smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc([N+](=O)[O-])c1	ZINC000432112528	939176508	/nfs/dbraw/zinc/17/65/08/939176508.db2.gz	MTTAHVAKGSTUBS-RNCFNFMXSA-N	-1	0	386.382	0.608	20	5		GCBDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000825996336	939217634	/nfs/dbraw/zinc/21/76/34/939217634.db2.gz	ZOBAHXBATZFFHF-YMTOWFKASA-N	-1	0	398.331	0.916	20	5		GCBDRM
C[C@H](NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1	ZINC000567211002	939360196	/nfs/dbraw/zinc/36/01/96/939360196.db2.gz	BRHLRKCCAZYZQU-JTQLQIEISA-N	-1	0	385.398	0.987	20	5		GCBDRM
CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000592423785	939800936	/nfs/dbraw/zinc/80/09/36/939800936.db2.gz	GTOHZIHSBCHKPU-ZDUSSCGKSA-N	-1	0	391.340	0.608	20	5		GCBDRM
Cn1nccc1[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000592468937	939801465	/nfs/dbraw/zinc/80/14/65/939801465.db2.gz	PBQAHWMVHFHTBF-CQSZACIVSA-N	-1	0	390.356	0.070	20	5		GCBDRM
O=C([O-])[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1	ZINC000595996114	939802549	/nfs/dbraw/zinc/80/25/49/939802549.db2.gz	WQERWIIVOGNFJY-CQSZACIVSA-N	-1	0	399.425	0.880	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)NC2(C(=O)[O-])CCOCC2)c([N+](=O)[O-])c1	ZINC000596000434	939802944	/nfs/dbraw/zinc/80/29/44/939802944.db2.gz	WOEXTTMXJRZQII-UHFFFAOYSA-N	-1	0	383.382	0.536	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cc([N+](=O)[O-])c1	ZINC000597160364	939803022	/nfs/dbraw/zinc/80/30/22/939803022.db2.gz	BATDJLVNIKYBPT-CYBMUJFWSA-N	-1	0	386.382	0.608	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CCOCC1	ZINC000597162941	939803656	/nfs/dbraw/zinc/80/36/56/939803656.db2.gz	YMEQHFLINXKZPZ-INIZCTEOSA-N	-1	0	393.352	0.316	20	5		GCBDRM
CN(C)C(=O)Cn1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nn1	ZINC000600876417	939806143	/nfs/dbraw/zinc/80/61/43/939806143.db2.gz	QQBFZANWVDVCIV-MRXNPFEDSA-N	-1	0	390.356	0.004	20	5		GCBDRM
O=C([O-])C1=NO[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC001611362288	971012377	/nfs/dbraw/zinc/01/23/77/971012377.db2.gz	RZVAOCWIIHPSHG-CYBMUJFWSA-N	-1	0	376.325	0.109	20	5		GCBDRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[nH]n3)s2)c([N+](=O)[O-])c1	ZINC000823644752	946460039	/nfs/dbraw/zinc/46/00/39/946460039.db2.gz	LUBAIZUQXMOIFS-UHFFFAOYSA-N	-1	0	398.342	0.940	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc([N+](=O)[O-])c1C	ZINC000826272623	947791964	/nfs/dbraw/zinc/79/19/64/947791964.db2.gz	SUYIGLXLXOAPLQ-UHFFFAOYSA-N	-1	0	391.369	0.839	20	5		GCBDRM
CC(=O)NCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC001602753585	971462976	/nfs/dbraw/zinc/46/29/76/971462976.db2.gz	UPLHRGWTTWFZOE-LLVKDONJSA-N	-1	0	379.369	0.996	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(n3ccnc3)C2)c1-c1nnn[n-]1	ZINC000826500342	948415367	/nfs/dbraw/zinc/41/53/67/948415367.db2.gz	UTELGGMQAGCHLY-UHFFFAOYSA-N	-1	0	376.358	0.217	20	5		GCBDRM
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001589561153	948809781	/nfs/dbraw/zinc/80/97/81/948809781.db2.gz	JAOFAWZBISXHLP-TZMCWYRMSA-N	-1	0	384.410	0.874	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2	ZINC001595278894	949955804	/nfs/dbraw/zinc/95/58/04/949955804.db2.gz	BHONEFURNVRCNV-SGTLLEGYSA-N	-1	0	391.380	0.605	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000262281781	950102204	/nfs/dbraw/zinc/10/22/04/950102204.db2.gz	ZGZCRMZFMXPCCQ-ZIAGYGMSSA-N	-1	0	397.409	0.539	20	5		GCBDRM
CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262878054	950181469	/nfs/dbraw/zinc/18/14/69/950181469.db2.gz	KWWNEWFDTINLTO-ZDUSSCGKSA-N	-1	0	385.398	0.681	20	5		GCBDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422579489	953424261	/nfs/dbraw/zinc/42/42/61/953424261.db2.gz	HQQJKCSSXGICTK-NEPJUHHUSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-]	ZINC000424255142	953436628	/nfs/dbraw/zinc/43/66/28/953436628.db2.gz	LOUDEKNWYYLJOS-NHYWBVRUSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-]	ZINC000424270518	953447272	/nfs/dbraw/zinc/44/72/72/953447272.db2.gz	XVDUOXIMWJJGPM-NHYWBVRUSA-N	-1	0	399.425	0.975	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC001594793513	953699997	/nfs/dbraw/zinc/69/99/97/953699997.db2.gz	LYZBAXZBDWDBKL-TXEJJXNPSA-N	-1	0	376.369	0.925	20	5		GCBDRM
CC(C)(C)CN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000595997392	953778773	/nfs/dbraw/zinc/77/87/73/953778773.db2.gz	LPUURQAIMCDGEO-UHFFFAOYSA-N	-1	0	387.414	0.832	20	5		GCBDRM
Cn1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000738404208	955240041	/nfs/dbraw/zinc/24/00/41/955240041.db2.gz	WITALILVJNODBC-UHFFFAOYSA-N	-1	0	387.352	0.364	20	5		GCBDRM
O=C([O-])C(=O)N1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1	ZINC000738516801	955245383	/nfs/dbraw/zinc/24/53/83/955245383.db2.gz	IEZNEFPAYOTWCS-UHFFFAOYSA-N	-1	0	376.369	0.564	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)n1	ZINC001594548771	955702862	/nfs/dbraw/zinc/70/28/62/955702862.db2.gz	SKKZQTLZHFIHFP-FZMZJTMJSA-N	-1	0	387.352	0.485	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594331606	958230009	/nfs/dbraw/zinc/23/00/09/958230009.db2.gz	RRBZHBXAPBINRM-GFCCVEGCSA-N	-1	0	385.398	0.647	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594331607	958230765	/nfs/dbraw/zinc/23/07/65/958230765.db2.gz	RRBZHBXAPBINRM-LBPRGKRZSA-N	-1	0	385.398	0.647	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cc2[N+](=O)[O-])CC1	ZINC001588496445	958682342	/nfs/dbraw/zinc/68/23/42/958682342.db2.gz	HNWICGVGBJBMFL-HDJSIYSDSA-N	-1	0	390.396	0.856	20	5		GCBDRM
C[C@@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1C(=O)[O-]	ZINC001573726482	960412251	/nfs/dbraw/zinc/41/22/51/960412251.db2.gz	NCNZZQYBLUVUEI-YMTOWFKASA-N	-1	0	375.337	0.903	20	5		GCBDRM
C[C@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1C(=O)[O-]	ZINC001573726479	960412870	/nfs/dbraw/zinc/41/28/70/960412870.db2.gz	NCNZZQYBLUVUEI-LKFCYVNXSA-N	-1	0	375.337	0.903	20	5		GCBDRM
COc1ccccc1C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)[O-]	ZINC000262070909	961428561	/nfs/dbraw/zinc/42/85/61/961428561.db2.gz	FITABWUYMGFWMP-ZDUSSCGKSA-N	-1	0	389.364	0.825	20	5		GCBDRM
O=C([O-])C1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1	ZINC000262749985	961847400	/nfs/dbraw/zinc/84/74/00/961847400.db2.gz	ILVAJDWPLQMCKQ-UHFFFAOYSA-N	-1	0	379.369	0.483	20	5		GCBDRM
CN(CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001573998207	961860424	/nfs/dbraw/zinc/86/04/24/961860424.db2.gz	POTKHASANDMZEH-OLZOCXBDSA-N	-1	0	385.398	0.585	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)n1	ZINC000262820649	961887124	/nfs/dbraw/zinc/88/71/24/961887124.db2.gz	VZFMPYSHRVRTGA-UHFFFAOYSA-N	-1	0	375.341	0.965	20	5		GCBDRM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262887621	961961471	/nfs/dbraw/zinc/96/14/71/961961471.db2.gz	MYOGBICPPHGNAQ-RYUDHWBXSA-N	-1	0	399.425	0.927	20	5		GCBDRM
O=C([O-])C1CCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1	ZINC001574656967	962472270	/nfs/dbraw/zinc/47/22/70/962472270.db2.gz	WQQAREXAHXCUBC-UHFFFAOYSA-N	-1	0	399.429	0.153	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-]	ZINC001574670206	962548699	/nfs/dbraw/zinc/54/86/99/962548699.db2.gz	ZRTOINRUXNFTAF-LBPRGKRZSA-N	-1	0	390.801	0.891	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC001574670190	962549091	/nfs/dbraw/zinc/54/90/91/962549091.db2.gz	ZFAQQYIMPNRONE-SECBINFHSA-N	-1	0	394.308	0.520	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	ZINC001574134920	962559982	/nfs/dbraw/zinc/55/99/82/962559982.db2.gz	ZOQGCFZKZFPZLI-HNNXBMFYSA-N	-1	0	386.382	0.562	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000422595864	968349300	/nfs/dbraw/zinc/34/93/00/968349300.db2.gz	QZEGUQUKVOGAHQ-NEPJUHHUSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000427675858	968370566	/nfs/dbraw/zinc/37/05/66/968370566.db2.gz	BDYPIAXKOJNPPO-RYUDHWBXSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000566212640	968427999	/nfs/dbraw/zinc/42/79/99/968427999.db2.gz	XIECCJJYLDJLSN-JTQLQIEISA-N	-1	0	385.398	0.368	20	5		GCBDRM
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000578506434	968467480	/nfs/dbraw/zinc/46/74/80/968467480.db2.gz	IUMZPYSBXYNMPY-AAEUAGOBSA-N	-1	0	387.352	0.485	20	5		GCBDRM
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000578506437	968467494	/nfs/dbraw/zinc/46/74/94/968467494.db2.gz	IUMZPYSBXYNMPY-YPMHNXCESA-N	-1	0	387.352	0.485	20	5		GCBDRM
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000593921633	968493369	/nfs/dbraw/zinc/49/33/69/968493369.db2.gz	MQYSQGXVLKIQLT-SNVBAGLBSA-N	-1	0	376.369	0.715	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1Cl	ZINC001605224218	972974325	/nfs/dbraw/zinc/97/43/25/972974325.db2.gz	AGHDBTOYKKKLKS-LLVKDONJSA-N	-1	0	376.774	0.880	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c(C)c1[N+](=O)[O-]	ZINC001605306637	973121911	/nfs/dbraw/zinc/12/19/11/973121911.db2.gz	UUTVRMTZTIMVEP-LBPRGKRZSA-N	-1	0	399.425	0.956	20	5		GCBDRM
C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-]	ZINC001603442531	973234352	/nfs/dbraw/zinc/23/43/52/973234352.db2.gz	FQYKFIPCTUZBDB-BXUZGUMPSA-N	-1	0	378.385	0.963	20	5		GCBDRM
C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-]	ZINC001603442943	973237161	/nfs/dbraw/zinc/23/71/61/973237161.db2.gz	NFPGOEJMAJSCHQ-GHMZBOCLSA-N	-1	0	385.398	0.442	20	5		GCBDRM
C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC001603442947	973237883	/nfs/dbraw/zinc/23/78/83/973237883.db2.gz	NFPGOEJMAJSCHQ-QWRGUYRKSA-N	-1	0	385.398	0.442	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC001604525691	973475595	/nfs/dbraw/zinc/47/55/95/973475595.db2.gz	AXFXMUOVQAPGLT-GTNSWQLSSA-N	-1	0	395.368	0.742	20	5		GCBDRM
O=C([O-])COCCOCCNC(=O)c1cc([N+](=O)[O-])ncc1Br	ZINC001606284821	973672263	/nfs/dbraw/zinc/67/22/63/973672263.db2.gz	NAJJUATUNSJJID-UHFFFAOYSA-N	-1	0	392.162	0.600	20	5		GCBDRM
COCCN(CCC(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC001604610613	973722814	/nfs/dbraw/zinc/72/28/14/973722814.db2.gz	XYAGFHJBAKERCK-UHFFFAOYSA-N	-1	0	375.403	0.773	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001604762755	973978311	/nfs/dbraw/zinc/97/83/11/973978311.db2.gz	ONCWSCNWZOJJIM-CMPLNLGQSA-N	-1	0	379.369	0.902	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC001604762788	973979378	/nfs/dbraw/zinc/97/93/78/973979378.db2.gz	RYEZECFWDHCSCX-CMPLNLGQSA-N	-1	0	379.369	0.902	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-]	ZINC001604762790	973979819	/nfs/dbraw/zinc/97/98/19/973979819.db2.gz	RYEZECFWDHCSCX-PWSUYJOCSA-N	-1	0	379.369	0.902	20	5		GCBDRM
O=C([O-])[C@@]1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1	ZINC001605698448	974116903	/nfs/dbraw/zinc/11/69/03/974116903.db2.gz	CZDZXIMQJAXBNT-QGZVFWFLSA-N	-1	0	378.385	0.077	20	5		GCBDRM
CC[C@@H](C)N(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000442745800	974118085	/nfs/dbraw/zinc/11/80/85/974118085.db2.gz	KQYANDULIOBAJS-LLVKDONJSA-N	-1	0	387.414	0.927	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])c1	ZINC000515165967	974296549	/nfs/dbraw/zinc/29/65/49/974296549.db2.gz	REUHDCCBGDZALM-SECBINFHSA-N	-1	0	381.370	0.739	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2cnccn2)CC1	ZINC000563934416	974541459	/nfs/dbraw/zinc/54/14/59/974541459.db2.gz	ACHFXXLYKYEQDX-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-]	ZINC000566735138	974620059	/nfs/dbraw/zinc/62/00/59/974620059.db2.gz	ATPQSHCVBLGHAU-MEBBXXQBSA-N	-1	0	386.382	0.909	20	5		GCBDRM
Cn1cnnc1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000569336588	974689073	/nfs/dbraw/zinc/68/90/73/974689073.db2.gz	CYDBGRGILURALJ-UHFFFAOYSA-N	-1	0	395.397	0.990	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000591652533	974971705	/nfs/dbraw/zinc/97/17/05/974971705.db2.gz	KFZGCTPNRGBIJH-KRWDZBQOSA-N	-1	0	379.369	0.807	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C(=O)[O-])C1	ZINC000595246527	974993806	/nfs/dbraw/zinc/99/38/06/974993806.db2.gz	JUYBASKFOJPKAQ-TZMCWYRMSA-N	-1	0	379.369	0.724	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O[C@H]1C(=O)[O-]	ZINC000600867805	975007118	/nfs/dbraw/zinc/00/71/18/975007118.db2.gz	VEBYQYASZJDURL-GIPNMCIBSA-N	-1	0	397.409	0.819	20	5		GCBDRM
CO[C@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@](C)(C(=O)[O-])C1	ZINC000600874306	975010251	/nfs/dbraw/zinc/01/02/51/975010251.db2.gz	OMDYJZPRGULCCN-PXAZEXFGSA-N	-1	0	379.369	0.724	20	5		GCBDRM
CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@](C)(C(=O)[O-])C1	ZINC000600876066	975010910	/nfs/dbraw/zinc/01/09/10/975010910.db2.gz	VKEJPQZUHRVYLR-NHYWBVRUSA-N	-1	0	386.382	0.703	20	5		GCBDRM
CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@@](C)(C(=O)[O-])C1	ZINC000600876064	975011153	/nfs/dbraw/zinc/01/11/53/975011153.db2.gz	VKEJPQZUHRVYLR-IAQYHMDHSA-N	-1	0	386.382	0.703	20	5		GCBDRM
CC(C)OC[C@H](CO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001591718546	975629259	/nfs/dbraw/zinc/62/92/59/975629259.db2.gz	QNLADSLLJBMOEB-NSHDSACASA-N	-1	0	376.387	0.699	20	5		GCBDRM
CCC[C@@](C)(NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736954275	978369334	/nfs/dbraw/zinc/36/93/34/978369334.db2.gz	JSSFALXSDGUINB-OAHLLOKOSA-N	-1	0	387.414	0.975	20	5		GCBDRM
CCC[C@](C)(NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736954274	978369441	/nfs/dbraw/zinc/36/94/41/978369441.db2.gz	JSSFALXSDGUINB-HNNXBMFYSA-N	-1	0	387.414	0.975	20	5		GCBDRM
