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000015277486	555892843	/nfs/dbraw/zinc/89/28/43/555892843.db2.gz	NDSWRWIPHQUEAF-UHFFFAOYSA-N	-1	3	490.494	3.974	50	5		JHBAHM
COc1cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(OC)c1OC	ZINC000027527496	556288059	/nfs/dbraw/zinc/28/80/59/556288059.db2.gz	ZNDZNNPUGQRKFK-UHFFFAOYSA-N	-1	3	490.472	3.690	50	5		JHBAHM
CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000057222904	569594712	/nfs/dbraw/zinc/59/47/12/569594712.db2.gz	SPLSEGUEGQBVDE-UHFFFAOYSA-N	-1	3	478.505	3.939	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101137483	569784295	/nfs/dbraw/zinc/78/42/95/569784295.db2.gz	FDRVSJNOHWSSMY-ZRBLBEILSA-N	-1	3	493.447	3.802	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102738669	569818906	/nfs/dbraw/zinc/81/89/06/569818906.db2.gz	IIKLQEGSDUZIGC-WXFUMESZSA-N	-1	3	489.484	3.972	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000217985540	569882373	/nfs/dbraw/zinc/88/23/73/569882373.db2.gz	OYBIPZLORQVUKO-PWRODBHTSA-N	-1	3	460.402	3.554	50	5		JHBAHM
COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c([N+](=O)[O-])cc1OC	ZINC000001114933	194029359	/nfs/dbraw/zinc/02/93/59/194029359.db2.gz	LJEOYJLSBIPQAZ-UHFFFAOYSA-N	-1	3	471.491	3.974	50	5		JHBAHM
O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccccc1[N+](=O)[O-]	ZINC000009908171	195019191	/nfs/dbraw/zinc/01/91/91/195019191.db2.gz	GBLXKPWCHMLUPW-UHFFFAOYSA-N	-1	3	450.274	3.579	50	5		JHBAHM
O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccccc1[N+](=O)[O-]	ZINC000009908171	195019194	/nfs/dbraw/zinc/01/91/94/195019194.db2.gz	GBLXKPWCHMLUPW-UHFFFAOYSA-N	-1	3	450.274	3.579	50	5		JHBAHM
COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000027527595	556288889	/nfs/dbraw/zinc/28/88/89/556288889.db2.gz	RTOIVWAUVJCGFH-UHFFFAOYSA-N	-1	3	460.446	3.681	50	5		JHBAHM
CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000101234434	569787782	/nfs/dbraw/zinc/78/77/82/569787782.db2.gz	DECWLHVNAHLOPI-ZRBLBEILSA-N	-1	3	472.457	3.604	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000137608269	569865038	/nfs/dbraw/zinc/86/50/38/569865038.db2.gz	URRNKCCGLYISGN-YTFSRNRJSA-N	-1	3	493.447	3.802	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000217393016	569880032	/nfs/dbraw/zinc/88/00/32/569880032.db2.gz	ABYRMNMCPPHIFQ-PWRODBHTSA-N	-1	3	460.402	3.554	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000245309040	570062876	/nfs/dbraw/zinc/06/28/76/570062876.db2.gz	ABYRMNMCPPHIFQ-QHAWAJNXSA-N	-1	3	460.402	3.554	50	5		JHBAHM
Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000002913563	525894729	/nfs/dbraw/zinc/89/47/29/525894729.db2.gz	UAIMYJNFYCKVFC-UHFFFAOYSA-N	-1	3	455.883	3.954	50	5		JHBAHM
Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000002913563	525894737	/nfs/dbraw/zinc/89/47/37/525894737.db2.gz	UAIMYJNFYCKVFC-UHFFFAOYSA-N	-1	3	455.883	3.954	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000009191290	554963406	/nfs/dbraw/zinc/96/34/06/554963406.db2.gz	OYBIPZLORQVUKO-NJDAHSKKSA-N	-1	3	460.402	3.554	50	5		JHBAHM
O=C([N-]c1nc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cs1)c1ccc([N+](=O)[O-])o1	ZINC000009404340	555162740	/nfs/dbraw/zinc/16/27/40/555162740.db2.gz	NSSHVQGBKVNVEA-UHFFFAOYSA-N	-1	3	476.408	3.774	50	5		JHBAHM
COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1	ZINC000017721337	556264601	/nfs/dbraw/zinc/26/46/01/556264601.db2.gz	OHQNDLZFMYZILX-ZLNRFVROSA-N	-1	3	475.457	3.663	50	5		JHBAHM
COc1cc([N-]C(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1	ZINC000000855933	553800435	/nfs/dbraw/zinc/80/04/35/553800435.db2.gz	XLQMPAMLJYRGRV-UHFFFAOYSA-N	-1	3	458.356	3.979	50	5		JHBAHM
O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cccc([N+](=O)[O-])c1	ZINC000009235829	555009661	/nfs/dbraw/zinc/00/96/61/555009661.db2.gz	ODCUPPKYNFDCDB-UHFFFAOYSA-N	-1	3	450.274	3.579	50	5		JHBAHM