COc1cc(OCC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1[N+](=O)[O-]	ZINC000818316390	978912003	/nfs/dbraw/zinc/91/20/03/978912003.db2.gz	DSIAHXRCDXVNBF-SNVBAGLBSA-N	-1	0	391.340	0.746	20	5		GCBDRM
C[C@@](CO)(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1	ZINC001592750348	979311499	/nfs/dbraw/zinc/31/14/99/979311499.db2.gz	KYJXISSFTODBHY-HNNXBMFYSA-N	-1	0	387.414	0.433	20	5		GCBDRM
O=C([O-])[C@H]1[C@@H]2CN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)C[C@@H]21	ZINC000849348676	979500177	/nfs/dbraw/zinc/50/01/77/979500177.db2.gz	LARFVFUWDDMPCV-JYAVWHMHSA-N	-1	0	397.409	0.383	20	5		GCBDRM
CCC[C@]1(C)C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001595615809	981638905	/nfs/dbraw/zinc/63/89/05/981638905.db2.gz	FZANBTRZYUZBDG-OAHLLOKOSA-N	-1	0	385.398	0.972	20	5		GCBDRM
CCCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC001595815674	982665964	/nfs/dbraw/zinc/66/59/64/982665964.db2.gz	CMWOYDIXAOQZII-NSHDSACASA-N	-1	0	387.414	0.927	20	5		GCBDRM
CCN1C[C@@H](S(=O)(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1=O	ZINC001596402357	983955374	/nfs/dbraw/zinc/95/53/74/983955374.db2.gz	LWFDXIQNMBCNFU-SWLSCSKDSA-N	-1	0	385.398	0.435	20	5		GCBDRM
CCOC(=O)N1CCN(C(=O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC001596651573	984680392	/nfs/dbraw/zinc/68/03/92/984680392.db2.gz	CKHGVCJJWHKZRO-UHFFFAOYSA-N	-1	0	381.341	0.973	20	5		GCBDRM
CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC001589024463	985035050	/nfs/dbraw/zinc/03/50/50/985035050.db2.gz	OFNMJUDDHUKFKD-OAHLLOKOSA-N	-1	0	387.348	0.771	20	5		GCBDRM
C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H](C(=O)[O-])O1	ZINC001599916429	985063724	/nfs/dbraw/zinc/06/37/24/985063724.db2.gz	GFRYVOCTGWRPEU-ZANVPECISA-N	-1	0	379.325	0.021	20	5		GCBDRM
CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001589041668	985108334	/nfs/dbraw/zinc/10/83/34/985108334.db2.gz	YIYHHRYPFNOKDM-UHFFFAOYSA-N	-1	0	385.398	0.924	20	5		GCBDRM
CC(=O)N1CCC(NC(=O)CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1	ZINC001589065654	985198728	/nfs/dbraw/zinc/19/87/28/985198728.db2.gz	ZYVCJHXHWNUUGL-GOSISDBHSA-N	-1	0	392.412	0.611	20	5		GCBDRM
CC(=O)N1CCN(C(=O)CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC001589079299	985236495	/nfs/dbraw/zinc/23/64/95/985236495.db2.gz	CLGYACDIVUZRQC-UHFFFAOYSA-N	-1	0	379.373	0.489	20	5		GCBDRM
CC(=O)N1CCN(C(=O)CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001589079262	985237082	/nfs/dbraw/zinc/23/70/82/985237082.db2.gz	AMBSYOFDLGWRQL-UHFFFAOYSA-N	-1	0	378.385	0.715	20	5		GCBDRM
CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001589079273	985237104	/nfs/dbraw/zinc/23/71/04/985237104.db2.gz	BBZWKEKZOWLCRE-SNVBAGLBSA-N	-1	0	393.352	0.529	20	5		GCBDRM
CC(=O)NC1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001589121229	985391734	/nfs/dbraw/zinc/39/17/34/985391734.db2.gz	MTALRHZSDWGMJS-JTQLQIEISA-N	-1	0	378.385	0.903	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC[S@@](=O)C1	ZINC001594555321	986284746	/nfs/dbraw/zinc/28/47/46/986284746.db2.gz	UNRJGFICKRXRNO-YGWIHHTISA-N	-1	0	376.412	0.682	20	5		GCBDRM
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001589398351	986551342	/nfs/dbraw/zinc/55/13/42/986551342.db2.gz	NMSNKNIJEHFUPN-LLVKDONJSA-N	-1	0	390.396	0.718	20	5		GCBDRM
C[C@H]1OCC[C@]12CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])CCO2	ZINC001594642381	986804909	/nfs/dbraw/zinc/80/49/09/986804909.db2.gz	JYZOSOCULJDAOV-BMIGLBTASA-N	-1	0	386.382	0.862	20	5		GCBDRM
C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC001594657914	986923204	/nfs/dbraw/zinc/92/32/04/986923204.db2.gz	JYFAOOUACLHHMA-MFKMUULPSA-N	-1	0	396.425	0.888	20	5		GCBDRM
CN(C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597982073	990049989	/nfs/dbraw/zinc/04/99/89/990049989.db2.gz	IELLSOQVVYHFRH-KLPPZKSPSA-N	-1	0	379.373	0.276	20	5		GCBDRM
CC(C)(CCC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[N+](=O)[O-]	ZINC001590656370	990353795	/nfs/dbraw/zinc/35/37/95/990353795.db2.gz	QXUJLDDIZLPUAJ-VTWZXRTESA-N	-1	0	376.431	0.749	20	5		GCBDRM
CN(C)C(=O)CN1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001598127486	990559624	/nfs/dbraw/zinc/55/96/24/990559624.db2.gz	AHIQFSDXPJTWGB-UHFFFAOYSA-N	-1	0	378.385	0.529	20	5		GCBDRM
CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](O)C(=O)[O-]	ZINC001590880006	990796748	/nfs/dbraw/zinc/79/67/48/990796748.db2.gz	ZTFBYALXIXYLBA-SECBINFHSA-N	-1	0	397.203	0.860	20	5		GCBDRM
CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001590935800	990957336	/nfs/dbraw/zinc/95/73/36/990957336.db2.gz	SVFKLVZVUXMXHR-UHFFFAOYSA-N	-1	0	385.398	0.782	20	5		GCBDRM
CN(CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598384910	991600181	/nfs/dbraw/zinc/60/01/81/991600181.db2.gz	NWTVYDBRULJAAW-CABZTGNLSA-N	-1	0	389.361	0.239	20	5		GCBDRM
CN(CC(=O)NC[C@H](O)CC(=O)[O-])c1cc(Br)ccc1[N+](=O)[O-]	ZINC001598392198	991642471	/nfs/dbraw/zinc/64/24/71/991642471.db2.gz	KYHLEWKNFOCPJI-SECBINFHSA-N	-1	0	390.190	0.745	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001598493993	992337949	/nfs/dbraw/zinc/33/79/49/992337949.db2.gz	IMUGCOVBBXNLLG-QWHCGFSZSA-N	-1	0	385.398	0.442	20	5		GCBDRM
CC(C)N(C)C(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])c(C(=O)[O-])n2)CC1	ZINC001591542041	992720647	/nfs/dbraw/zinc/72/06/47/992720647.db2.gz	BMWJIJCBKXYWCI-UHFFFAOYSA-N	-1	0	381.389	0.595	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1=O	ZINC001598561961	993097284	/nfs/dbraw/zinc/09/72/84/993097284.db2.gz	GLHJBWQWFLREHW-LBPRGKRZSA-N	-1	0	388.336	0.276	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1=O	ZINC001598565937	993144202	/nfs/dbraw/zinc/14/42/02/993144202.db2.gz	MALUMHMXNBLZCX-VIFPVBQESA-N	-1	0	395.752	0.303	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(NC[C@H](F)C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001598620093	993989443	/nfs/dbraw/zinc/98/94/43/993989443.db2.gz	QTVNAQLQBKCBTA-NSHDSACASA-N	-1	0	390.393	0.366	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NCC(=O)NCC(F)(F)F)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593170844	994028633	/nfs/dbraw/zinc/02/86/33/994028633.db2.gz	PYWCHVUXFIPUFF-ZETCQYMHSA-N	-1	0	392.290	0.888	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593171367	994030692	/nfs/dbraw/zinc/03/06/92/994030692.db2.gz	UBUMTPFQUFFURY-TZMCWYRMSA-N	-1	0	392.412	0.709	20	5		GCBDRM
CNC(=O)[C@]1(C)CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001598635322	994238841	/nfs/dbraw/zinc/23/88/41/994238841.db2.gz	ABSYBPWNXBEWBG-BMLIUANNSA-N	-1	0	378.385	0.760	20	5		GCBDRM
C[C@](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593318737	994838692	/nfs/dbraw/zinc/83/86/92/994838692.db2.gz	JYDIMESYXWSKEU-XJKSGUPXSA-N	-1	0	397.409	0.577	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC001598753755	995688460	/nfs/dbraw/zinc/68/84/60/995688460.db2.gz	VPRGPRWLDYVQNU-MFKMUULPSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC001598765298	995824323	/nfs/dbraw/zinc/82/43/23/995824323.db2.gz	BADNOVSMPPDJMZ-DOMZBBRYSA-N	-1	0	391.380	0.822	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC001598771269	995885644	/nfs/dbraw/zinc/88/56/44/995885644.db2.gz	RZECKNGLOGPNCY-SCZZXKLOSA-N	-1	0	380.309	0.802	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1	ZINC001598773507	995906629	/nfs/dbraw/zinc/90/66/29/995906629.db2.gz	ASBZHDCORTXMBR-SWLSCSKDSA-N	-1	0	391.380	0.822	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1	ZINC001598773794	995908843	/nfs/dbraw/zinc/90/88/43/995908843.db2.gz	ITFQNYGBHGIXMW-VXGBXAGGSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1	ZINC001598773793	995909063	/nfs/dbraw/zinc/90/90/63/995909063.db2.gz	ITFQNYGBHGIXMW-RYUDHWBXSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC001598799866	996130611	/nfs/dbraw/zinc/13/06/11/996130611.db2.gz	PSVQQXUIQMYMBL-GWCFXTLKSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC001598800476	996135008	/nfs/dbraw/zinc/13/50/08/996135008.db2.gz	UDUMGEYEUCIVAL-WPRPVWTQSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598825747	996380254	/nfs/dbraw/zinc/38/02/54/996380254.db2.gz	LKTAGYBPVXVUHO-IUCAKERBSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC001598827502	996398968	/nfs/dbraw/zinc/39/89/68/996398968.db2.gz	RKKKXATZAWMEQC-VHSXEESVSA-N	-1	0	390.345	0.537	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001599190405	997112470	/nfs/dbraw/zinc/11/24/70/997112470.db2.gz	SYMMXFIQTVLEFT-QGZVFWFLSA-N	-1	0	391.336	0.283	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001598899718	997151489	/nfs/dbraw/zinc/15/14/89/997151489.db2.gz	BUVCLEXWWIRKQY-XVKPBYJWSA-N	-1	0	376.318	0.567	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001599336600	997848918	/nfs/dbraw/zinc/84/89/18/997848918.db2.gz	YKJQQADTLACONN-ZDUSSCGKSA-N	-1	0	378.334	0.607	20	5		GCBDRM
COCCN1C[C@H](C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1=O	ZINC001599239668	998015349	/nfs/dbraw/zinc/01/53/49/998015349.db2.gz	IHYTVMAKBMOFER-DIFFPNOSSA-N	-1	0	379.369	0.506	20	5		GCBDRM
COc1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC001599351013	998092458	/nfs/dbraw/zinc/09/24/58/998092458.db2.gz	LQDZZGMOKQEVBB-CQSZACIVSA-N	-1	0	376.268	0.866	20	5		GCBDRM
COCC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001599139648	998105221	/nfs/dbraw/zinc/10/52/21/998105221.db2.gz	ONDVLQLKILFSKH-NSHDSACASA-N	-1	0	394.384	0.093	20	5		GCBDRM
COc1cc(OCC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC001599455710	998185009	/nfs/dbraw/zinc/18/50/09/998185009.db2.gz	GXJQJPGTUXRFHQ-GFCCVEGCSA-N	-1	0	381.341	0.174	20	5		GCBDRM
COc1ccc(CNC(=O)C(=O)N2CCC(CC(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC001599561476	998205453	/nfs/dbraw/zinc/20/54/53/998205453.db2.gz	CYUBSHOWUJDMJR-UHFFFAOYSA-N	-1	0	379.369	0.933	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N(C)c2ccccc2C(=O)[O-])c1=O	ZINC001598955325	998229193	/nfs/dbraw/zinc/22/91/93/998229193.db2.gz	CMXWQIGVZGGJLW-UHFFFAOYSA-N	-1	0	389.320	0.904	20	5		GCBDRM
COCCOCCN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001599251661	998242870	/nfs/dbraw/zinc/24/28/70/998242870.db2.gz	UDXPKWVLQIZIQC-UHFFFAOYSA-N	-1	0	381.385	0.714	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001599462179	998292349	/nfs/dbraw/zinc/29/23/49/998292349.db2.gz	RUFHNPJRUOXMAY-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
COC[C@H](CS(=O)(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)OC	ZINC001599167033	998557507	/nfs/dbraw/zinc/55/75/07/998557507.db2.gz	USFUHWZTPXMDFR-TZMCWYRMSA-N	-1	0	376.387	0.475	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1	ZINC001599065593	999297052	/nfs/dbraw/zinc/29/70/52/999297052.db2.gz	IGRMCXIUQNIHKX-QGHHPUGFSA-N	-1	0	395.343	0.789	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000577735431	530118107	/nfs/dbraw/zinc/11/81/07/530118107.db2.gz	GJHSBVWSQGHRGA-QMMMGPOBSA-N	-1	0	380.400	0.395	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000558588760	530118876	/nfs/dbraw/zinc/11/88/76/530118876.db2.gz	FYELLMLABFYIIC-WPRPVWTQSA-N	-1	0	395.187	0.566	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000285886743	530124778	/nfs/dbraw/zinc/12/47/78/530124778.db2.gz	BSSDOHNYGHXPGJ-SNVBAGLBSA-N	-1	0	385.320	0.853	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000578143564	530124798	/nfs/dbraw/zinc/12/47/98/530124798.db2.gz	UJLOMDCVTDBSDH-SECBINFHSA-N	-1	0	383.176	0.390	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F	ZINC000285877793	530124840	/nfs/dbraw/zinc/12/48/40/530124840.db2.gz	BDQNWFVUSPOQFB-SNVBAGLBSA-N	-1	0	385.320	0.853	20	5		GCBDRM
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000574080304	530131283	/nfs/dbraw/zinc/13/12/83/530131283.db2.gz	RBCCHKHIEAHZPW-QMMMGPOBSA-N	-1	0	380.400	0.347	20	5		GCBDRM
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000574092833	530131636	/nfs/dbraw/zinc/13/16/36/530131636.db2.gz	SQSYGYXGSFFAGD-MRVPVSSYSA-N	-1	0	378.384	0.101	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000598583878	530138127	/nfs/dbraw/zinc/13/81/27/530138127.db2.gz	GFYRLIBLSHRSKO-SDWAUSNYSA-N	-1	0	376.412	0.418	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)c([N+](=O)[O-])n1	ZINC000535990907	530171628	/nfs/dbraw/zinc/17/16/28/530171628.db2.gz	NCEHUKTUTAASNV-UHFFFAOYSA-N	-1	0	389.415	0.568	20	5		GCBDRM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000262482884	530245947	/nfs/dbraw/zinc/24/59/47/530245947.db2.gz	SPPVLGMTFKFSIC-UHFFFAOYSA-N	-1	0	375.378	0.950	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000262503663	530246410	/nfs/dbraw/zinc/24/64/10/530246410.db2.gz	ZNBODPFUWANRLX-MRVPVSSYSA-N	-1	0	377.350	0.334	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000477141521	530217100	/nfs/dbraw/zinc/21/71/00/530217100.db2.gz	GGIHNZHOYMNOCG-WDEREUQCSA-N	-1	0	395.434	0.873	20	5		GCBDRM
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC	ZINC000289541804	530264741	/nfs/dbraw/zinc/26/47/41/530264741.db2.gz	RFARJBQVAZVDFR-QMMMGPOBSA-N	-1	0	398.752	0.770	20	5		GCBDRM
CN1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1=O	ZINC000263818936	530296034	/nfs/dbraw/zinc/29/60/34/530296034.db2.gz	PRPGGIBYSZEING-QMMMGPOBSA-N	-1	0	378.204	0.866	20	5		GCBDRM
CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000515839378	530309929	/nfs/dbraw/zinc/30/99/29/530309929.db2.gz	GZXJKTMOPQKCCG-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