O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cccc([N+](=O)[O-])c1	ZINC000009235829	555009663	/nfs/dbraw/zinc/00/96/63/555009663.db2.gz	ODCUPPKYNFDCDB-UHFFFAOYSA-N	-1	3	450.274	3.579	50	5		JHBAHM
CCOC(=O)c1ccc(NC(=O)CSc2nnc([N-]C(=O)c3cccc([N+](=O)[O-])c3)s2)cc1	ZINC000009369121	555132702	/nfs/dbraw/zinc/13/27/02/555132702.db2.gz	RJACLEOUYPIWOH-UHFFFAOYSA-N	-1	3	487.519	3.606	50	5		JHBAHM
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000009381685	555145445	/nfs/dbraw/zinc/14/54/45/555145445.db2.gz	LQWGJSJEKBXEFB-UHFFFAOYSA-N	-1	3	494.485	3.793	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(NCCCn3nc(C)cc3C)c([N+](=O)[O-])c2)cc1	ZINC000009509645	555297742	/nfs/dbraw/zinc/29/77/42/555297742.db2.gz	OUKANQSRCAKVNK-UHFFFAOYSA-N	-1	3	459.528	3.720	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018143130	556293692	/nfs/dbraw/zinc/29/36/92/556293692.db2.gz	IIKLQEGSDUZIGC-VXNXHJTFSA-N	-1	3	489.484	3.972	50	5		JHBAHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1cccc(Br)c1	ZINC000062577394	569611527	/nfs/dbraw/zinc/61/15/27/569611527.db2.gz	LKUFTUIXTUANCL-MRXNPFEDSA-N	-1	3	471.329	3.557	50	5		JHBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N1CCC[C@@H](C2OCCO2)C1	ZINC000069232324	569692599	/nfs/dbraw/zinc/69/25/99/569692599.db2.gz	YWVFABYDVOBLDG-CQSZACIVSA-N	-1	3	467.931	3.638	50	5		JHBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1CC	ZINC000096203553	569737561	/nfs/dbraw/zinc/73/75/61/569737561.db2.gz	OWAFMZQSWIGMPK-KBPBESRZSA-N	-1	3	481.575	3.517	50	5		JHBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1CC	ZINC000096203555	569737595	/nfs/dbraw/zinc/73/75/95/569737595.db2.gz	OWAFMZQSWIGMPK-UONOGXRCSA-N	-1	3	481.575	3.517	50	5		JHBAHM
Cc1c(C(=O)NC2CC2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C	ZINC000096203664	569737767	/nfs/dbraw/zinc/73/77/67/569737767.db2.gz	MTMOFHHWNATFER-UHFFFAOYSA-N	-1	3	493.586	3.616	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000217411065	569880004	/nfs/dbraw/zinc/88/00/04/569880004.db2.gz	HVSLJCNNKSPPCA-PWRODBHTSA-N	-1	3	460.402	3.554	50	5		JHBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N1CCN(Cc2ccncc2)CC1	ZINC000020668863	195198456	/nfs/dbraw/zinc/19/84/56/195198456.db2.gz	IPVSYAVLZDXJFY-UHFFFAOYSA-N	-1	3	487.969	3.766	50	5		JHBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1Nc1ccc(OCCO)nc1	ZINC000058026282	195362995	/nfs/dbraw/zinc/36/29/95/195362995.db2.gz	WYESPWYAUNTVEQ-UHFFFAOYSA-N	-1	3	464.887	3.559	50	5		JHBAHM
CCOC(=O)c1c([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCN(C(=O)OCC)C2	ZINC000002921106	521410550	/nfs/dbraw/zinc/41/05/50/521410550.db2.gz	OCSXYGVKFDHRER-UHFFFAOYSA-N	-1	3	492.466	3.508	50	5		JHBAHM
O=C([N-]c1nnc2c(=O)[nH]c(=CC(=O)c3cccc([N+](=O)[O-])c3Cl)n12)Nc1ccc(Cl)cc1	ZINC000025585661	556226827	/nfs/dbraw/zinc/22/68/27/556226827.db2.gz	MHHNVQKEUYXLDG-UHFFFAOYSA-N	-1	3	488.247	3.811	50	5		JHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCCCNC(=O)c3cccc(O)c3)c([N+](=O)[O-])c2)c(C)c1	ZINC000062621057	569613455	/nfs/dbraw/zinc/61/34/55/569613455.db2.gz	ISMVYGAEOMMXEK-UHFFFAOYSA-N	-1	3	498.561	3.950	50	5		JHBAHM
CC[C@@H](C)NC(=O)c1nn(CC)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C	ZINC000096203552	569737608	/nfs/dbraw/zinc/73/76/08/569737608.db2.gz	OWAFMZQSWIGMPK-KGLIPLIRSA-N	-1	3	481.575	3.517	50	5		JHBAHM
Cc1c(C(=O)NC(C)C)nn(C(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C	ZINC000096203580	569737611	/nfs/dbraw/zinc/73/76/11/569737611.db2.gz	BWMXQGTVYWLKDA-UHFFFAOYSA-N	-1	3	481.575	3.545	50	5		JHBAHM
CC(=O)c1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1	ZINC000101621230	569801772	/nfs/dbraw/zinc/80/17/72/569801772.db2.gz	LHOPYEDKVQLXMD-GMAHTHKFSA-N	-1	3	454.442	3.580	50	5		JHBAHM
CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102765628	569822852	/nfs/dbraw/zinc/82/28/52/569822852.db2.gz	DECWLHVNAHLOPI-DNVJHFABSA-N	-1	3	472.457	3.604	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000137803162	569865280	/nfs/dbraw/zinc/86/52/80/569865280.db2.gz	OYBIPZLORQVUKO-PCCBWWKXSA-N	-1	3	460.402	3.554	50	5		JHBAHM
O=C(N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]	ZINC000003877949	194366211	/nfs/dbraw/zinc/36/62/11/194366211.db2.gz	ZYWXGHFRZAHBMW-AWEZNQCLSA-N	-1	3	463.730	3.713	50	5		JHBAHM
Cc1ccc(C(=O)[N-]c2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-]	ZINC000013371505	555392349	/nfs/dbraw/zinc/39/23/49/555392349.db2.gz	HRJDYNJLQDSUKZ-UHFFFAOYSA-N	-1	3	466.928	3.677	50	5		JHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H](C(C)C)N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000012557240	556044875	/nfs/dbraw/zinc/04/48/75/556044875.db2.gz	VZIKTNSIXAZEHC-HSZRJFAPSA-N	-1	3	476.599	3.781	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000137858464	569865413	/nfs/dbraw/zinc/86/54/13/569865413.db2.gz	LVEVNSILPXFQHJ-RBZQAINGSA-N	-1	3	489.484	3.972	50	5		JHBAHM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000238900865	570047532	/nfs/dbraw/zinc/04/75/32/570047532.db2.gz	KLZMKBDOVNSZSV-ZLNRFVROSA-N	-1	3	459.458	3.963	50	5		JHBAHM
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1nc2scc(-c3ccco3)c2c(=O)[n-]1	ZINC000009640677	555351085	/nfs/dbraw/zinc/35/10/85/555351085.db2.gz	TZXTUHKWLVASFW-UHFFFAOYSA-N	-1	3	496.457	3.584	50	5		JHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCN(Cc4ccco4)CC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000012591682	556087563	/nfs/dbraw/zinc/08/75/63/556087563.db2.gz	PUISFRUILOZWGD-UHFFFAOYSA-N	-1	3	470.551	3.928	50	5		JHBAHM
Cc1ccc(S(=O)(=O)CCc2nnc([N-]C(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1C	ZINC000027522779	556287045	/nfs/dbraw/zinc/28/70/45/556287045.db2.gz	GLQMZTVZILEWPU-UHFFFAOYSA-N	-1	3	460.537	3.640	50	5		JHBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1C(C)(C)C	ZINC000096203675	569737701	/nfs/dbraw/zinc/73/77/01/569737701.db2.gz	XHADNVMJTRTORQ-CQSZACIVSA-N	-1	3	495.602	3.864	50	5		JHBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1C(C)(C)C	ZINC000096203644	569737737	/nfs/dbraw/zinc/73/77/37/569737737.db2.gz	ZOTZSGIOCUQBRS-CYBMUJFWSA-N	-1	3	493.586	3.616	50	5		JHBAHM
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000102743877	569819476	/nfs/dbraw/zinc/81/94/76/569819476.db2.gz	LYPNGYSKAYHGLJ-YPAWHYETSA-N	-1	3	463.421	3.794	50	5		JHBAHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1	ZINC000048300266	522985506	/nfs/dbraw/zinc/98/55/06/522985506.db2.gz	LKMIRWVYJKBIIJ-NRFANRHFSA-N	-1	3	489.937	3.593	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C)cc1	ZINC000009631118	555459617	/nfs/dbraw/zinc/45/96/17/555459617.db2.gz	PVIKHEIJZTUQNH-UHFFFAOYSA-N	-1	3	483.502	3.924	50	5		JHBAHM
O=c1[n-]c(=O)n(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc([N+](=O)[O-])c1)N2	ZINC000013759166	555612276	/nfs/dbraw/zinc/61/22/76/555612276.db2.gz	KEMMLRHVBGJNKF-UHFFFAOYSA-N	-1	3	499.327	3.626	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000013777732	555617156	/nfs/dbraw/zinc/61/71/56/555617156.db2.gz	LVEVNSILPXFQHJ-VXNXHJTFSA-N	-1	3	489.484	3.972	50	5		JHBAHM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000012017584	555885309	/nfs/dbraw/zinc/88/53/09/555885309.db2.gz	KLZMKBDOVNSZSV-DNVJHFABSA-N	-1	3	459.458	3.963	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H]3COc4ccccc4O3)c([N+](=O)[O-])c2)cc1	ZINC000089453634	569718534	/nfs/dbraw/zinc/71/85/34/569718534.db2.gz	MRKIWUSFPKLHDY-KRWDZBQOSA-N	-1	3	471.491	3.656	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000217436462	569880000	/nfs/dbraw/zinc/88/00/00/569880000.db2.gz	BNEXLFTYXKUVTR-PCCBWWKXSA-N	-1	3	478.392	3.693	50	5		JHBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1C	ZINC000096278840	535179562	/nfs/dbraw/zinc/17/95/62/535179562.db2.gz	ROAMVFZRKONMFX-UHFFFAOYSA-N	-1	3	491.501	3.509	50	5		JHBAHM