O=C([O-])CCN(CCO)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000614376025	530309958	/nfs/dbraw/zinc/30/99/58/530309958.db2.gz	XBDNJOPCURVQNM-UHFFFAOYSA-N	-1	0	397.203	0.815	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1	ZINC000563071150	530315577	/nfs/dbraw/zinc/31/55/77/530315577.db2.gz	VSQCRFWEEWOZQD-MRVPVSSYSA-N	-1	0	378.384	0.149	20	5		GCBDRM
NS(=O)(=O)CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000579956467	530322662	/nfs/dbraw/zinc/32/26/62/530322662.db2.gz	MDDPQEFMPXUWEQ-UHFFFAOYSA-N	-1	0	392.821	0.000	20	5		GCBDRM
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000563075429	530323113	/nfs/dbraw/zinc/32/31/13/530323113.db2.gz	GRRFXCQNBGSVOG-MRVPVSSYSA-N	-1	0	378.384	0.101	20	5		GCBDRM
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000563075430	530323265	/nfs/dbraw/zinc/32/32/65/530323265.db2.gz	GRRFXCQNBGSVOG-QMMMGPOBSA-N	-1	0	378.384	0.101	20	5		GCBDRM
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000580649995	530324353	/nfs/dbraw/zinc/32/43/53/530324353.db2.gz	FOFQKSPYYBRWGY-MRVPVSSYSA-N	-1	0	380.400	0.347	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCS(=O)(=O)C2)c1	ZINC000580833727	530324426	/nfs/dbraw/zinc/32/44/26/530324426.db2.gz	BGPUYRPGHAOBKY-LLVKDONJSA-N	-1	0	386.411	0.952	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000582521550	530327897	/nfs/dbraw/zinc/32/78/97/530327897.db2.gz	GNLAKSSAGPVJBP-QMMMGPOBSA-N	-1	0	380.350	0.589	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)NCCCS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000580188460	530337639	/nfs/dbraw/zinc/33/76/39/530337639.db2.gz	UPTQPDCBBMKEJS-UHFFFAOYSA-N	-1	0	380.400	0.314	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000565720370	530352644	/nfs/dbraw/zinc/35/26/44/530352644.db2.gz	PMSUOWKOXPRFGY-QMMMGPOBSA-N	-1	0	392.411	0.537	20	5		GCBDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	ZINC000517646572	530372462	/nfs/dbraw/zinc/37/24/62/530372462.db2.gz	RTUUNKLNNZSMKP-UHFFFAOYSA-N	-1	0	380.350	0.854	20	5		GCBDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566919797	530412497	/nfs/dbraw/zinc/41/24/97/530412497.db2.gz	YLLDEYVPRICNAQ-IUCAKERBSA-N	-1	0	394.427	0.735	20	5		GCBDRM
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000567799332	530471205	/nfs/dbraw/zinc/47/12/05/530471205.db2.gz	LMWNYOXAUKPQII-QMMMGPOBSA-N	-1	0	380.400	0.347	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)NCC(F)(F)F)c1	ZINC000568007404	530478875	/nfs/dbraw/zinc/47/88/75/530478875.db2.gz	KJMOBIYASCGNFZ-UHFFFAOYSA-N	-1	0	385.276	0.250	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000568006542	530478976	/nfs/dbraw/zinc/47/89/76/530478976.db2.gz	HUPWTAYRXMZZMM-HKPSDFMSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)Cc1ccccc1	ZINC000569671182	530500713	/nfs/dbraw/zinc/50/07/13/530500713.db2.gz	DJJPXALZPVJHJT-ZWNOBZJWSA-N	-1	0	386.407	0.991	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000568754840	530493042	/nfs/dbraw/zinc/49/30/42/530493042.db2.gz	UKKPFNGALXYNFH-QMMMGPOBSA-N	-1	0	394.427	0.703	20	5		GCBDRM
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1	ZINC000266366990	530493603	/nfs/dbraw/zinc/49/36/03/530493603.db2.gz	UIQPFODBMZHIEQ-UHFFFAOYSA-N	-1	0	388.793	0.695	20	5		GCBDRM
O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000571112138	530506804	/nfs/dbraw/zinc/50/68/04/530506804.db2.gz	ODWYHPJXWIVKQG-JTQLQIEISA-N	-1	0	386.407	0.927	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC000571348455	530507431	/nfs/dbraw/zinc/50/74/31/530507431.db2.gz	WWSYRTJOKQITMU-SDWAUSNYSA-N	-1	0	376.412	0.418	20	5		GCBDRM
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000563231228	530516739	/nfs/dbraw/zinc/51/67/39/530516739.db2.gz	DFCQCUPQVOOSSQ-SECBINFHSA-N	-1	0	378.384	0.101	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1	ZINC000573683082	530525318	/nfs/dbraw/zinc/52/53/18/530525318.db2.gz	RSMDHTUSOFRBEE-BSNNYGBQSA-N	-1	0	376.412	0.418	20	5		GCBDRM
O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436985121	530529287	/nfs/dbraw/zinc/52/92/87/530529287.db2.gz	GUYMPJDXPCNCAI-SNVBAGLBSA-N	-1	0	386.407	0.927	20	5		GCBDRM
O=[N+]([O-])c1cccnc1N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000438890318	530571651	/nfs/dbraw/zinc/57/16/51/530571651.db2.gz	MJSPVQNCHZDTCE-UHFFFAOYSA-N	-1	0	383.352	0.945	20	5		GCBDRM
CS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000589195732	530660459	/nfs/dbraw/zinc/66/04/59/530660459.db2.gz	HKMRNSCVQBINFB-UHFFFAOYSA-N	-1	0	379.416	0.003	20	5		GCBDRM
CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000546094224	530692500	/nfs/dbraw/zinc/69/25/00/530692500.db2.gz	DSKBUZFBMXIAEJ-UHFFFAOYSA-N	-1	0	379.460	0.732	20	5		GCBDRM
O=C([O-])CSCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000485807551	530731900	/nfs/dbraw/zinc/73/19/00/530731900.db2.gz	SVCSUUCARQJHCQ-UHFFFAOYSA-N	-1	0	391.427	0.197	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000592136520	530757492	/nfs/dbraw/zinc/75/74/92/530757492.db2.gz	HBKANVBZQRVBEC-UHFFFAOYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000485924144	530745113	/nfs/dbraw/zinc/74/51/13/530745113.db2.gz	JPNCLGRBTJDRCU-DGCLKSJQSA-N	-1	0	378.378	0.833	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000593313000	530799931	/nfs/dbraw/zinc/79/99/31/530799931.db2.gz	RUIWVPXTDAVRJW-UHFFFAOYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)S(C)(=O)=O	ZINC000593312692	530799938	/nfs/dbraw/zinc/79/99/38/530799938.db2.gz	DSZCVTGDVKPJDE-UHFFFAOYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
O=C([O-])[C@H](CCO)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000275053634	530800632	/nfs/dbraw/zinc/80/06/32/530800632.db2.gz	IRFSYWGHMRENRE-VIFPVBQESA-N	-1	0	383.176	0.471	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000274937074	530790386	/nfs/dbraw/zinc/79/03/86/530790386.db2.gz	QEZZHJRTHZKWKQ-QMMMGPOBSA-N	-1	0	383.176	0.390	20	5		GCBDRM
NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000068785032	530794865	/nfs/dbraw/zinc/79/48/65/530794865.db2.gz	KQDCBJXBAFPOCQ-UHFFFAOYSA-N	-1	0	387.395	0.890	20	5		GCBDRM
O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000274964160	530818731	/nfs/dbraw/zinc/81/87/31/530818731.db2.gz	VIGNHPOBGLFNTJ-MRVPVSSYSA-N	-1	0	383.176	0.471	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O	ZINC000417444767	530850306	/nfs/dbraw/zinc/85/03/06/530850306.db2.gz	DQUCFRRLBPLFHN-KWQFWETISA-N	-1	0	391.427	0.645	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000275122908	530865375	/nfs/dbraw/zinc/86/53/75/530865375.db2.gz	OGGFRNVFMXFFGV-VIFPVBQESA-N	-1	0	398.802	0.121	20	5		GCBDRM
NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000275095531	530865410	/nfs/dbraw/zinc/86/54/10/530865410.db2.gz	KUTQCFSKEWCPJB-OIBJUYFYSA-N	-1	0	375.334	0.073	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](C[C@H](OC)C2CC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000594573758	530869824	/nfs/dbraw/zinc/86/98/24/530869824.db2.gz	RXWRMVWEJSGFEH-UWVGGRQHSA-N	-1	0	376.391	0.358	20	5		GCBDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000576759967	530870664	/nfs/dbraw/zinc/87/06/64/530870664.db2.gz	NBWZIAULXZDGSE-IUCAKERBSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CSCC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000274911012	530905608	/nfs/dbraw/zinc/90/56/08/530905608.db2.gz	KPHFREZRCYBNKT-MRVPVSSYSA-N	-1	0	392.411	0.851	20	5		GCBDRM
COCCN(CCOC)S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000275070823	530906398	/nfs/dbraw/zinc/90/63/98/530906398.db2.gz	WRTIYXKWTLCVBD-UHFFFAOYSA-N	-1	0	377.375	0.545	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000275092175	530906570	/nfs/dbraw/zinc/90/65/70/530906570.db2.gz	KHHZFWDLWFYPSL-VIFPVBQESA-N	-1	0	395.187	0.831	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC000275176651	530907133	/nfs/dbraw/zinc/90/71/33/530907133.db2.gz	WDGJKWSVVMWZLI-LLVKDONJSA-N	-1	0	392.411	0.030	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000275189624	530907282	/nfs/dbraw/zinc/90/72/82/530907282.db2.gz	FJWRDOSBPJJGHY-SECBINFHSA-N	-1	0	376.343	0.288	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275175318	530907330	/nfs/dbraw/zinc/90/73/30/530907330.db2.gz	VYERJEDEEVXLCC-VIFPVBQESA-N	-1	0	398.802	0.121	20	5		GCBDRM
NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275169966	530907344	/nfs/dbraw/zinc/90/73/44/530907344.db2.gz	VGXMSXNRLQZLRC-XCBNKYQSSA-N	-1	0	391.789	0.587	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000275141298	530907352	/nfs/dbraw/zinc/90/73/52/530907352.db2.gz	QFSYOAHFPXCBMN-NSHDSACASA-N	-1	0	392.411	0.166	20	5		GCBDRM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(F)(F)F	ZINC000594699878	530877276	/nfs/dbraw/zinc/87/72/76/530877276.db2.gz	MREYRLPIDGSYFF-QMMMGPOBSA-N	-1	0	388.324	0.974	20	5		GCBDRM
C[C@](CCF)(NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000594719499	530877945	/nfs/dbraw/zinc/87/79/45/530877945.db2.gz	KKSGCEDXBYPUHT-CYBMUJFWSA-N	-1	0	378.334	0.847	20	5		GCBDRM
CO[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000548540195	530880730	/nfs/dbraw/zinc/88/07/30/530880730.db2.gz	DDICDNIXCXUSIY-MRVPVSSYSA-N	-1	0	383.176	0.735	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1C	ZINC000548585826	530883379	/nfs/dbraw/zinc/88/33/79/530883379.db2.gz	MQBKCLCEZFFLPN-RULNZOCKSA-N	-1	0	376.412	0.418	20	5		GCBDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000275106948	530886399	/nfs/dbraw/zinc/88/63/99/530886399.db2.gz	RLQHREHDHSGRST-ANLVUFKYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C)cc1[N+](=O)[O-]	ZINC000424368296	530889128	/nfs/dbraw/zinc/88/91/28/530889128.db2.gz	POKISWLBCNOFKP-LBPRGKRZSA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000424366449	530889370	/nfs/dbraw/zinc/88/93/70/530889370.db2.gz	IWVPYBMVJJEJKY-SNVBAGLBSA-N	-1	0	392.411	0.084	20	5		GCBDRM
O=C([O-])[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424469192	530889539	/nfs/dbraw/zinc/88/95/39/530889539.db2.gz	KJWBPCCVAMDFKL-QMMMGPOBSA-N	-1	0	380.176	0.440	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000373617095	530894082	/nfs/dbraw/zinc/89/40/82/530894082.db2.gz	ZHNVQZVIRNDUMW-HQJQHLMTSA-N	-1	0	378.334	0.605	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000575865803	530929409	/nfs/dbraw/zinc/92/94/09/530929409.db2.gz	UECTYNNFGLSLCG-LVPZIMMTSA-N	-1	0	376.412	0.823	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)n1	ZINC000600650467	530931443	/nfs/dbraw/zinc/93/14/43/530931443.db2.gz	LGSFCRNFUMJNKP-UHFFFAOYSA-N	-1	0	392.390	0.813	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)c(C)c1[N+](=O)[O-]	ZINC000277271752	530913299	/nfs/dbraw/zinc/91/32/99/530913299.db2.gz	ONYJOSXCUQKHPY-XVKPBYJWSA-N	-1	0	377.331	0.232	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000278366228	530915858	/nfs/dbraw/zinc/91/58/58/530915858.db2.gz	ZCGMPPBGILGVAC-UHFFFAOYSA-N	-1	0	379.778	0.426	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000278284996	530916031	/nfs/dbraw/zinc/91/60/31/530916031.db2.gz	QFCOYPKCEYFWCL-UHFFFAOYSA-N	-1	0	379.778	0.426	20	5		GCBDRM
CS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000285197070	530926643	/nfs/dbraw/zinc/92/66/43/530926643.db2.gz	SHXZGAVCDPLMRQ-UHFFFAOYSA-N	-1	0	389.814	0.605	20	5		GCBDRM
CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603582852	530935429	/nfs/dbraw/zinc/93/54/29/530935429.db2.gz	UTPVURBNSKRXJI-NSHDSACASA-N	-1	0	376.412	0.970	20	5		GCBDRM
Cc1c(NC(=O)C(=O)NCc2nnn[n-]2)cc(Br)cc1[N+](=O)[O-]	ZINC000619532551	530945700	/nfs/dbraw/zinc/94/57/00/530945700.db2.gz	NZNWPKFDAIWYMA-UHFFFAOYSA-N	-1	0	384.150	0.434	20	5		GCBDRM
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1COC2(CCOCC2)O1	ZINC000272048229	530946760	/nfs/dbraw/zinc/94/67/60/530946760.db2.gz	MLLAAFDARYTRNI-JTQLQIEISA-N	-1	0	376.362	0.934	20	5		GCBDRM
COC(=O)Cn1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1	ZINC000441853648	530951397	/nfs/dbraw/zinc/95/13/97/530951397.db2.gz	AXYVQPJHSXXKQU-UHFFFAOYSA-N	-1	0	389.777	0.491	20	5		GCBDRM
NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000597737193	530955091	/nfs/dbraw/zinc/95/50/91/530955091.db2.gz	QDGMZRHHXYIZEF-SECBINFHSA-N	-1	0	392.821	0.742	20	5		GCBDRM
O=c1nc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[n-]o1	ZINC000416475341	531034265	/nfs/dbraw/zinc/03/42/65/531034265.db2.gz	JKYVEFAAQUJRRI-UHFFFAOYSA-N	-1	0	382.276	0.811	20	5		GCBDRM
COCCN(CCOC)S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000547920393	531020006	/nfs/dbraw/zinc/02/00/06/531020006.db2.gz	VDQCKVPOROWZKT-UHFFFAOYSA-N	-1	0	377.375	0.545	20	5		GCBDRM
CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000270355061	531086665	/nfs/dbraw/zinc/08/66/65/531086665.db2.gz	DLSUGBIVJJPBBH-UFBFGSQYSA-N	-1	0	378.428	0.757	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)nc1	ZINC000738139227	599150547	/nfs/dbraw/zinc/15/05/47/599150547.db2.gz	MWOSYJMNFCGJHN-UHFFFAOYSA-N	-1	0	375.326	0.289	20	5		GCBDRM
CN(CC(=O)[O-])C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263125587	596897949	/nfs/dbraw/zinc/89/79/49/596897949.db2.gz	SBNATVCGRZPTNE-NSHDSACASA-N	-1	0	385.398	0.539	20	5		GCBDRM
O=C([O-])CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262224000	597115378	/nfs/dbraw/zinc/11/53/78/597115378.db2.gz	LYISJVZGCCASJD-LLVKDONJSA-N	-1	0	385.398	0.586	20	5		GCBDRM
NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000819130528	597165586	/nfs/dbraw/zinc/16/55/86/597165586.db2.gz	BECKPTUNCCMJLB-NSHDSACASA-N	-1	0	386.386	0.120	20	5		GCBDRM
C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000262536674	597309741	/nfs/dbraw/zinc/30/97/41/597309741.db2.gz	QIUPNHJLISHGCE-GWCFXTLKSA-N	-1	0	385.398	0.727	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(NCCCC(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC000261952774	597311878	/nfs/dbraw/zinc/31/18/78/597311878.db2.gz	QAVBUEYNKZEAES-UHFFFAOYSA-N	-1	0	386.430	0.808	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000262449452	597698519	/nfs/dbraw/zinc/69/85/19/597698519.db2.gz	QUTDMULUOZWKRA-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	ZINC000262405396	597699552	/nfs/dbraw/zinc/69/95/52/597699552.db2.gz	KSKDCXCYJNXJOA-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NCCN2CCO[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736811063	599706250	/nfs/dbraw/zinc/70/62/50/599706250.db2.gz	QLSIZPQEMDZLKP-NWDGAFQWSA-N	-1	0	380.401	0.930	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000737609576	599752417	/nfs/dbraw/zinc/75/24/17/599752417.db2.gz	BFMVJEVAFXFWGS-UHFFFAOYSA-N	-1	0	381.341	0.131	20	5		GCBDRM
COc1cc(OCC(=O)N2CCCn3nc(C(=O)[O-])nc32)ccc1[N+](=O)[O-]	ZINC000737902514	599766509	/nfs/dbraw/zinc/76/65/09/599766509.db2.gz	NEBIBPHUQVRJHB-UHFFFAOYSA-N	-1	0	377.313	0.709	20	5		GCBDRM
CC(C)(C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1	ZINC000486182390	599807933	/nfs/dbraw/zinc/80/79/33/599807933.db2.gz	FWXPKTRUFFCTOH-UHFFFAOYSA-N	-1	0	375.341	0.980	20	5		GCBDRM
O=C([O-])Cn1ncc2c1ncn(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)c2=O	ZINC000739919623	600030709	/nfs/dbraw/zinc/03/07/09/600030709.db2.gz	HZRZFPRDZONWTK-UHFFFAOYSA-N	-1	0	398.335	0.175	20	5		GCBDRM
O=C([O-])Cn1ncc2c1ncn(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)c2=O	ZINC000739918855	600030905	/nfs/dbraw/zinc/03/09/05/600030905.db2.gz	CWTYSUGHZIVLDC-UHFFFAOYSA-N	-1	0	397.307	0.684	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000485642064	600059357	/nfs/dbraw/zinc/05/93/57/600059357.db2.gz	IIMDKPFGCBQUEI-STQMWFEESA-N	-1	0	383.382	0.148	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000262570275	600059516	/nfs/dbraw/zinc/05/95/16/600059516.db2.gz	CIOJQGPNXGWANV-OLZOCXBDSA-N	-1	0	397.409	0.457	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCN1CCOCC1)CC(=O)[O-]	ZINC000738746227	600146284	/nfs/dbraw/zinc/14/62/84/600146284.db2.gz	GLFKWMKTLAPMEB-UHFFFAOYSA-N	-1	0	380.401	0.561	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000739319153	600172709	/nfs/dbraw/zinc/17/27/09/600172709.db2.gz	HBWBHNVCUVGJIT-BDAKNGLRSA-N	-1	0	380.309	0.959	20	5		GCBDRM
CNc1ccc(S(=O)(=O)N(C)Cc2noc(CCC(=O)[O-])n2)cc1[N+](=O)[O-]	ZINC000737560871	600186434	/nfs/dbraw/zinc/18/64/34/600186434.db2.gz	CFTZZHGEZCXPNC-UHFFFAOYSA-N	-1	0	399.385	0.857	20	5		GCBDRM
C[C@](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)(C(=O)[O-])C1CC1	ZINC000736636266	600200131	/nfs/dbraw/zinc/20/01/31/600200131.db2.gz	KWWCRYPODGVJPJ-OAHLLOKOSA-N	-1	0	385.398	0.633	20	5		GCBDRM
O=C([O-])NCCC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739947573	600200521	/nfs/dbraw/zinc/20/05/21/600200521.db2.gz	CKQOWOLTFMONFR-UHFFFAOYSA-N	-1	0	380.357	0.444	20	5		GCBDRM
CN(CCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000737426705	600252159	/nfs/dbraw/zinc/25/21/59/600252159.db2.gz	WIWDLGHYZUTDMK-UHFFFAOYSA-N	-1	0	388.402	0.379	20	5		GCBDRM
O=C([O-])c1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1	ZINC000609725739	600258438	/nfs/dbraw/zinc/25/84/38/600258438.db2.gz	OQLSIDUVIZHDAG-UHFFFAOYSA-N	-1	0	394.365	0.396	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	ZINC000739786247	600267336	/nfs/dbraw/zinc/26/73/36/600267336.db2.gz	MXESRVQHUBGKKK-UHFFFAOYSA-N	-1	0	376.369	0.935	20	5		GCBDRM
COC(=O)C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000737597445	600304126	/nfs/dbraw/zinc/30/41/26/600304126.db2.gz	JKEKJNQIBQQZGD-QMMMGPOBSA-N	-1	0	387.732	0.111	20	5		GCBDRM
Cc1[nH]nc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C(=O)[O-]	ZINC000738828454	600338691	/nfs/dbraw/zinc/33/86/91/600338691.db2.gz	CNHKMMSNXCXSIC-UHFFFAOYSA-N	-1	0	395.397	0.835	20	5		GCBDRM
Cc1[nH]nc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C(=O)[O-]	ZINC000738829849	600338717	/nfs/dbraw/zinc/33/87/17/600338717.db2.gz	SEAMEYOWMHONLT-UHFFFAOYSA-N	-1	0	395.397	0.835	20	5		GCBDRM
CC(=O)NC[C@H]1CN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000736147237	600396926	/nfs/dbraw/zinc/39/69/26/600396926.db2.gz	GSGXNPACJLLYBT-MFKMUULPSA-N	-1	0	394.384	0.139	20	5		GCBDRM
CN(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737388991	600400033	/nfs/dbraw/zinc/40/00/33/600400033.db2.gz	LPJJBQQSCQNZLH-ZDUSSCGKSA-N	-1	0	387.414	0.831	20	5		GCBDRM
CCOC(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000737146087	600442469	/nfs/dbraw/zinc/44/24/69/600442469.db2.gz	MJJNXDGAQAKFJE-UHFFFAOYSA-N	-1	0	381.341	0.973	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCCN(C(N)=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736656333	600503035	/nfs/dbraw/zinc/50/30/35/600503035.db2.gz	JVGKNSBWZIULAM-JTQLQIEISA-N	-1	0	379.373	0.389	20	5		GCBDRM
O=C([O-])c1ccc(=O)n(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000740101258	600519815	/nfs/dbraw/zinc/51/98/15/600519815.db2.gz	CPQFFAHPEBJKGC-UHFFFAOYSA-N	-1	0	387.352	0.199	20	5		GCBDRM
CN(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737388990	600533391	/nfs/dbraw/zinc/53/33/91/600533391.db2.gz	LPJJBQQSCQNZLH-CYBMUJFWSA-N	-1	0	387.414	0.831	20	5		GCBDRM
O=C([O-])C1CCN(C(=O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1	ZINC000739591774	600564989	/nfs/dbraw/zinc/56/49/89/600564989.db2.gz	VRKAARDBHMJDJF-ZDUSSCGKSA-N	-1	0	377.401	0.799	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1	ZINC000739812647	600611217	/nfs/dbraw/zinc/61/12/17/600611217.db2.gz	ISPVYPWZVYLEOZ-LBPRGKRZSA-N	-1	0	379.369	0.999	20	5		GCBDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000516229980	600651452	/nfs/dbraw/zinc/65/14/52/600651452.db2.gz	RKWNPHGUBHIUHR-UHFFFAOYSA-N	-1	0	390.370	0.478	20	5		GCBDRM
O=C([O-])C[C@H]1CSCCN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000739651184	600666743	/nfs/dbraw/zinc/66/67/43/600666743.db2.gz	NYCJAHJPGMSSBE-JTQLQIEISA-N	-1	0	381.366	0.921	20	5		GCBDRM
C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCC(=O)[O-]	ZINC000827825523	600676401	/nfs/dbraw/zinc/67/64/01/600676401.db2.gz	GIXFRMNHINKJJX-IUCAKERBSA-N	-1	0	399.381	0.393	20	5		GCBDRM
COC(=O)Cn1cc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1	ZINC000831192651	600712195	/nfs/dbraw/zinc/71/21/95/600712195.db2.gz	QJTLLCYSHLMPOS-UHFFFAOYSA-N	-1	0	385.310	0.430	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000833252172	600819533	/nfs/dbraw/zinc/81/95/33/600819533.db2.gz	FXPDPSKRZAWSNR-ZDUSSCGKSA-N	-1	0	392.412	0.568	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704533	600821002	/nfs/dbraw/zinc/82/10/02/600821002.db2.gz	XEUUKRLHERKWJH-OCCSQVGLSA-N	-1	0	392.412	0.709	20	5		GCBDRM
COC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1C(=O)[O-]	ZINC000831404566	600943273	/nfs/dbraw/zinc/94/32/73/600943273.db2.gz	HWSLXHYRESRMNP-UHFFFAOYSA-N	-1	0	375.293	0.880	20	5		GCBDRM
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)NCC(=O)[O-]	ZINC000827844158	601072542	/nfs/dbraw/zinc/07/25/42/601072542.db2.gz	NONAFUGWSUOJGI-SNVBAGLBSA-N	-1	0	381.341	0.178	20	5		GCBDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1[N+](=O)[O-]	ZINC000832847763	601110979	/nfs/dbraw/zinc/11/09/79/601110979.db2.gz	TWPWKRFCHHOLQA-QMMMGPOBSA-N	-1	0	379.354	0.921	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc([N+](=O)[O-])c1	ZINC000738168736	601122900	/nfs/dbraw/zinc/12/29/00/601122900.db2.gz	VXLVCXIKKLYDLR-CYBMUJFWSA-N	-1	0	379.350	0.949	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC000832958700	601173101	/nfs/dbraw/zinc/17/31/01/601173101.db2.gz	NLYKHGRFWVPNRE-LBPRGKRZSA-N	-1	0	378.385	0.849	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704213	601201641	/nfs/dbraw/zinc/20/16/41/601201641.db2.gz	VMORSHIQZXJBMR-QWRGUYRKSA-N	-1	0	378.385	0.890	20	5		GCBDRM
CC(=O)N[C@H]1CCCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000825870736	601249245	/nfs/dbraw/zinc/24/92/45/601249245.db2.gz	AKRNWFJRNJAKMI-MFKMUULPSA-N	-1	0	378.385	0.903	20	5		GCBDRM
C[C@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000828486269	601253901	/nfs/dbraw/zinc/25/39/01/601253901.db2.gz	LWCICAFOVKUWNI-LRDDRELGSA-N	-1	0	392.412	0.566	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC000832481608	601258330	/nfs/dbraw/zinc/25/83/30/601258330.db2.gz	MOQWOUYSFAPMOD-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1	ZINC000827386678	601259176	/nfs/dbraw/zinc/25/91/76/601259176.db2.gz	WGIGDYDYPBQGAJ-JTQLQIEISA-N	-1	0	375.378	0.903	20	5		GCBDRM
C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000828485186	601289540	/nfs/dbraw/zinc/28/95/40/601289540.db2.gz	DXDOHDVGZKPFGM-RNCFNFMXSA-N	-1	0	385.398	0.693	20	5		GCBDRM
O=C([O-])c1cn(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1	ZINC000263566216	601290828	/nfs/dbraw/zinc/29/08/28/601290828.db2.gz	GAKMRWNWYPLHNL-UHFFFAOYSA-N	-1	0	375.341	0.955	20	5		GCBDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000262107230	601293158	/nfs/dbraw/zinc/29/31/58/601293158.db2.gz	NRZYXAUXISCVIR-OAHLLOKOSA-N	-1	0	387.776	0.974	20	5		GCBDRM
CN(CC(=O)Nc1cc(C(=O)[O-])n(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000830682416	601320191	/nfs/dbraw/zinc/32/01/91/601320191.db2.gz	YNDVTCOOUSBHGI-UHFFFAOYSA-N	-1	0	396.381	0.891	20	5		GCBDRM
COc1cc(C)[nH]c(=NNS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000831972453	601333859	/nfs/dbraw/zinc/33/38/59/601333859.db2.gz	LAVLWTQPFUILQG-UHFFFAOYSA-N	-1	0	383.342	0.705	20	5		GCBDRM
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1=O	ZINC000828121412	601373857	/nfs/dbraw/zinc/37/38/57/601373857.db2.gz	GYYNRAJVKJLTRP-CXAGYDPISA-N	-1	0	392.368	0.495	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCO1	ZINC000833220187	601375074	/nfs/dbraw/zinc/37/50/74/601375074.db2.gz	UWBLTKKGRHCNBA-CYBMUJFWSA-N	-1	0	378.341	0.496	20	5		GCBDRM
Cc1cn(CN2CCO[C@H](CC(=O)[O-])C2)c(=O)n1-c1ccccc1[N+](=O)[O-]	ZINC000832985721	601376043	/nfs/dbraw/zinc/37/60/43/601376043.db2.gz	ZLBNGRWQOOUTNQ-CYBMUJFWSA-N	-1	0	376.369	0.989	20	5		GCBDRM
COC(=O)C[C@@H]1CN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000831148166	601382811	/nfs/dbraw/zinc/38/28/11/601382811.db2.gz	QFXHWWCJMBLFKF-CMPLNLGQSA-N	-1	0	395.368	0.566	20	5		GCBDRM
C[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000828499595	601563690	/nfs/dbraw/zinc/56/36/90/601563690.db2.gz	CQQFMJWJNLSVSV-AAEUAGOBSA-N	-1	0	399.425	0.773	20	5		GCBDRM
O=C([O-])C[C@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1	ZINC000833223368	601572034	/nfs/dbraw/zinc/57/20/34/601572034.db2.gz	YUDSFHWUTJNTIB-INIZCTEOSA-N	-1	0	392.412	0.419	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000595984226	601604828	/nfs/dbraw/zinc/60/48/28/601604828.db2.gz	BFXLQZOIVJXWCZ-LLVKDONJSA-N	-1	0	393.381	0.800	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-]	ZINC000595996127	601736754	/nfs/dbraw/zinc/73/67/54/601736754.db2.gz	AXOPZQHJURGAQP-HNNXBMFYSA-N	-1	0	393.381	0.848	20	5		GCBDRM
O=C([O-])C[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1	ZINC000833216378	601740671	/nfs/dbraw/zinc/74/06/71/601740671.db2.gz	NCQRBNDHZSCULY-LBPRGKRZSA-N	-1	0	393.352	0.985	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)N2CCO[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000262858368	601741178	/nfs/dbraw/zinc/74/11/78/601741178.db2.gz	WDSJHINFFSNSIF-SNVBAGLBSA-N	-1	0	383.382	0.488	20	5		GCBDRM
CC[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000573872980	601750153	/nfs/dbraw/zinc/75/01/53/601750153.db2.gz	IPQHPQSTYFMJMM-CYBMUJFWSA-N	-1	0	378.385	0.856	20	5		GCBDRM
C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000828334720	601758242	/nfs/dbraw/zinc/75/82/42/601758242.db2.gz	PPKIFXFUHMGUDJ-GWCFXTLKSA-N	-1	0	385.398	0.442	20	5		GCBDRM
O=C([O-])C1(CNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000833132832	601780134	/nfs/dbraw/zinc/78/01/34/601780134.db2.gz	DNGFAVKEJQZYII-KGLIPLIRSA-N	-1	0	381.385	0.933	20	5		GCBDRM
COC[C@@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)[O-]	ZINC000831596661	601818771	/nfs/dbraw/zinc/81/87/71/601818771.db2.gz	GLMYZYFDPDAXLX-JDNHERCYSA-N	-1	0	383.332	0.693	20	5		GCBDRM
COC[C@@](C)(NC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)[O-]	ZINC000831597454	601820132	/nfs/dbraw/zinc/82/01/32/601820132.db2.gz	UXBQROVTIIGSLZ-VPTHRUTESA-N	-1	0	379.325	0.185	20	5		GCBDRM
O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1	ZINC000833263326	601990533	/nfs/dbraw/zinc/99/05/33/601990533.db2.gz	LOJOEYWCVUYDQE-UHFFFAOYSA-N	-1	0	396.381	0.107	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1	ZINC000825847382	602007361	/nfs/dbraw/zinc/00/73/61/602007361.db2.gz	QUVITZFFZJLDKY-GHMZBOCLSA-N	-1	0	378.385	0.855	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN3C(=O)OC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703009	602014073	/nfs/dbraw/zinc/01/40/73/602014073.db2.gz	GXHWLNKBNKPVRL-KOLCDFICSA-N	-1	0	378.341	0.439	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262204804	602033598	/nfs/dbraw/zinc/03/35/98/602033598.db2.gz	JXKIKCMBOSVEDC-HNNXBMFYSA-N	-1	0	385.398	0.586	20	5		GCBDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000827263439	602068494	/nfs/dbraw/zinc/06/84/94/602068494.db2.gz	QLXXDOZGHJFHPN-LLVKDONJSA-N	-1	0	385.398	0.539	20	5		GCBDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000827262228	602068736	/nfs/dbraw/zinc/06/87/36/602068736.db2.gz	GZRBHDGMJJKEGC-LLVKDONJSA-N	-1	0	385.398	0.539	20	5		GCBDRM
CS(=O)(=O)c1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc(C(=O)[O-])c1	ZINC000486324075	602257233	/nfs/dbraw/zinc/25/72/33/602257233.db2.gz	WBRPARPQWZESNE-UHFFFAOYSA-N	-1	0	382.354	0.922	20	5		GCBDRM
C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000827333537	602279961	/nfs/dbraw/zinc/27/99/61/602279961.db2.gz	OJQBJQBIHDJWEP-LBPRGKRZSA-N	-1	0	379.369	0.897	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cn(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1=O	ZINC000833308635	602300179	/nfs/dbraw/zinc/30/01/79/602300179.db2.gz	XEDVTCNHJNZVLA-SNVBAGLBSA-N	-1	0	387.304	0.112	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NC[C@]2(CCO)CCOC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703870	602324858	/nfs/dbraw/zinc/32/48/58/602324858.db2.gz	SOIRGQDXWLXYHX-DIFFPNOSSA-N	-1	0	381.385	0.999	20	5		GCBDRM
CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825839508	607580226	/nfs/dbraw/zinc/58/02/26/607580226.db2.gz	HSHATAOLHAXLTP-JTQLQIEISA-N	-1	0	395.401	0.016	20	5		GCBDRM
COc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)ccn1	ZINC000826179340	607582349	/nfs/dbraw/zinc/58/23/49/607582349.db2.gz	KTYPIEMGUACUBU-UHFFFAOYSA-N	-1	0	391.369	0.657	20	5		GCBDRM
CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825220812	607585167	/nfs/dbraw/zinc/58/51/67/607585167.db2.gz	WXXXBWRVIGATLY-VHSXEESVSA-N	-1	0	382.402	0.963	20	5		GCBDRM
O=C(CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)NC1CC1	ZINC000826406370	607589653	/nfs/dbraw/zinc/58/96/53/607589653.db2.gz	TWWISMYTTRXFIS-UHFFFAOYSA-N	-1	0	395.401	0.112	20	5		GCBDRM
CC[C@@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)OC	ZINC000825044641	607601823	/nfs/dbraw/zinc/60/18/23/607601823.db2.gz	QXTVSAKCQDATMW-CYBMUJFWSA-N	-1	0	384.374	0.395	20	5		GCBDRM
CNC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCC1	ZINC000826050868	607603045	/nfs/dbraw/zinc/60/30/45/607603045.db2.gz	GPCRSIYAFVGZET-UHFFFAOYSA-N	-1	0	395.401	0.112	20	5		GCBDRM
Cc1noc(C)c1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826338971	607610296	/nfs/dbraw/zinc/61/02/96/607610296.db2.gz	NHZBIZHWHRLJKJ-UHFFFAOYSA-N	-1	0	393.385	0.901	20	5		GCBDRM
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739298480	603208067	/nfs/dbraw/zinc/20/80/67/603208067.db2.gz	YKLRBMKKGWDDHM-GFCCVEGCSA-N	-1	0	379.373	0.653	20	5		GCBDRM
COC(=O)[C@@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C1CC1	ZINC000826098518	607619973	/nfs/dbraw/zinc/61/99/73/607619973.db2.gz	HKTLTRXADHIJKV-AWEZNQCLSA-N	-1	0	396.385	0.395	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](CCO)C2)c1-c1nnn[n-]1	ZINC000826500194	607633341	/nfs/dbraw/zinc/63/33/41/607633341.db2.gz	OBMNSPSMNMEUNC-JTQLQIEISA-N	-1	0	382.402	0.558	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1-c1nnn[n-]1	ZINC000826500075	607668442	/nfs/dbraw/zinc/66/84/42/607668442.db2.gz	KCEQQBLBHBVMLE-QMMMGPOBSA-N	-1	0	391.373	0.180	20	5		GCBDRM
C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)[S@](C)=O	ZINC000824400123	607674548	/nfs/dbraw/zinc/67/45/48/607674548.db2.gz	AILVJWNIXCMHCV-VPCRFOHKSA-N	-1	0	388.431	0.210	20	5		GCBDRM
C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000824691350	607678341	/nfs/dbraw/zinc/67/83/41/607678341.db2.gz	ZYPNNPPLTSFFQE-NXEZZACHSA-N	-1	0	382.402	0.556	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CCO)CCC2)c1-c1nnn[n-]1	ZINC000826499983	607676123	/nfs/dbraw/zinc/67/61/23/607676123.db2.gz	HFUTVDHEHVNORR-UHFFFAOYSA-N	-1	0	382.402	0.606	20	5		GCBDRM
CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825833342	607678050	/nfs/dbraw/zinc/67/80/50/607678050.db2.gz	GKJHZNFVOINWBS-NSHDSACASA-N	-1	0	384.418	0.802	20	5		GCBDRM
CNS(=O)(=O)c1ccc(N(CCC(=O)[O-])C[C@@H]2CCCO2)c([N+](=O)[O-])c1	ZINC000831038329	604350547	/nfs/dbraw/zinc/35/05/47/604350547.db2.gz	MQADYBNGYHNOAE-NSHDSACASA-N	-1	0	387.414	0.963	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000832885978	604405919	/nfs/dbraw/zinc/40/59/19/604405919.db2.gz	VBCBKYLWVJFFRB-SNVBAGLBSA-N	-1	0	391.789	0.520	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000832885977	604405996	/nfs/dbraw/zinc/40/59/96/604405996.db2.gz	VBCBKYLWVJFFRB-JTQLQIEISA-N	-1	0	391.789	0.520	20	5		GCBDRM
O=C([O-])N1CC(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000740489124	604414653	/nfs/dbraw/zinc/41/46/53/604414653.db2.gz	MOIONSBXJIGJOO-UHFFFAOYSA-N	-1	0	380.176	0.998	20	5		GCBDRM
O=C([O-])C[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000833208616	604590700	/nfs/dbraw/zinc/59/07/00/604590700.db2.gz	PVZZVRDTVGHAGM-NSHDSACASA-N	-1	0	385.398	0.729	20	5		GCBDRM
O=C([O-])C[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263002198	604593680	/nfs/dbraw/zinc/59/36/80/604593680.db2.gz	RIZUVIIRGWFFCE-GFCCVEGCSA-N	-1	0	385.398	0.729	20	5		GCBDRM
O=C([O-])N1CC(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1	ZINC000831848099	604612145	/nfs/dbraw/zinc/61/21/45/604612145.db2.gz	ZDQFACJPQMEMOI-UHFFFAOYSA-N	-1	0	383.386	0.486	20	5		GCBDRM
C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CN(C)CCO1	ZINC000827703231	604637926	/nfs/dbraw/zinc/63/79/26/604637926.db2.gz	KOIUNSREMWKNQP-JRPNMDOOSA-N	-1	0	380.401	0.929	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCOC3(CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000833252743	604647471	/nfs/dbraw/zinc/64/74/71/604647471.db2.gz	ZJIVMYIXFPESES-UHFFFAOYSA-N	-1	0	379.369	0.795	20	5		GCBDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C	ZINC000829966544	604736365	/nfs/dbraw/zinc/73/63/65/604736365.db2.gz	IZEIISDHIYGPDY-GFCCVEGCSA-N	-1	0	389.386	0.112	20	5		GCBDRM
COCCCS(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000831705523	604740304	/nfs/dbraw/zinc/74/03/04/604740304.db2.gz	PIMKVVRASGZQTE-UHFFFAOYSA-N	-1	0	375.359	0.187	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1CN(C(=O)[O-])C1	ZINC000740009124	604761463	/nfs/dbraw/zinc/76/14/63/604761463.db2.gz	RFNQOVTWQOUWAG-VIFPVBQESA-N	-1	0	386.386	0.518	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CN(C(=O)[O-])C1	ZINC000832758708	604775796	/nfs/dbraw/zinc/77/57/96/604775796.db2.gz	SVKLIFPGZPNUAC-CYBMUJFWSA-N	-1	0	396.425	0.925	20	5		GCBDRM
O=C([O-])Nc1cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1F	ZINC000833284263	604878365	/nfs/dbraw/zinc/87/83/65/604878365.db2.gz	SHOWKLPSHWPCCK-UHFFFAOYSA-N	-1	0	380.292	0.775	20	5		GCBDRM
O=C([O-])[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000833769376	604910549	/nfs/dbraw/zinc/91/05/49/604910549.db2.gz	AEVGYJRHDSPOHE-GFCCVEGCSA-N	-1	0	385.760	0.871	20	5		GCBDRM
CC(C)N1C(=O)N[C@]2(CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)C1=O	ZINC000833500843	604940953	/nfs/dbraw/zinc/94/09/53/604940953.db2.gz	OCJMIESGWBTJKO-KRWDZBQOSA-N	-1	0	390.352	0.838	20	5		GCBDRM
CC[C@H](OC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000833643809	605010010	/nfs/dbraw/zinc/01/00/10/605010010.db2.gz	AKKZEZKARGCDMI-NSHDSACASA-N	-1	0	375.359	0.321	20	5		GCBDRM
C[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000833532441	605208932	/nfs/dbraw/zinc/20/89/32/605208932.db2.gz	IOPHMBOEMSPKFK-SECBINFHSA-N	-1	0	376.325	0.888	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc([N+](=O)[O-])c1	ZINC000833777655	605272449	/nfs/dbraw/zinc/27/24/49/605272449.db2.gz	AHNRREDZOYLBON-MLGOLLRUSA-N	-1	0	398.393	0.759	20	5		GCBDRM
C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824698695	607747657	/nfs/dbraw/zinc/74/76/57/607747657.db2.gz	NCAQJDSVTPIBDK-UWVGGRQHSA-N	-1	0	382.402	0.699	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1nnc2n1CCC2	ZINC000833523728	605394211	/nfs/dbraw/zinc/39/42/11/605394211.db2.gz	WSCGQKNIPRMSSL-QMMMGPOBSA-N	-1	0	381.370	0.870	20	5		GCBDRM
C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCS1(=O)=O	ZINC000833589595	605396490	/nfs/dbraw/zinc/39/64/90/605396490.db2.gz	WRCKZMOYZVCMBY-DTWKUNHWSA-N	-1	0	392.411	0.489	20	5		GCBDRM
CC(C)(C)N1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1=O	ZINC000833431903	605398694	/nfs/dbraw/zinc/39/86/94/605398694.db2.gz	YKMVMTXLCLZUAV-VIFPVBQESA-N	-1	0	385.398	0.971	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1N1CCOCC1	ZINC000833631499	605400030	/nfs/dbraw/zinc/40/00/30/605400030.db2.gz	PJWDGKAVRMZQMI-RISCZKNCSA-N	-1	0	399.425	0.634	20	5		GCBDRM
O=C([O-])c1cn(C2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)nn1	ZINC000780314801	605531940	/nfs/dbraw/zinc/53/19/40/605531940.db2.gz	VGBZFCSSNURNJV-UHFFFAOYSA-N	-1	0	383.324	0.767	20	5		GCBDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O	ZINC000821565164	606042265	/nfs/dbraw/zinc/04/22/65/606042265.db2.gz	GSYJGCAUOMWOKD-UHFFFAOYSA-N	-1	0	377.748	0.820	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)s1	ZINC000823284772	606176899	/nfs/dbraw/zinc/17/68/99/606176899.db2.gz	JMEFDSZWHOVJDJ-UHFFFAOYSA-N	-1	0	380.367	0.955	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000823284073	606182944	/nfs/dbraw/zinc/18/29/44/606182944.db2.gz	BNJZNQZFFFZXJT-UHFFFAOYSA-N	-1	0	375.326	0.289	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1	ZINC000822212893	606709631	/nfs/dbraw/zinc/70/96/31/606709631.db2.gz	LTTUDTHOOJPFCL-UHFFFAOYSA-N	-1	0	378.374	0.926	20	5		GCBDRM
COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821655282	606731386	/nfs/dbraw/zinc/73/13/86/606731386.db2.gz	IQDCOIAIEUVMEB-JTQLQIEISA-N	-1	0	396.385	0.491	20	5		GCBDRM
CN(Cc1ccccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821615974	606733121	/nfs/dbraw/zinc/73/31/21/606733121.db2.gz	XEMVIODMVFODFU-UHFFFAOYSA-N	-1	0	375.370	0.991	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@@H]1C	ZINC000821657870	606736787	/nfs/dbraw/zinc/73/67/87/606736787.db2.gz	XYYVYDLATVGUFY-DTWKUNHWSA-N	-1	0	396.385	0.205	20	5		GCBDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O	ZINC000821565230	607141796	/nfs/dbraw/zinc/14/17/96/607141796.db2.gz	JWWBSCLMFPYRJW-UHFFFAOYSA-N	-1	0	377.748	0.820	20	5		GCBDRM
Cc1ccn(C)c(=O)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000822369097	607156107	/nfs/dbraw/zinc/15/61/07/607156107.db2.gz	AMMJDSDPFQWUSI-UHFFFAOYSA-N	-1	0	391.369	0.583	20	5		GCBDRM
O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000823127073	607239331	/nfs/dbraw/zinc/23/93/31/607239331.db2.gz	RTYYOZXVCQVCFS-CQSZACIVSA-N	-1	0	387.385	0.641	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826272408	607777165	/nfs/dbraw/zinc/77/71/65/607777165.db2.gz	HWXHCWVITAQETA-UHFFFAOYSA-N	-1	0	377.342	0.530	20	5		GCBDRM
Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)ncn1	ZINC000826267286	607938128	/nfs/dbraw/zinc/93/81/28/607938128.db2.gz	YTJGMCHCRHESSP-UHFFFAOYSA-N	-1	0	376.358	0.352	20	5		GCBDRM
O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)nc3)c2c1	ZINC000826499528	607985911	/nfs/dbraw/zinc/98/59/11/607985911.db2.gz	MMDCSYBWRBLRLB-UHFFFAOYSA-N	-1	0	387.341	0.847	20	5		GCBDRM
CCOC(=O)C[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825498764	608026421	/nfs/dbraw/zinc/02/64/21/608026421.db2.gz	BYQZQHQEBGJDSX-VIFPVBQESA-N	-1	0	398.401	0.643	20	5		GCBDRM
CCOC(=O)CC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825506781	608026451	/nfs/dbraw/zinc/02/64/51/608026451.db2.gz	MFNCDSKYYDSTAP-VIFPVBQESA-N	-1	0	398.401	0.785	20	5		GCBDRM
CN(CC1(O)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825902388	608111184	/nfs/dbraw/zinc/11/11/84/608111184.db2.gz	SSHDNRIIASQPPQ-UHFFFAOYSA-N	-1	0	382.402	0.701	20	5		GCBDRM
CCN1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@H]1C	ZINC000825453238	608238272	/nfs/dbraw/zinc/23/82/72/608238272.db2.gz	UQOQEYCBULIOGH-GHMZBOCLSA-N	-1	0	395.445	0.878	20	5		GCBDRM
CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825247096	608239399	/nfs/dbraw/zinc/23/93/99/608239399.db2.gz	ANFNPGISSRCETE-SNVBAGLBSA-N	-1	0	395.401	0.064	20	5		GCBDRM
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[nH]n1)OCCO2	ZINC000826498153	608306230	/nfs/dbraw/zinc/30/62/30/608306230.db2.gz	JBNLQFNTWURMCF-UHFFFAOYSA-N	-1	0	394.329	0.070	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C(C)(C)C1	ZINC000826038801	608342791	/nfs/dbraw/zinc/34/27/91/608342791.db2.gz	XTKPDVRCCVGORV-UHFFFAOYSA-N	-1	0	381.418	0.490	20	5		GCBDRM
COC1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000826143858	608421789	/nfs/dbraw/zinc/42/17/89/608421789.db2.gz	SPTBRWQYZOGPNQ-UHFFFAOYSA-N	-1	0	382.402	0.965	20	5		GCBDRM
CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826227302	608422088	/nfs/dbraw/zinc/42/20/88/608422088.db2.gz	OXVCDAOLMWKJRZ-CBAPKCEASA-N	-1	0	388.431	0.166	20	5		GCBDRM
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ncccc2-c2nn[nH]n2)CC1	ZINC000826470542	609500192	/nfs/dbraw/zinc/50/01/92/609500192.db2.gz	UDIQMHZVFUXACQ-UHFFFAOYSA-N	-1	0	396.367	0.838	20	5		GCBDRM
CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732621841	639812821	/nfs/dbraw/zinc/81/28/21/639812821.db2.gz	CNEQSDVDVCIUAT-VIFPVBQESA-N	-1	0	397.456	0.275	20	5		GCBDRM
C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)CS2	ZINC000732619963	639813014	/nfs/dbraw/zinc/81/30/14/639813014.db2.gz	FXYXHQLPFZMXSZ-QPUJVOFHSA-N	-1	0	391.452	0.915	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1C	ZINC000916772715	639835184	/nfs/dbraw/zinc/83/51/84/639835184.db2.gz	GOQZGBRFGYLSBL-LLVKDONJSA-N	-1	0	390.439	0.841	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000917446039	639852211	/nfs/dbraw/zinc/85/22/11/639852211.db2.gz	SVWKDUIYYPVAOA-NSHDSACASA-N	-1	0	391.427	0.132	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(=O)[nH]c1=O	ZINC000920334173	639920475	/nfs/dbraw/zinc/92/04/75/639920475.db2.gz	WTFQHGKQYHIXPO-UHFFFAOYSA-N	-1	0	388.745	0.166	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc([N+](=O)[O-])c1	ZINC000920326127	639920688	/nfs/dbraw/zinc/92/06/88/639920688.db2.gz	LUUMHJPFGBJPKI-UHFFFAOYSA-N	-1	0	377.400	0.069	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2S(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000734737451	640001006	/nfs/dbraw/zinc/00/10/06/640001006.db2.gz	LQOORYYGHRNMCE-LBPRGKRZSA-N	-1	0	391.427	0.132	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000840790518	640151329	/nfs/dbraw/zinc/15/13/29/640151329.db2.gz	UKGOAJHZJCUUKS-VXNVDRBHSA-N	-1	0	384.288	0.822	20	5		GCBDRM
CCCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000739207921	640183501	/nfs/dbraw/zinc/18/35/01/640183501.db2.gz	IFGSMNVAMKYSSF-UHFFFAOYSA-N	-1	0	379.416	0.071	20	5		GCBDRM
O=C([N-]N1CC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1I	ZINC000743290283	640254022	/nfs/dbraw/zinc/25/40/22/640254022.db2.gz	KCQYXCXCDLLVOO-UHFFFAOYSA-N	-1	0	390.093	0.396	20	5		GCBDRM
CCN(C)S(=O)(=O)[N-]C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000744242337	640266264	/nfs/dbraw/zinc/26/62/64/640266264.db2.gz	YLCKIICSYSAQHI-UHFFFAOYSA-N	-1	0	376.416	0.099	20	5		GCBDRM
O=C([N-]S(=O)(=O)CCCF)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000747130457	640303857	/nfs/dbraw/zinc/30/38/57/640303857.db2.gz	MTXFIKDOZSILAM-UHFFFAOYSA-N	-1	0	375.378	0.851	20	5		GCBDRM
CC(C)CS(=O)(=O)[N-]C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000749072241	640336232	/nfs/dbraw/zinc/33/62/32/640336232.db2.gz	QYQKQAWKVGZHGT-UHFFFAOYSA-N	-1	0	375.428	0.888	20	5		GCBDRM
CCC(=O)N[C@@H](CCSC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750758244	640367386	/nfs/dbraw/zinc/36/73/86/640367386.db2.gz	XYPAXMXVLVIJSG-JTQLQIEISA-N	-1	0	390.443	0.443	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)ccc1=O	ZINC000754675448	640457287	/nfs/dbraw/zinc/45/72/87/640457287.db2.gz	SBGJSFGEDYBEGA-UHFFFAOYSA-N	-1	0	386.773	0.648	20	5		GCBDRM
CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000754684915	640457992	/nfs/dbraw/zinc/45/79/92/640457992.db2.gz	UHQURBJSWJDMAK-UHFFFAOYSA-N	-1	0	392.821	0.798	20	5		GCBDRM
COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000759166224	640544310	/nfs/dbraw/zinc/54/43/10/640544310.db2.gz	GFMUTTPMCQUZHI-UHFFFAOYSA-N	-1	0	379.778	0.158	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1	ZINC000759508024	640550850	/nfs/dbraw/zinc/55/08/50/640550850.db2.gz	DDTHLJNUDLICTQ-UHFFFAOYSA-N	-1	0	389.346	0.663	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	ZINC000759514471	640552235	/nfs/dbraw/zinc/55/22/35/640552235.db2.gz	YRIRJEXYCCGFNC-UHFFFAOYSA-N	-1	0	385.383	0.832	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000761002221	640585286	/nfs/dbraw/zinc/58/52/86/640585286.db2.gz	DURWKNSSWRAWFD-QMMMGPOBSA-N	-1	0	375.790	0.888	20	5		GCBDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000762740704	640615233	/nfs/dbraw/zinc/61/52/33/640615233.db2.gz	TXXVIRJLSRAKHW-UHFFFAOYSA-N	-1	0	390.439	0.880	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000768214733	640747228	/nfs/dbraw/zinc/74/72/28/640747228.db2.gz	WOJXRMPAMKCGCS-UHFFFAOYSA-N	-1	0	378.428	0.796	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000768220300	640747671	/nfs/dbraw/zinc/74/76/71/640747671.db2.gz	QEYCOVYTVLWKIX-UHFFFAOYSA-N	-1	0	376.387	0.255	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1	ZINC000772204844	640839875	/nfs/dbraw/zinc/83/98/75/640839875.db2.gz	YKFQCAQJQFDDCP-DGCLKSJQSA-N	-1	0	386.407	0.991	20	5		GCBDRM
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)C1=O	ZINC000774101777	640877886	/nfs/dbraw/zinc/87/78/86/640877886.db2.gz	IECISFRIGIQZML-LURJTMIESA-N	-1	0	376.778	0.114	20	5		GCBDRM
Cn1c(Cl)ncc1S(=O)(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776536622	641100323	/nfs/dbraw/zinc/10/03/23/641100323.db2.gz	KDQCAYLQDRHOSK-VIFPVBQESA-N	-1	0	388.789	0.956	20	5		GCBDRM
COC[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776627381	641108215	/nfs/dbraw/zinc/10/82/15/641108215.db2.gz	UHQPEXVTYBMISZ-QMMMGPOBSA-N	-1	0	383.176	0.735	20	5		GCBDRM
COC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000776627518	641108355	/nfs/dbraw/zinc/10/83/55/641108355.db2.gz	VJMCCESKPGTFNH-QMMMGPOBSA-N	-1	0	383.176	0.735	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000776627256	641108359	/nfs/dbraw/zinc/10/83/59/641108359.db2.gz	HUFSAMORWGMAHL-UHFFFAOYSA-N	-1	0	389.777	0.711	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000776714104	641113884	/nfs/dbraw/zinc/11/38/84/641113884.db2.gz	GDMCQYNUEWALLP-SDWAUSNYSA-N	-1	0	396.830	0.763	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1=O	ZINC000782130555	641243590	/nfs/dbraw/zinc/24/35/90/641243590.db2.gz	JHXMSAWTOYWCTH-UHFFFAOYSA-N	-1	0	393.175	0.445	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)n1	ZINC000805948982	641425875	/nfs/dbraw/zinc/42/58/75/641425875.db2.gz	RJRDZIRZWNEPOW-UHFFFAOYSA-N	-1	0	388.387	0.345	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCS1(=O)=O	ZINC000791761633	641436373	/nfs/dbraw/zinc/43/63/73/641436373.db2.gz	DQEAXQXSAMQXBQ-GFCCVEGCSA-N	-1	0	376.412	0.508	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)ccc1[N+](=O)[O-]	ZINC000791815963	641438527	/nfs/dbraw/zinc/43/85/27/641438527.db2.gz	ZSVAVRIRYTWTPZ-GFCCVEGCSA-N	-1	0	376.412	0.675	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)ccc1[N+](=O)[O-]	ZINC000791829709	641438701	/nfs/dbraw/zinc/43/87/01/641438701.db2.gz	AEECHBOICAALGS-LBPRGKRZSA-N	-1	0	392.411	0.376	20	5		GCBDRM
NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000795175100	641510757	/nfs/dbraw/zinc/51/07/57/641510757.db2.gz	NEORUKOOBCORIP-ZCFIWIBFSA-N	-1	0	397.196	0.810	20	5		GCBDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000797297695	641564444	/nfs/dbraw/zinc/56/44/44/641564444.db2.gz	LNVAZZMGNHDUSH-LURJTMIESA-N	-1	0	395.187	0.978	20	5		GCBDRM
COCC1(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CCOCC1	ZINC000810537726	641732745	/nfs/dbraw/zinc/73/27/45/641732745.db2.gz	CYCZHIOGLFAIBV-UHFFFAOYSA-N	-1	0	376.362	0.982	20	5		GCBDRM
Cn1cnc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1	ZINC000810595454	641734219	/nfs/dbraw/zinc/73/42/19/641734219.db2.gz	CJYUCNDGYJATTB-UHFFFAOYSA-N	-1	0	390.175	0.605	20	5		GCBDRM
COCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCOCC1	ZINC000810633212	641734718	/nfs/dbraw/zinc/73/47/18/641734718.db2.gz	CWJYDSDADUWFKY-UHFFFAOYSA-N	-1	0	376.362	0.982	20	5		GCBDRM
CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000816713498	641859226	/nfs/dbraw/zinc/85/92/26/641859226.db2.gz	RKUJEVALUMHIJX-UHFFFAOYSA-N	-1	0	377.400	0.184	20	5		GCBDRM
O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)N=S2(=O)CCCC2)c1	ZINC000821140064	641978523	/nfs/dbraw/zinc/97/85/23/641978523.db2.gz	KRHGBZKZYCUAMF-UHFFFAOYSA-N	-1	0	378.432	0.918	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cncc(-n2ccnn2)c1	ZINC000802082641	642143300	/nfs/dbraw/zinc/14/33/00/642143300.db2.gz	WWGDZAZJWLYCAT-UHFFFAOYSA-N	-1	0	380.367	0.751	20	5		GCBDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000802163788	642148295	/nfs/dbraw/zinc/14/82/95/642148295.db2.gz	KJWPVABMRUSTHG-RKDXNWHRSA-N	-1	0	376.391	0.170	20	5		GCBDRM
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C	ZINC000803032918	642168353	/nfs/dbraw/zinc/16/83/53/642168353.db2.gz	CJAVTVLTECZTLJ-UHFFFAOYSA-N	-1	0	376.391	0.518	20	5		GCBDRM
O=C(CS(=O)(=O)C1CC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000835027813	642220742	/nfs/dbraw/zinc/22/07/42/642220742.db2.gz	GPFWFQWTOGURHW-UHFFFAOYSA-N	-1	0	382.803	0.630	20	5		GCBDRM
C[C@](O)(CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000841782778	642319314	/nfs/dbraw/zinc/31/93/14/642319314.db2.gz	FKRQQBJROPRZFK-JTQLQIEISA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([O-])c1cn([C@H]2CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)nn1	ZINC000843298750	642366849	/nfs/dbraw/zinc/36/68/49/642366849.db2.gz	OWMQLRNOGFFJFU-QMMMGPOBSA-N	-1	0	387.399	0.972	20	5		GCBDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000846003455	642466274	/nfs/dbraw/zinc/46/62/74/642466274.db2.gz	BTCGUIUWQJDENC-UHFFFAOYSA-N	-1	0	382.192	0.703	20	5		GCBDRM
CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000846133099	642474093	/nfs/dbraw/zinc/47/40/93/642474093.db2.gz	VTPFQAFKVLXCCY-UHFFFAOYSA-N	-1	0	389.162	0.480	20	5		GCBDRM
CCC(=O)N[C@H](CCSC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847892666	642524575	/nfs/dbraw/zinc/52/45/75/642524575.db2.gz	FUEUBOPFPXQPKW-SNVBAGLBSA-N	-1	0	390.443	0.443	20	5		GCBDRM
COCCCOCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000850735754	642695577	/nfs/dbraw/zinc/69/55/77/642695577.db2.gz	BZABWKNAFXBEQT-UHFFFAOYSA-N	-1	0	376.387	0.852	20	5		GCBDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)[C@@H]1CCOC1	ZINC000850859588	642699849	/nfs/dbraw/zinc/69/98/49/642699849.db2.gz	RSAMHIMISMTXIR-KRTXAFLBSA-N	-1	0	393.805	0.687	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@]12CCC(=O)N1CCS2	ZINC000850888028	642701304	/nfs/dbraw/zinc/70/13/04/642701304.db2.gz	GOVUETSLCFXDKG-ZDUSSCGKSA-N	-1	0	389.386	0.604	20	5		GCBDRM
O=C(CCS(=O)(=O)C1CCCC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851328000	642716857	/nfs/dbraw/zinc/71/68/57/642716857.db2.gz	RYOYVOOSTJPDGW-UHFFFAOYSA-N	-1	0	391.427	0.542	20	5		GCBDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)OC	ZINC000853202027	642788281	/nfs/dbraw/zinc/78/82/81/642788281.db2.gz	KQWJYUWFRKUYDR-MRVPVSSYSA-N	-1	0	376.343	0.045	20	5		GCBDRM
C[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CNC(=O)OC(C)(C)C	ZINC000859074450	642977807	/nfs/dbraw/zinc/97/78/07/642977807.db2.gz	BNAJJDWAJAMZPO-VIFPVBQESA-N	-1	0	377.423	0.767	20	5		GCBDRM
CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1	ZINC000860540599	643036680	/nfs/dbraw/zinc/03/66/80/643036680.db2.gz	CROQDYUBDJYDKO-QMMMGPOBSA-N	-1	0	397.456	0.133	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000570581839	1192412438	/nfs/dbraw/zinc/41/24/38/1192412438.db2.gz	NPXADTALLIDXPL-ABAIWWIYSA-N	-1	0	386.382	0.715	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1OC	ZINC001167862094	1192513936	/nfs/dbraw/zinc/51/39/36/1192513936.db2.gz	YJIUXDNFESMNOX-KGFZYKRKSA-N	-1	0	389.342	0.204	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC(=O)N(CC2CC2)C1	ZINC000432746682	1192654217	/nfs/dbraw/zinc/65/42/17/1192654217.db2.gz	DYCUFODUTWOKQB-UHFFFAOYSA-N	-1	0	383.382	0.802	20	5		GCBDRM
NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471115093	1184172062	/nfs/dbraw/zinc/17/20/62/1184172062.db2.gz	GVEFHPNYKGDIHB-AWEZNQCLSA-N	-1	0	391.361	0.898	20	5		GCBDRM
Cc1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc([N+](=O)[O-])c1F	ZINC000274932928	1184431735	/nfs/dbraw/zinc/43/17/35/1184431735.db2.gz	DORYMJVZFFHXRG-VIFPVBQESA-N	-1	0	389.361	0.254	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000274995757	1184451837	/nfs/dbraw/zinc/45/18/37/1184451837.db2.gz	ABQYDMGUTJXPQZ-NSHDSACASA-N	-1	0	384.370	0.311	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000274995753	1184451864	/nfs/dbraw/zinc/45/18/64/1184451864.db2.gz	ABQYDMGUTJXPQZ-LLVKDONJSA-N	-1	0	384.370	0.311	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1C	ZINC000274998071	1184453092	/nfs/dbraw/zinc/45/30/92/1184453092.db2.gz	AGLLORYDMKLIDG-ZDUSSCGKSA-N	-1	0	382.398	0.919	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1C	ZINC000275004308	1184456440	/nfs/dbraw/zinc/45/64/40/1184456440.db2.gz	ORAOHWUWHPVYEU-ZDUSSCGKSA-N	-1	0	387.414	0.275	20	5		GCBDRM
O=C([O-])CC[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000275028866	1184467131	/nfs/dbraw/zinc/46/71/31/1184467131.db2.gz	TYNFEJPIQNWIGH-LBPRGKRZSA-N	-1	0	387.414	0.439	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2CCc3nc[nH]c(=O)c3C2)cc1[N+](=O)[O-]	ZINC000275032435	1184467876	/nfs/dbraw/zinc/46/78/76/1184467876.db2.gz	AJFGTAIIOBMRKJ-UHFFFAOYSA-N	-1	0	384.345	0.985	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1C	ZINC000275056082	1184480811	/nfs/dbraw/zinc/48/08/11/1184480811.db2.gz	YBMRHYPWBFGNEP-NSHDSACASA-N	-1	0	385.398	0.423	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000275088709	1184503621	/nfs/dbraw/zinc/50/36/21/1184503621.db2.gz	JWVVCDAWCIWLFZ-OCCSQVGLSA-N	-1	0	397.409	0.432	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000275090470	1184505183	/nfs/dbraw/zinc/50/51/83/1184505183.db2.gz	KELGZDDCEPXWGG-AAEUAGOBSA-N	-1	0	397.409	0.599	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)C1	ZINC000275107755	1184511815	/nfs/dbraw/zinc/51/18/15/1184511815.db2.gz	MMRVHRDTSVSWLC-WDEREUQCSA-N	-1	0	383.382	0.291	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)ccc1[N+](=O)[O-]	ZINC000275132340	1184528634	/nfs/dbraw/zinc/52/86/34/1184528634.db2.gz	PGDKUIVESVNYLY-NWDGAFQWSA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1C	ZINC000275138929	1184529506	/nfs/dbraw/zinc/52/95/06/1184529506.db2.gz	PZFQTFIXOIOCRV-ZYHUDNBSSA-N	-1	0	385.398	0.551	20	5		GCBDRM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC000275145689	1184532401	/nfs/dbraw/zinc/53/24/01/1184532401.db2.gz	QXLVDLBVFLOOAX-KOLCDFICSA-N	-1	0	383.382	0.275	20	5		GCBDRM