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C	ZINC000009226022	554998604	/nfs/dbraw/zinc/99/86/04/554998604.db2.gz	ZRSJQBMCQFICFR-UHFFFAOYSA-N	-1	3	478.328	3.898	50	5		JHBAHM
O=C(CSc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1)N1CCCc2ccccc21	ZINC000009366350	555127658	/nfs/dbraw/zinc/12/76/58/555127658.db2.gz	SJZSBHKINQCMTN-UHFFFAOYSA-N	-1	3	455.521	3.770	50	5		JHBAHM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCCC1	ZINC000009426090	555190968	/nfs/dbraw/zinc/19/09/68/555190968.db2.gz	GOEDGXRQEAJTRD-UHFFFAOYSA-N	-1	3	453.904	3.684	50	5		JHBAHM
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000057238689	569594892	/nfs/dbraw/zinc/59/48/92/569594892.db2.gz	NHCVAPFYTFZFSR-UHFFFAOYSA-N	-1	3	464.478	3.549	50	5		JHBAHM
O=c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n-]c2scc(-c3cccs3)c21	ZINC000095949730	569731364	/nfs/dbraw/zinc/73/13/64/569731364.db2.gz	CBPWHWUAEGHSEU-UHFFFAOYSA-N	-1	3	453.549	3.944	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101095678	569782358	/nfs/dbraw/zinc/78/23/58/569782358.db2.gz	IIKLQEGSDUZIGC-SMIHKQSGSA-N	-1	3	489.484	3.972	50	5		JHBAHM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1	ZINC000102698566	569816195	/nfs/dbraw/zinc/81/61/95/569816195.db2.gz	VBVWROWRQDQKRV-DNVJHFABSA-N	-1	3	475.457	3.663	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000227249168	570040154	/nfs/dbraw/zinc/04/01/54/570040154.db2.gz	SNAIXWGWRZKBQP-PCCBWWKXSA-N	-1	3	460.402	3.554	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000245245197	570058960	/nfs/dbraw/zinc/05/89/60/570058960.db2.gz	BNEXLFTYXKUVTR-PWRODBHTSA-N	-1	3	478.392	3.693	50	5		JHBAHM
O=C(N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	ZINC000001446564	194122509	/nfs/dbraw/zinc/12/25/09/194122509.db2.gz	OBMQWQDMDTZWHF-CQSZACIVSA-N	-1	3	463.730	3.713	50	5		JHBAHM
COc1ccc([N-]C(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c([N+](=O)[O-])c1	ZINC000012137365	555914783	/nfs/dbraw/zinc/91/47/83/555914783.db2.gz	CWVANLFVSWCPNG-UHFFFAOYSA-N	-1	3	459.524	3.763	50	5		JHBAHM
CC[C@@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C	ZINC000096203630	569737678	/nfs/dbraw/zinc/73/76/78/569737678.db2.gz	FBNIDUCCFULTMC-CQSZACIVSA-N	-1	3	495.602	3.862	50	5		JHBAHM
CC[C@@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C	ZINC000096203666	569737765	/nfs/dbraw/zinc/73/77/65/569737765.db2.gz	QXVIEEPQRYCTQE-CYBMUJFWSA-N	-1	3	493.586	3.616	50	5		JHBAHM
O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2csc([N-]c3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000037426024	569789019	/nfs/dbraw/zinc/78/90/19/569789019.db2.gz	GGBKMVARVARYGE-AWEZNQCLSA-N	-1	3	455.496	3.557	50	5		JHBAHM
CC(=O)c1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1	ZINC000101621233	569801795	/nfs/dbraw/zinc/80/17/95/569801795.db2.gz	LHOPYEDKVQLXMD-JTHBVZDNSA-N	-1	3	454.442	3.580	50	5		JHBAHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1Cl	ZINC000003420265	194318400	/nfs/dbraw/zinc/31/84/00/194318400.db2.gz	WFSCMFGULGUTKT-UHFFFAOYSA-N	-1	3	457.891	3.865	50	5		JHBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N(C)CCC)nn1C(C)(C)C	ZINC000096203678	535179418	/nfs/dbraw/zinc/17/94/18/535179418.db2.gz	WNSJGRFRYITKOZ-UHFFFAOYSA-N	-1	3	495.602	3.817	50	5		JHBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1C(C)C	ZINC000096203589	569737541	/nfs/dbraw/zinc/73/75/41/569737541.db2.gz	PSYOJXYXSMSJNQ-CQSZACIVSA-N	-1	3	481.575	3.688	50	5		JHBAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1	ZINC000006088888	525609332	/nfs/dbraw/zinc/60/93/32/525609332.db2.gz	RSEXPRNNJXCOJN-UHFFFAOYSA-N	-1	3	456.436	3.865	50	5		JHBAHM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccco2)c1	ZINC000000854192	553799408	/nfs/dbraw/zinc/79/94/08/553799408.db2.gz	YWQQJAGKAQBCAJ-UHFFFAOYSA-N	-1	3	480.296	3.681	50	5		JHBAHM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000008868276	554761951	/nfs/dbraw/zinc/76/19/51/554761951.db2.gz	YJXGMAMNVDGZFL-OAHLLOKOSA-N	-1	3	477.322	3.883	50	5		JHBAHM
Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(Br)ccc1[O-]	ZINC000008914358	554807264	/nfs/dbraw/zinc/80/72/64/554807264.db2.gz	FOHIQFYVHABDSD-UHFFFAOYSA-N	-1	3	464.301	3.589	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000013145295	555341658	/nfs/dbraw/zinc/34/16/58/555341658.db2.gz	AFWIVLGXIWPRHS-UHFFFAOYSA-N	-1	3	457.464	3.665	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000018087339	556285964	/nfs/dbraw/zinc/28/59/64/556285964.db2.gz	OYBIPZLORQVUKO-QHAWAJNXSA-N	-1	3	460.402	3.554	50	5		JHBAHM
CCCNC(=O)c1nn(C(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C	ZINC000096203828	569737654	/nfs/dbraw/zinc/73/76/54/569737654.db2.gz	OTSNEZOUPRGKKC-UHFFFAOYSA-N	-1	3	481.575	3.690	50	5		JHBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1C(C)(C)C	ZINC000096203670	569737697	/nfs/dbraw/zinc/73/76/97/569737697.db2.gz	SRCMDXUODSPISL-UHFFFAOYSA-N	-1	3	493.586	3.571	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102753761	569821080	/nfs/dbraw/zinc/82/10/80/569821080.db2.gz	LVEVNSILPXFQHJ-WXFUMESZSA-N	-1	3	489.484	3.972	50	5		JHBAHM
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000143589327	569867594	/nfs/dbraw/zinc/86/75/94/569867594.db2.gz	LYPNGYSKAYHGLJ-BHDDXSALSA-N	-1	3	463.421	3.794	50	5		JHBAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(CN(C)C)cc3)cc2)cc1[N+](=O)[O-]	ZINC000015171758	555881776	/nfs/dbraw/zinc/88/17/76/555881776.db2.gz	ASBRCOJANIXWJH-UHFFFAOYSA-N	-1	3	482.562	3.696	50	5		JHBAHM
O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2csc([N-]c3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000037426023	569788971	/nfs/dbraw/zinc/78/89/71/569788971.db2.gz	GGBKMVARVARYGE-CQSZACIVSA-N	-1	3	455.496	3.557	50	5		JHBAHM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000217389886	569879997	/nfs/dbraw/zinc/87/99/97/569879997.db2.gz	KFACZZMHGZERSN-YPAWHYETSA-N	-1	3	474.429	3.863	50	5		JHBAHM
CC(C)(C)c1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)OC3	ZINC000001301803	194082929	/nfs/dbraw/zinc/08/29/29/194082929.db2.gz	XASMPBVWRBZDQI-UHFFFAOYSA-N	-1	3	456.524	3.899	50	5		JHBAHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1cccc(Br)c1	ZINC000062577392	569611626	/nfs/dbraw/zinc/61/16/26/569611626.db2.gz	LKUFTUIXTUANCL-INIZCTEOSA-N	-1	3	471.329	3.557	50	5		JHBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1CC	ZINC000096203554	569737614	/nfs/dbraw/zinc/73/76/14/569737614.db2.gz	OWAFMZQSWIGMPK-ZIAGYGMSSA-N	-1	3	481.575	3.517	50	5		JHBAHM
COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1	ZINC000102734115	569818455	/nfs/dbraw/zinc/81/84/55/569818455.db2.gz	OHQNDLZFMYZILX-DNVJHFABSA-N	-1	3	475.457	3.663	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000245245196	570058895	/nfs/dbraw/zinc/05/88/95/570058895.db2.gz	BNEXLFTYXKUVTR-NJDAHSKKSA-N	-1	3	478.392	3.693	50	5		JHBAHM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)cc1OC)c1cccc([N+](=O)[O-])c1	ZINC000012413216	520888268	/nfs/dbraw/zinc/88/82/68/520888268.db2.gz	QZDXMYNLYXNJLT-INIZCTEOSA-N	-1	3	456.904	3.538	50	5		JHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H](C(C)C)N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000012557241	556045015	/nfs/dbraw/zinc/04/50/15/556045015.db2.gz	VZIKTNSIXAZEHC-QHCPKHFHSA-N	-1	3	476.599	3.781	50	5		JHBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1C(C)(C)C	ZINC000096203645	569737744	/nfs/dbraw/zinc/73/77/44/569737744.db2.gz	ZOTZSGIOCUQBRS-ZDUSSCGKSA-N	-1	3	493.586	3.616	50	5		JHBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1C(C)(C)C	ZINC000096203674	569737785	/nfs/dbraw/zinc/73/77/85/569737785.db2.gz	XHADNVMJTRTORQ-AWEZNQCLSA-N	-1	3	495.602	3.864	50	5		JHBAHM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000138597979	569866008	/nfs/dbraw/zinc/86/60/08/569866008.db2.gz	KLZMKBDOVNSZSV-YTFSRNRJSA-N	-1	3	459.458	3.963	50	5		JHBAHM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)cc1OC)c1cccc([N+](=O)[O-])c1	ZINC000012413218	520843140	/nfs/dbraw/zinc/84/31/40/520843140.db2.gz	QZDXMYNLYXNJLT-MRXNPFEDSA-N	-1	3	456.904	3.538	50	5		JHBAHM
O=C([N-]c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000009363705	555124287	/nfs/dbraw/zinc/12/42/87/555124287.db2.gz	YIFYEAWPGVKNJB-UHFFFAOYSA-N	-1	3	468.856	3.698	50	5		JHBAHM
CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000009381332	555143785	/nfs/dbraw/zinc/14/37/85/555143785.db2.gz	HHPLPGDWDRVEFE-UHFFFAOYSA-N	-1	3	464.459	3.784	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000137648326	569865107	/nfs/dbraw/zinc/86/51/07/569865107.db2.gz	CEFWHDCPWNQIKV-YTFSRNRJSA-N	-1	3	475.457	3.663	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000217393095	569879984	/nfs/dbraw/zinc/87/99/84/569879984.db2.gz	ABYRMNMCPPHIFQ-NJDAHSKKSA-N	-1	3	460.402	3.554	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000217436543	569880036	/nfs/dbraw/zinc/88/00/36/569880036.db2.gz	BNEXLFTYXKUVTR-QHAWAJNXSA-N	-1	3	478.392	3.693	50	5		JHBAHM
Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(N2CCCC2)n1	ZINC000015838403	556022048	/nfs/dbraw/zinc/02/20/48/556022048.db2.gz	BGBQNWKGLZULQJ-UHFFFAOYSA-N	-1	3	454.512	3.838	50	5		JHBAHM
O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000017907619	556270600	/nfs/dbraw/zinc/27/06/00/556270600.db2.gz	HMDPVPZHWVLREW-NRFANRHFSA-N	-1	3	484.534	3.556	50	5		JHBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1C(C)(C)C	ZINC000096203668	569737752	/nfs/dbraw/zinc/73/77/52/569737752.db2.gz	ZHAZSGABHXJZES-UHFFFAOYSA-N	-1	3	495.602	3.721	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000227026458	570039607	/nfs/dbraw/zinc/03/96/07/570039607.db2.gz	FDRVSJNOHWSSMY-YTFSRNRJSA-N	-1	3	493.447	3.802	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2C)cc1	ZINC000012599119	195044407	/nfs/dbraw/zinc/04/44/07/195044407.db2.gz	ORXGLAZAQYDMEP-UHFFFAOYSA-N	-1	3	455.492	3.894	50	5		JHBAHM
CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018032541	556278286	/nfs/dbraw/zinc/27/82/86/556278286.db2.gz	DECWLHVNAHLOPI-ZLNRFVROSA-N	-1	3	472.457	3.604	50	5		JHBAHM
COC(=O)c1cccc(Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2[N+](=O)[O-])c1	ZINC000089453642	569718449	/nfs/dbraw/zinc/71/84/49/569718449.db2.gz	YHBOLJSLCSPZEV-UHFFFAOYSA-N	-1	3	457.464	3.934	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000217846126	569881849	/nfs/dbraw/zinc/88/18/49/569881849.db2.gz	SNAIXWGWRZKBQP-PWRODBHTSA-N	-1	3	460.402	3.554	50	5		JHBAHM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-]	ZINC000009507562	555292269	/nfs/dbraw/zinc/29/22/69/555292269.db2.gz	SEEQNJKFUHZFRL-CCEZHUSRSA-N	-1	3	481.486	3.803	50	5		JHBAHM
Cc1c(C(=O)N2CCCC2)nn(C(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C	ZINC000096203606	569737667	/nfs/dbraw/zinc/73/76/67/569737667.db2.gz	VFXGLZRMLYWURZ-UHFFFAOYSA-N	-1	3	493.586	3.786	50	5		JHBAHM
CCCNC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C	ZINC000096203860	569737813	/nfs/dbraw/zinc/73/78/13/569737813.db2.gz	AVLJYGDEJWRXPE-UHFFFAOYSA-N	-1	3	495.602	3.864	50	5		JHBAHM