COc1ccc(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000547889959	1184734780	/nfs/dbraw/zinc/73/47/80/1184734780.db2.gz	CDPZDYKTWFDTPR-LLVKDONJSA-N	-1	0	398.397	0.559	20	5		GCBDRM
C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21	ZINC000547911130	1184754222	/nfs/dbraw/zinc/75/42/22/1184754222.db2.gz	KHQYZZAPZICJTE-SNVBAGLBSA-N	-1	0	383.382	0.989	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)[O-])cn3)C2)c([N+](=O)[O-])n1	ZINC000547918222	1184769209	/nfs/dbraw/zinc/76/92/09/1184769209.db2.gz	NKXNKIWUUVQEIL-LLVKDONJSA-N	-1	0	398.401	0.732	20	5		GCBDRM
O=C(CCn1ccccc1=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000748118286	1184791722	/nfs/dbraw/zinc/79/17/22/1184791722.db2.gz	ZYOFHKQJQHQFMH-UHFFFAOYSA-N	-1	0	396.337	0.560	20	5		GCBDRM
C[C@@](CO)(CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-]	ZINC000275649843	1184857354	/nfs/dbraw/zinc/85/73/54/1184857354.db2.gz	NTEYRMJJZWLRSO-AWEZNQCLSA-N	-1	0	390.370	0.118	20	5		GCBDRM
Cc1nn(CCC(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-]	ZINC000262089930	1185315580	/nfs/dbraw/zinc/31/55/80/1185315580.db2.gz	CJKIRNIHSOGQFT-ZDUSSCGKSA-N	-1	0	395.416	0.580	20	5		GCBDRM
COc1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc([N+](=O)[O-])c1OC	ZINC000262217833	1185408849	/nfs/dbraw/zinc/40/88/49/1185408849.db2.gz	KXMFXAFAIFDYSG-SECBINFHSA-N	-1	0	383.357	0.663	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000276834557	1186104899	/nfs/dbraw/zinc/10/48/99/1186104899.db2.gz	BNWBDBKVNMKAQD-ZYHUDNBSSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276888673	1186137465	/nfs/dbraw/zinc/13/74/65/1186137465.db2.gz	JTDUBKRBXAXYJI-GFCCVEGCSA-N	-1	0	382.398	0.919	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000548535145	1186304744	/nfs/dbraw/zinc/30/47/44/1186304744.db2.gz	MEZMBTBIRXUSDO-ZDUSSCGKSA-N	-1	0	387.414	0.275	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@@H](Cn2nc(C)cc2C)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000548537805	1186306244	/nfs/dbraw/zinc/30/62/44/1186306244.db2.gz	FZKQKQXSULZKEW-LBPRGKRZSA-N	-1	0	398.397	0.848	20	5		GCBDRM
Cc1cc(C)n(C[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])n1	ZINC000548538384	1186307748	/nfs/dbraw/zinc/30/77/48/1186307748.db2.gz	ZFWLXKOIQGOBMB-CYBMUJFWSA-N	-1	0	382.398	0.981	20	5		GCBDRM
Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])n1	ZINC000548548243	1186310353	/nfs/dbraw/zinc/31/03/53/1186310353.db2.gz	JZLIDWVXZAUFKO-GFCCVEGCSA-N	-1	0	386.361	0.979	20	5		GCBDRM
COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c[nH]1	ZINC000548555696	1186315572	/nfs/dbraw/zinc/31/55/72/1186315572.db2.gz	WIFWHPCBIMYVBE-GFCCVEGCSA-N	-1	0	397.365	0.684	20	5		GCBDRM
COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000538871330	1186329177	/nfs/dbraw/zinc/32/91/77/1186329177.db2.gz	AYTWUXIOKSPYND-UHFFFAOYSA-N	-1	0	384.370	0.806	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1	ZINC000551268469	1186405775	/nfs/dbraw/zinc/40/57/75/1186405775.db2.gz	FXJNKOHXFKPHON-UONOGXRCSA-N	-1	0	399.425	0.695	20	5		GCBDRM
Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000582152418	1186442679	/nfs/dbraw/zinc/44/26/79/1186442679.db2.gz	UEEXLOAECJXUJS-UHFFFAOYSA-N	-1	0	398.397	0.673	20	5		GCBDRM
CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000278151682	1186804838	/nfs/dbraw/zinc/80/48/38/1186804838.db2.gz	OMMAWQNTROVJGT-JTQLQIEISA-N	-1	0	390.370	0.678	20	5		GCBDRM
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000583992668	1186974348	/nfs/dbraw/zinc/97/43/48/1186974348.db2.gz	XOYPMTMTPZTEJA-CQSZACIVSA-N	-1	0	384.414	0.511	20	5		GCBDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)cn1	ZINC000536184065	1186974754	/nfs/dbraw/zinc/97/47/54/1186974754.db2.gz	PURXYNLHOWYKCX-UHFFFAOYSA-N	-1	0	380.342	0.641	20	5		GCBDRM
CC(=O)N1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000583998237	1186976103	/nfs/dbraw/zinc/97/61/03/1186976103.db2.gz	LDJOTVQBRROEGA-UHFFFAOYSA-N	-1	0	385.398	0.830	20	5		GCBDRM
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000782628088	1187549478	/nfs/dbraw/zinc/54/94/78/1187549478.db2.gz	YQLRTCPZOGFCHO-UHFFFAOYSA-N	-1	0	398.784	0.878	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)ccc1[N+](=O)[O-]	ZINC000579959158	1187652403	/nfs/dbraw/zinc/65/24/03/1187652403.db2.gz	GNWOPZQDYMCYNZ-YPMHNXCESA-N	-1	0	383.382	0.725	20	5		GCBDRM
NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC000580453244	1187685024	/nfs/dbraw/zinc/68/50/24/1187685024.db2.gz	SIUSJHUSHSIPOH-MGCOHNPYSA-N	-1	0	385.398	0.863	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1	ZINC000582590250	1187757042	/nfs/dbraw/zinc/75/70/42/1187757042.db2.gz	IFUJBGJJDSYWMT-ZYHUDNBSSA-N	-1	0	385.398	0.551	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)c1	ZINC000414341848	1187841760	/nfs/dbraw/zinc/84/17/60/1187841760.db2.gz	LXPTXKSPWYKHEU-GHMZBOCLSA-N	-1	0	383.382	0.725	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)c1	ZINC000414341849	1187842180	/nfs/dbraw/zinc/84/21/80/1187842180.db2.gz	LXPTXKSPWYKHEU-MNOVXSKESA-N	-1	0	383.382	0.725	20	5		GCBDRM
NC(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000066696298	1187924438	/nfs/dbraw/zinc/92/44/38/1187924438.db2.gz	NCSJKZUSOOYRKL-UHFFFAOYSA-N	-1	0	378.366	0.611	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1[N+](=O)[O-]	ZINC000417445889	1189665677	/nfs/dbraw/zinc/66/56/77/1189665677.db2.gz	ISFCLOMYRTXLOO-TZMCWYRMSA-N	-1	0	399.425	0.892	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O	ZINC000417445164	1189665712	/nfs/dbraw/zinc/66/57/12/1189665712.db2.gz	FRZSNNNNCQFVKZ-STQMWFEESA-N	-1	0	385.398	0.583	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448344	1189667473	/nfs/dbraw/zinc/66/74/73/1189667473.db2.gz	UGRIAKRBNCXNII-GXTWGEPZSA-N	-1	0	399.425	0.892	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cn1	ZINC000759822766	1189763201	/nfs/dbraw/zinc/76/32/01/1189763201.db2.gz	DTHNSQHVNSSEFI-UHFFFAOYSA-N	-1	0	397.365	0.891	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cn1	ZINC000759834720	1189774380	/nfs/dbraw/zinc/77/43/80/1189774380.db2.gz	VIEGELPPYPESAO-UHFFFAOYSA-N	-1	0	391.365	0.853	20	5		GCBDRM
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000511738575	1189839079	/nfs/dbraw/zinc/83/90/79/1189839079.db2.gz	QEBZIVHYCKMFPL-ZDUSSCGKSA-N	-1	0	392.412	0.306	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432120449	1189878342	/nfs/dbraw/zinc/87/83/42/1189878342.db2.gz	ABQMWIKBJHCLOB-OLZOCXBDSA-N	-1	0	385.398	0.883	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(-c3cnn(C)c3)nn2)c([N+](=O)[O-])n1	ZINC000433136574	1193762731	/nfs/dbraw/zinc/76/27/31/1193762731.db2.gz	YAHABKFRNFPXHU-UHFFFAOYSA-N	-1	0	378.374	0.803	20	5		GCBDRM
CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1	ZINC001211796364	1193767145	/nfs/dbraw/zinc/76/71/45/1193767145.db2.gz	GDRJAOIMTGGYPB-SNVBAGLBSA-N	-1	0	393.443	0.345	20	5		GCBDRM
CC(=O)N1CCC(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000576640864	1193923891	/nfs/dbraw/zinc/92/38/91/1193923891.db2.gz	ZFJJUAFYOWXKCZ-UHFFFAOYSA-N	-1	0	385.398	0.830	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-]	ZINC000518383304	1194074668	/nfs/dbraw/zinc/07/46/68/1194074668.db2.gz	JJMPULDKWBNPOF-LLVKDONJSA-N	-1	0	397.409	0.926	20	5		GCBDRM
CCCN1C[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1=O	ZINC000421811724	1194366819	/nfs/dbraw/zinc/36/68/19/1194366819.db2.gz	JKZOXKKIYBOQSR-JTQLQIEISA-N	-1	0	385.398	0.830	20	5		GCBDRM
Cc1c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000422582109	1194672166	/nfs/dbraw/zinc/67/21/66/1194672166.db2.gz	SXCHPPNENAZQRE-SCZZXKLOSA-N	-1	0	385.398	0.876	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC000422667799	1194685516	/nfs/dbraw/zinc/68/55/16/1194685516.db2.gz	AJKRCLYJDYQRTG-MRVPVSSYSA-N	-1	0	384.320	0.110	20	5		GCBDRM
CN(CCCC(=O)[O-])C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000422714550	1194693817	/nfs/dbraw/zinc/69/38/17/1194693817.db2.gz	RFXUNXHQOWDJTO-UHFFFAOYSA-N	-1	0	378.385	0.567	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422725268	1194695044	/nfs/dbraw/zinc/69/50/44/1194695044.db2.gz	XSTCEIZTTBTXQU-PWSUYJOCSA-N	-1	0	379.369	0.789	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422725261	1194695175	/nfs/dbraw/zinc/69/51/75/1194695175.db2.gz	XSTCEIZTTBTXQU-CMPLNLGQSA-N	-1	0	379.369	0.789	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000422915732	1194707870	/nfs/dbraw/zinc/70/78/70/1194707870.db2.gz	BRGHWLQWGMPRJK-QGZVFWFLSA-N	-1	0	377.353	0.508	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCS1(=O)=O	ZINC000424231638	1194806471	/nfs/dbraw/zinc/80/64/71/1194806471.db2.gz	BIZHPTIDUQXWCE-ZDUSSCGKSA-N	-1	0	394.365	0.104	20	5		GCBDRM
C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-]	ZINC000424244172	1194807327	/nfs/dbraw/zinc/80/73/27/1194807327.db2.gz	JDQXGQCDXICHJA-IINYFYTJSA-N	-1	0	385.398	0.585	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC000424393934	1194810058	/nfs/dbraw/zinc/81/00/58/1194810058.db2.gz	SGDQAKJRXUVLKO-VIFPVBQESA-N	-1	0	397.369	0.166	20	5		GCBDRM
CC(C)NC(=O)c1ccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000424463460	1194813523	/nfs/dbraw/zinc/81/35/23/1194813523.db2.gz	CKXXLVQNEDHEJH-CYBMUJFWSA-N	-1	0	385.398	0.421	20	5		GCBDRM
CC(C)C[C@@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)[O-]	ZINC000424488232	1194816317	/nfs/dbraw/zinc/81/63/17/1194816317.db2.gz	JYBCVEZPEHHGBC-LBPRGKRZSA-N	-1	0	395.416	0.818	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(C)C(=O)C1	ZINC000424593298	1194826217	/nfs/dbraw/zinc/82/62/17/1194826217.db2.gz	CVUSPHXEJVMVAS-SNVBAGLBSA-N	-1	0	385.398	0.748	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1	ZINC000515203366	1194957096	/nfs/dbraw/zinc/95/70/96/1194957096.db2.gz	QALDJYQZHXZAMK-GJZGRUSLSA-N	-1	0	380.378	0.930	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1	ZINC000515203265	1194957156	/nfs/dbraw/zinc/95/71/56/1194957156.db2.gz	IMCGGEFECHYRDP-HIFRSBDPSA-N	-1	0	380.378	0.930	20	5		GCBDRM
CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1O	ZINC000436796686	1195037349	/nfs/dbraw/zinc/03/73/49/1195037349.db2.gz	KLJTUPLOGPYMAR-UKRRQHHQSA-N	-1	0	395.412	0.759	20	5		GCBDRM
C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000436971860	1195051779	/nfs/dbraw/zinc/05/17/79/1195051779.db2.gz	LJCZBCXPWAEAOU-CYBMUJFWSA-N	-1	0	392.412	0.306	20	5		GCBDRM
CCC(CC)(NC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1)C(N)=O	ZINC000516672414	1195081658	/nfs/dbraw/zinc/08/16/58/1195081658.db2.gz	POTFPNHAFAVPNV-UHFFFAOYSA-N	-1	0	378.385	0.533	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)[C@@H]1CCOC1	ZINC000516698606	1195085442	/nfs/dbraw/zinc/08/54/42/1195085442.db2.gz	RLFNVXJSDIWBCI-NOZJJQNGSA-N	-1	0	381.366	0.911	20	5		GCBDRM
COCCn1cc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])cn1	ZINC000519162871	1195374999	/nfs/dbraw/zinc/37/49/99/1195374999.db2.gz	JHXYGCLDLLVMQS-UHFFFAOYSA-N	-1	0	384.370	0.614	20	5		GCBDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)c([N+](=O)[O-])c1	ZINC000509613442	1195420568	/nfs/dbraw/zinc/42/05/68/1195420568.db2.gz	LWYVZUVHQPSLJV-UHFFFAOYSA-N	-1	0	392.393	0.919	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOC)c2)c([N+](=O)[O-])n1	ZINC000507639238	1195540939	/nfs/dbraw/zinc/54/09/39/1195540939.db2.gz	WBCIPWQDNDYKLG-UHFFFAOYSA-N	-1	0	397.413	0.988	20	5		GCBDRM
O=C([O-])C1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1	ZINC000574693832	1195791855	/nfs/dbraw/zinc/79/18/55/1195791855.db2.gz	MDHWUZAOQULYJA-UHFFFAOYSA-N	-1	0	385.398	0.634	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000428040264	1195905179	/nfs/dbraw/zinc/90/51/79/1195905179.db2.gz	IXLJMVRGTGMKJM-ZDUSSCGKSA-N	-1	0	387.414	0.879	20	5		GCBDRM
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NN1CCCCC1=O	ZINC000280882448	1196264044	/nfs/dbraw/zinc/26/40/44/1196264044.db2.gz	GDSWLPVFWNXXRZ-UHFFFAOYSA-N	-1	0	377.386	0.927	20	5		GCBDRM
O=C(NCCc1nc(=O)o[n-]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000447631807	1196735276	/nfs/dbraw/zinc/73/52/76/1196735276.db2.gz	BCBDYGQLKQJZNE-MRVPVSSYSA-N	-1	0	381.370	0.296	20	5		GCBDRM
CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1	ZINC000263014285	1197221112	/nfs/dbraw/zinc/22/11/12/1197221112.db2.gz	LTHVHOMICBUNNE-OLZOCXBDSA-N	-1	0	375.341	0.880	20	5		GCBDRM
O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1	ZINC000618900533	1197224866	/nfs/dbraw/zinc/22/48/66/1197224866.db2.gz	GNJYZQDVZZLNLZ-MEBBXXQBSA-N	-1	0	395.393	0.989	20	5		GCBDRM