Cc1ccc(-c2cc([N-]C(=O)CN3CCN(c4ccc([N+](=O)[O-])c5cnccc54)CC3)on2)cc1	ZINC000036386127	569774174	/nfs/dbraw/zinc/77/41/74/569774174.db2.gz	ITUAFYQYZRLKHE-UHFFFAOYSA-N	-1	3	472.505	3.867	50	5		JHBAHM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1	ZINC000100887074	569774256	/nfs/dbraw/zinc/77/42/56/569774256.db2.gz	VBVWROWRQDQKRV-ZLNRFVROSA-N	-1	3	475.457	3.663	50	5		JHBAHM
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101112590	569783277	/nfs/dbraw/zinc/78/32/77/569783277.db2.gz	LYPNGYSKAYHGLJ-BDTNDASRSA-N	-1	3	463.421	3.794	50	5		JHBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1C(C)C	ZINC000106888839	569855870	/nfs/dbraw/zinc/85/58/70/569855870.db2.gz	GFCGQOHXLBTXBL-UHFFFAOYSA-N	-1	3	481.575	3.547	50	5		JHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000137880097	569865380	/nfs/dbraw/zinc/86/53/80/569865380.db2.gz	ABYRMNMCPPHIFQ-PCCBWWKXSA-N	-1	3	460.402	3.554	50	5		JHBAHM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1OC)c1cccc([N+](=O)[O-])c1	ZINC000012413220	520888109	/nfs/dbraw/zinc/88/81/09/520888109.db2.gz	IFNQVMSKZLYALG-SFHVURJKSA-N	-1	3	450.513	3.700	50	5		JHBAHM
COC(=O)c1c([N-]C(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCCC2	ZINC000013961445	521787493	/nfs/dbraw/zinc/78/74/93/521787493.db2.gz	QOYWPSKOQVNNKX-UHFFFAOYSA-N	-1	3	473.511	3.732	50	5		JHBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1cc(I)ccc1Cl	ZINC000008916805	554811405	/nfs/dbraw/zinc/81/14/05/554811405.db2.gz	VMNHRTYYNDYQMC-UHFFFAOYSA-N	-1	3	461.668	3.980	50	5		JHBAHM
COc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	ZINC000027527572	556288568	/nfs/dbraw/zinc/28/85/68/556288568.db2.gz	DWCNYZKJJMDPRW-UHFFFAOYSA-N	-1	3	460.446	3.681	50	5		JHBAHM
Cc1cc(CN2CCN(c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[N+](=O)[O-])CC2)on1	ZINC000057292148	569596032	/nfs/dbraw/zinc/59/60/32/569596032.db2.gz	UQTLLEIDAMELCG-UHFFFAOYSA-N	-1	3	485.566	3.631	50	5		JHBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N1CCC[C@H](C2OCCO2)C1	ZINC000069232320	569692495	/nfs/dbraw/zinc/69/24/95/569692495.db2.gz	YWVFABYDVOBLDG-AWEZNQCLSA-N	-1	3	467.931	3.638	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101127275	569783836	/nfs/dbraw/zinc/78/38/36/569783836.db2.gz	CEFWHDCPWNQIKV-ZLNRFVROSA-N	-1	3	475.457	3.663	50	5		JHBAHM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101164954	569785430	/nfs/dbraw/zinc/78/54/30/569785430.db2.gz	KFACZZMHGZERSN-BDTNDASRSA-N	-1	3	474.429	3.863	50	5		JHBAHM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000008868275	554762028	/nfs/dbraw/zinc/76/20/28/554762028.db2.gz	YJXGMAMNVDGZFL-HNNXBMFYSA-N	-1	3	477.322	3.883	50	5		JHBAHM
O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000014078942	555681096	/nfs/dbraw/zinc/68/10/96/555681096.db2.gz	ZDMPXQFESVZNME-UHFFFAOYSA-N	-1	3	481.534	3.713	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101237317	569787772	/nfs/dbraw/zinc/78/77/72/569787772.db2.gz	URRNKCCGLYISGN-ZRBLBEILSA-N	-1	3	493.447	3.802	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102766024	569822873	/nfs/dbraw/zinc/82/28/73/569822873.db2.gz	URRNKCCGLYISGN-DNVJHFABSA-N	-1	3	493.447	3.802	50	5		JHBAHM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000143607652	569867702	/nfs/dbraw/zinc/86/77/02/569867702.db2.gz	KFACZZMHGZERSN-BHDDXSALSA-N	-1	3	474.429	3.863	50	5		JHBAHM
COc1cc(NC(=O)CSc2n[n-]c(COc3cc(C)ccc3C)n2)c(C)cc1[N+](=O)[O-]	ZINC000016044563	556124634	/nfs/dbraw/zinc/12/46/34/556124634.db2.gz	XCCSQYTWQDEIMW-UHFFFAOYSA-N	-1	3	457.512	3.957	50	5		JHBAHM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1	ZINC000018163399	556296971	/nfs/dbraw/zinc/29/69/71/556296971.db2.gz	VBVWROWRQDQKRV-ZRBLBEILSA-N	-1	3	475.457	3.663	50	5		JHBAHM
CCCNC(=O)c1nn(C(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C	ZINC000096203831	569737659	/nfs/dbraw/zinc/73/76/59/569737659.db2.gz	LLIAQDHZFXUIIH-UHFFFAOYSA-N	-1	3	481.575	3.547	50	5		JHBAHM
CCCNC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C	ZINC000096203858	569737689	/nfs/dbraw/zinc/73/76/89/569737689.db2.gz	CPXFPMVRPYNBRE-AWEZNQCLSA-N	-1	3	495.602	3.864	50	5		JHBAHM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1	ZINC000137914490	569865419	/nfs/dbraw/zinc/86/54/19/569865419.db2.gz	VBVWROWRQDQKRV-YTFSRNRJSA-N	-1	3	475.457	3.663	50	5		JHBAHM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1OC)c1cccc([N+](=O)[O-])c1	ZINC000012413222	520842961	/nfs/dbraw/zinc/84/29/61/520842961.db2.gz	IFNQVMSKZLYALG-GOSISDBHSA-N	-1	3	450.513	3.700	50	5		JHBAHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000002843001	554373951	/nfs/dbraw/zinc/37/39/51/554373951.db2.gz	ARYCSENZWVECEE-UHFFFAOYSA-N	-1	3	455.492	3.976	50	5		JHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000018167434	556297359	/nfs/dbraw/zinc/29/73/59/556297359.db2.gz	SNAIXWGWRZKBQP-QHAWAJNXSA-N	-1	3	460.402	3.554	50	5		JHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCc3nnc4n3CCCCC4)c([N+](=O)[O-])c2)c(C)c1	ZINC000009112213	554899715	/nfs/dbraw/zinc/89/97/15/554899715.db2.gz	YUGZZOGVNUFQEW-UHFFFAOYSA-N	-1	3	470.555	3.942	50	5		JHBAHM
O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000011451345	555781423	/nfs/dbraw/zinc/78/14/23/555781423.db2.gz	YYEFLTVSQBGRQO-UHFFFAOYSA-N	-1	3	486.575	3.983	50	5		JHBAHM
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000018044186	556279516	/nfs/dbraw/zinc/27/95/16/556279516.db2.gz	LYPNGYSKAYHGLJ-VSKRKVRLSA-N	-1	3	463.421	3.794	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018120327	556290400	/nfs/dbraw/zinc/29/04/00/556290400.db2.gz	HTCXICINKGOFAI-SMIHKQSGSA-N	-1	3	489.484	3.972	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H]3COc4ccccc4O3)c([N+](=O)[O-])c2)cc1	ZINC000089453629	569718486	/nfs/dbraw/zinc/71/84/86/569718486.db2.gz	MRKIWUSFPKLHDY-QGZVFWFLSA-N	-1	3	471.491	3.656	50	5		JHBAHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1	ZINC000048300268	522985658	/nfs/dbraw/zinc/98/56/58/522985658.db2.gz	LKMIRWVYJKBIIJ-OAQYLSRUSA-N	-1	3	489.937	3.593	50	5		JHBAHM
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000009381504	555144546	/nfs/dbraw/zinc/14/45/46/555144546.db2.gz	SPPBXHUJEKFUBO-UHFFFAOYSA-N	-1	3	482.449	3.924	50	5		JHBAHM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000013758795	555611916	/nfs/dbraw/zinc/61/19/16/555611916.db2.gz	HTCXICINKGOFAI-RBZQAINGSA-N	-1	3	489.484	3.972	50	5		JHBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1	ZINC000012541759	556016508	/nfs/dbraw/zinc/01/65/08/556016508.db2.gz	ZXFCMCRZYIVHSN-UHFFFAOYSA-N	-1	3	455.492	3.894	50	5		JHBAHM
CN(C)Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000024811729	556156206	/nfs/dbraw/zinc/15/62/06/556156206.db2.gz	RSQJNVKEMGSRGE-UHFFFAOYSA-N	-1	3	454.508	3.710	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018124975	556291536	/nfs/dbraw/zinc/29/15/36/556291536.db2.gz	FDRVSJNOHWSSMY-ZLNRFVROSA-N	-1	3	493.447	3.802	50	5		JHBAHM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018178602	556298791	/nfs/dbraw/zinc/29/87/91/556298791.db2.gz	KFACZZMHGZERSN-VSKRKVRLSA-N	-1	3	474.429	3.863	50	5		JHBAHM
CC[C@H](C)NC(=O)c1nn(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C	ZINC000096203667	569737682	/nfs/dbraw/zinc/73/76/82/569737682.db2.gz	QXVIEEPQRYCTQE-ZDUSSCGKSA-N	-1	3	493.586	3.616	50	5		JHBAHM
Cc1ccccc1NC(=O)c1nc2ccccc2nc1C=C([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000025584882	556226456	/nfs/dbraw/zinc/22/64/56/556226456.db2.gz	KBBNUGVHNXOTMS-UHFFFAOYSA-N	-1	3	469.457	3.849	50	5		JHBAHM
COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101151153	569784746	/nfs/dbraw/zinc/78/47/46/569784746.db2.gz	LVEVNSILPXFQHJ-SMIHKQSGSA-N	-1	3	489.484	3.972	50	5		JHBAHM