O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1	ZINC000618900534	1197224965	/nfs/dbraw/zinc/22/49/65/1197224965.db2.gz	GNJYZQDVZZLNLZ-ZUZCIYMTSA-N	-1	0	395.393	0.989	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nnnn1C	ZINC001213953161	1197495192	/nfs/dbraw/zinc/49/51/92/1197495192.db2.gz	VQSFEMKLMGOMBO-LURJTMIESA-N	-1	0	391.207	0.920	20	5		GCBDRM
O=C([O-])c1coc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000542766624	1199032338	/nfs/dbraw/zinc/03/23/38/1199032338.db2.gz	BPQYQNSUHXGQDC-UHFFFAOYSA-N	-1	0	383.338	0.594	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1c2ccccc2[N-]S1(=O)=O	ZINC000429906313	1199734787	/nfs/dbraw/zinc/73/47/87/1199734787.db2.gz	WXUNXQSZQYSCTK-UHFFFAOYSA-N	-1	0	394.413	0.783	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)c([N+](=O)[O-])c1	ZINC000503981327	1200836499	/nfs/dbraw/zinc/83/64/99/1200836499.db2.gz	IPGQHHQPECYRRJ-UHFFFAOYSA-N	-1	0	378.326	0.620	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)c([N+](=O)[O-])n1	ZINC000611107273	1201216674	/nfs/dbraw/zinc/21/66/74/1201216674.db2.gz	FDXXNWDQJYKFIA-LBPRGKRZSA-N	-1	0	385.446	0.881	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000727190856	1201351165	/nfs/dbraw/zinc/35/11/65/1201351165.db2.gz	ZCQSVLZMMJGAIN-UHFFFAOYSA-N	-1	0	392.349	0.322	20	5		GCBDRM
C[C@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000729908488	1201419535	/nfs/dbraw/zinc/41/95/35/1201419535.db2.gz	HHPBZKDMLKTUNI-NSHDSACASA-N	-1	0	379.398	0.994	20	5		GCBDRM
C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000729908679	1201419598	/nfs/dbraw/zinc/41/95/98/1201419598.db2.gz	URRCFTSAEWYAFS-LLVKDONJSA-N	-1	0	379.398	0.994	20	5		GCBDRM
C[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000730658032	1201460411	/nfs/dbraw/zinc/46/04/11/1201460411.db2.gz	VFRSNZXTCFZJAV-SECBINFHSA-N	-1	0	386.324	0.550	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732498458	1201546113	/nfs/dbraw/zinc/54/61/13/1201546113.db2.gz	YBXZOLZNHIPLRU-SNVBAGLBSA-N	-1	0	386.386	0.249	20	5		GCBDRM
COc1c(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c(C)nn1C	ZINC000732900160	1201570704	/nfs/dbraw/zinc/57/07/04/1201570704.db2.gz	XYMINEYVNSKEED-UHFFFAOYSA-N	-1	0	384.370	0.773	20	5		GCBDRM
O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000733687162	1201603556	/nfs/dbraw/zinc/60/35/56/1201603556.db2.gz	WRKMDVMLLKVSMH-SNVBAGLBSA-N	-1	0	389.342	0.504	20	5		GCBDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	ZINC000733716398	1201604530	/nfs/dbraw/zinc/60/45/30/1201604530.db2.gz	HWJAHFPCHLBMNY-VIFPVBQESA-N	-1	0	383.386	0.578	20	5		GCBDRM
O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733724340	1201605890	/nfs/dbraw/zinc/60/58/90/1201605890.db2.gz	SCKUTTIENLWALN-ZJUUUORDSA-N	-1	0	387.370	0.027	20	5		GCBDRM
O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733724337	1201605893	/nfs/dbraw/zinc/60/58/93/1201605893.db2.gz	SCKUTTIENLWALN-NXEZZACHSA-N	-1	0	387.370	0.027	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	ZINC000734090043	1201642044	/nfs/dbraw/zinc/64/20/44/1201642044.db2.gz	VJBUPBKWNQRWJY-UHFFFAOYSA-N	-1	0	383.382	0.949	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(OCC(N)=O)cc2)ccc1[N+](=O)[O-]	ZINC000734737057	1201661571	/nfs/dbraw/zinc/66/15/71/1201661571.db2.gz	LDGBPKXFHVPODA-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000741109438	1201757756	/nfs/dbraw/zinc/75/77/56/1201757756.db2.gz	XMOQHIYQKSLUNG-UHFFFAOYSA-N	-1	0	382.354	0.458	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000741112336	1201757819	/nfs/dbraw/zinc/75/78/19/1201757819.db2.gz	UQTXPQLQJZNAPW-UHFFFAOYSA-N	-1	0	383.342	0.903	20	5		GCBDRM
COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)cc1	ZINC000741113405	1201757880	/nfs/dbraw/zinc/75/78/80/1201757880.db2.gz	QXJNHXRTAFIEBK-UHFFFAOYSA-N	-1	0	396.381	0.614	20	5		GCBDRM
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccn2c(=O)[nH]nc12	ZINC000766276363	1201786043	/nfs/dbraw/zinc/78/60/43/1201786043.db2.gz	JKCCEGHDOOXBGU-UHFFFAOYSA-N	-1	0	391.365	0.645	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)c2cccn3c(=O)[nH]nc23)ccc1[N+](=O)[O-]	ZINC000766277407	1201786227	/nfs/dbraw/zinc/78/62/27/1201786227.db2.gz	MNARXVMVFBQBBB-UHFFFAOYSA-N	-1	0	393.337	0.470	20	5		GCBDRM
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744266983	1201839486	/nfs/dbraw/zinc/83/94/86/1201839486.db2.gz	ARWXZLMUSULBIJ-UHFFFAOYSA-N	-1	0	395.271	0.199	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)Cc2cccnc2)cc([N+](=O)[O-])c1	ZINC000766911383	1201960815	/nfs/dbraw/zinc/96/08/15/1201960815.db2.gz	YKXWBTNVOWFXHQ-UHFFFAOYSA-N	-1	0	399.406	0.653	20	5		GCBDRM
C[C@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2[N+](=O)[O-])C1	ZINC000766927078	1201961452	/nfs/dbraw/zinc/96/14/52/1201961452.db2.gz	LOCGJVNLBCXBNT-JTQLQIEISA-N	-1	0	384.414	0.376	20	5		GCBDRM
Cn1[nH]c(COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)nc1=O	ZINC000769670900	1202067940	/nfs/dbraw/zinc/06/79/40/1202067940.db2.gz	WJBYZQPWNJOOPU-UHFFFAOYSA-N	-1	0	375.297	0.027	20	5		GCBDRM
Cn1ncc2c1nc(N[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[nH]c2=O	ZINC000769831940	1202075070	/nfs/dbraw/zinc/07/50/70/1202075070.db2.gz	IWTQBLANADIMPV-UHFFFAOYSA-N	-1	0	399.776	0.936	20	5		GCBDRM
C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770777003	1202112743	/nfs/dbraw/zinc/11/27/43/1202112743.db2.gz	TZWXGNQMTCODOG-MRVPVSSYSA-N	-1	0	385.329	0.950	20	5		GCBDRM
COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1	ZINC000789487969	1205441268	/nfs/dbraw/zinc/44/12/68/1205441268.db2.gz	YYPCEZOBMDJPCG-UHFFFAOYSA-N	-1	0	380.338	0.599	20	5		GCBDRM
COc1cc(C)c(S(=O)(=O)[N-]C(=O)Cn2cc([N+](=O)[O-])cn2)cc1OC	ZINC000789560279	1205443776	/nfs/dbraw/zinc/44/37/76/1205443776.db2.gz	DRYQEUMGCLFCJO-UHFFFAOYSA-N	-1	0	384.370	0.622	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccon1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000747182418	1205513296	/nfs/dbraw/zinc/51/32/96/1205513296.db2.gz	CNKHXVZYMOCQRW-SNVBAGLBSA-N	-1	0	398.353	0.427	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1	ZINC000747309845	1205551679	/nfs/dbraw/zinc/55/16/79/1205551679.db2.gz	STISHLVSWDMULG-UHFFFAOYSA-N	-1	0	378.326	0.346	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)c([N+](=O)[O-])c1	ZINC000810519273	1205639539	/nfs/dbraw/zinc/63/95/39/1205639539.db2.gz	LLOGSXHYWJJDTJ-VIFPVBQESA-N	-1	0	395.397	0.342	20	5		GCBDRM
Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)CC2	ZINC000810537819	1205639909	/nfs/dbraw/zinc/63/99/09/1205639909.db2.gz	HRYGCJDHBZNVIP-QMMMGPOBSA-N	-1	0	383.361	0.472	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cn(C2CCOCC2)nn1	ZINC000810657126	1205640674	/nfs/dbraw/zinc/64/06/74/1205640674.db2.gz	CANCSWRTUCQUCV-UHFFFAOYSA-N	-1	0	399.360	0.796	20	5		GCBDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1	ZINC000811157388	1205648183	/nfs/dbraw/zinc/64/81/83/1205648183.db2.gz	PWLDIGBDLMKDEJ-UHFFFAOYSA-N	-1	0	399.425	0.670	20	5		GCBDRM
CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cn1C	ZINC000812318249	1205663855	/nfs/dbraw/zinc/66/38/55/1205663855.db2.gz	WARSDKQYRRUBCH-UHFFFAOYSA-N	-1	0	382.354	0.297	20	5		GCBDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-]	ZINC000813943377	1205682187	/nfs/dbraw/zinc/68/21/87/1205682187.db2.gz	BXQTWHDWRQRBAU-UHFFFAOYSA-N	-1	0	384.414	0.296	20	5		GCBDRM
COc1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)c([N+](=O)[O-])cc1OC	ZINC000813952271	1205683665	/nfs/dbraw/zinc/68/36/65/1205683665.db2.gz	HRQVJEASBMTYIO-UHFFFAOYSA-N	-1	0	384.370	0.773	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000813991562	1205683914	/nfs/dbraw/zinc/68/39/14/1205683914.db2.gz	KTRGQJZSJXILMJ-UHFFFAOYSA-N	-1	0	378.370	0.492	20	5		GCBDRM
O=C(NC[C@@]12COCCN1C(=O)COC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001171793057	1205710066	/nfs/dbraw/zinc/71/00/66/1205710066.db2.gz	IPWBDRHNRAHQSL-HNNXBMFYSA-N	-1	0	385.760	0.311	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cnc(OC)nc2)c([N+](=O)[O-])c1	ZINC000773943010	1205849422	/nfs/dbraw/zinc/84/94/22/1205849422.db2.gz	LAEPHAZDGLMZAL-UTCJRWHESA-N	-1	0	394.365	0.920	20	5		GCBDRM
C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nnn[n-]1	ZINC000773998520	1205859424	/nfs/dbraw/zinc/85/94/24/1205859424.db2.gz	LWHLJANPFGDWQG-NSHDSACASA-N	-1	0	375.389	0.820	20	5		GCBDRM
COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1	ZINC000774185653	1205865663	/nfs/dbraw/zinc/86/56/63/1205865663.db2.gz	WBACDTZONSHSSO-UTCJRWHESA-N	-1	0	394.365	0.920	20	5		GCBDRM
COc1ccc(S(=O)(=O)NN=c2[nH]cccc2[N+](=O)[O-])cc1CC(=O)[O-]	ZINC000774619584	1205891643	/nfs/dbraw/zinc/89/16/43/1205891643.db2.gz	GLVCRRUFCPVGMC-UHFFFAOYSA-N	-1	0	382.354	0.931	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCNC(=O)c2c(F)cccc2F)n1	ZINC001186997313	1205953913	/nfs/dbraw/zinc/95/39/13/1205953913.db2.gz	PWIBTYJJKZSFQK-UHFFFAOYSA-N	-1	0	389.340	0.315	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1	ZINC000262806410	939073768	/nfs/dbraw/zinc/07/37/68/939073768.db2.gz	ORSQLSNLMFHRTM-WFASDCNBSA-N	-1	0	379.369	0.711	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CCCOC1	ZINC000262861452	939080910	/nfs/dbraw/zinc/08/09/10/939080910.db2.gz	UEQZHJZNUBFCPQ-HZMBPMFUSA-N	-1	0	375.341	0.785	20	5		GCBDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000825996335	939217828	/nfs/dbraw/zinc/21/78/28/939217828.db2.gz	ZOBAHXBATZFFHF-XPTSAGLGSA-N	-1	0	398.331	0.916	20	5		GCBDRM
C[C@@H](NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1	ZINC000567211003	939360354	/nfs/dbraw/zinc/36/03/54/939360354.db2.gz	BRHLRKCCAZYZQU-SNVBAGLBSA-N	-1	0	385.398	0.987	20	5		GCBDRM
O=C([O-])[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1	ZINC000595996695	939802633	/nfs/dbraw/zinc/80/26/33/939802633.db2.gz	ZOKSZMUPHDGWGO-AWEZNQCLSA-N	-1	0	399.425	0.880	20	5		GCBDRM
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC1(C(=O)[O-])CCOCC1	ZINC000596001012	939803076	/nfs/dbraw/zinc/80/30/76/939803076.db2.gz	ZJYBJQYHYPALRU-UHFFFAOYSA-N	-1	0	380.357	0.144	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001600304814	970795353	/nfs/dbraw/zinc/79/53/53/970795353.db2.gz	NLLDCWPUQLQDJK-ZDUSSCGKSA-N	-1	0	385.398	0.415	20	5		GCBDRM
CCc1nn(CCn2cc([N+](=O)[O-])ccc2=O)c(=O)c(-c2nnn[n-]2)c1CC	ZINC000825762523	947319031	/nfs/dbraw/zinc/31/90/31/947319031.db2.gz	DHXDISQHSXWHNB-UHFFFAOYSA-N	-1	0	386.372	0.318	20	5		GCBDRM
C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-]	ZINC000263118583	950274734	/nfs/dbraw/zinc/27/47/34/950274734.db2.gz	WXJWMUGEFYLKGG-RISCZKNCSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263131606	950283907	/nfs/dbraw/zinc/28/39/07/950283907.db2.gz	CYAZNPBAZOFQAS-NEPJUHHUSA-N	-1	0	399.425	0.832	20	5		GCBDRM
CC(C)(C)OC(=O)N1CCN(CCn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)CC1	ZINC001573853165	950317454	/nfs/dbraw/zinc/31/74/54/950317454.db2.gz	MMAGQDCXSAPBSS-UHFFFAOYSA-N	-1	0	393.408	0.524	20	5		GCBDRM
O=C([O-])CN1CCC[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1=O	ZINC001595085450	951722152	/nfs/dbraw/zinc/72/21/52/951722152.db2.gz	AFINCZUDIJUGHB-AWEZNQCLSA-N	-1	0	377.353	0.508	20	5		GCBDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422579490	953424353	/nfs/dbraw/zinc/42/43/53/953424353.db2.gz	HQQJKCSSXGICTK-NWDGAFQWSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-]	ZINC000424255139	953437705	/nfs/dbraw/zinc/43/77/05/953437705.db2.gz	LOUDEKNWYYLJOS-ABAIWWIYSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000566235467	953623769	/nfs/dbraw/zinc/62/37/69/953623769.db2.gz	UBYXKLAAGKCQJA-FZMZJTMJSA-N	-1	0	399.425	0.785	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000591562485	953742582	/nfs/dbraw/zinc/74/25/82/953742582.db2.gz	CJVZFWBHPOFBEY-CYBMUJFWSA-N	-1	0	385.398	0.497	20	5		GCBDRM
Nc1c(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cccc1[N+](=O)[O-]	ZINC000593920880	953756852	/nfs/dbraw/zinc/75/68/52/953756852.db2.gz	HJAHTMUWNYNSGG-JTQLQIEISA-N	-1	0	376.369	0.715	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C	ZINC000598583881	953782984	/nfs/dbraw/zinc/78/29/84/953782984.db2.gz	GGATUMCYIUINAL-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H](C(=O)[O-])C1CC1	ZINC001593751153	954413088	/nfs/dbraw/zinc/41/30/88/954413088.db2.gz	POCLKOKJWYYVLX-ZDUSSCGKSA-N	-1	0	385.398	0.442	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC001594962727	955026062	/nfs/dbraw/zinc/02/60/62/955026062.db2.gz	VNJZURNUNAZZRE-CQSZACIVSA-N	-1	0	397.409	0.519	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC001594962725	955026335	/nfs/dbraw/zinc/02/63/35/955026335.db2.gz	VNJZURNUNAZZRE-AWEZNQCLSA-N	-1	0	397.409	0.519	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CCCC(=O)[O-])CC1	ZINC000743352171	955261523	/nfs/dbraw/zinc/26/15/23/955261523.db2.gz	SXPALPQCZKTICU-UHFFFAOYSA-N	-1	0	399.425	0.991	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1	ZINC001593961591	956488318	/nfs/dbraw/zinc/48/83/18/956488318.db2.gz	JGEASTRDIKYBFB-KRWDZBQOSA-N	-1	0	395.368	0.283	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CCO1	ZINC001593982482	956721487	/nfs/dbraw/zinc/72/14/87/956721487.db2.gz	BAYMREYEVVDDHR-HNNXBMFYSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CCO1	ZINC001593982922	956725688	/nfs/dbraw/zinc/72/56/88/956725688.db2.gz	DOAKCXPLRCDRDM-AWEZNQCLSA-N	-1	0	392.361	0.533	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCO1	ZINC001593984152	956744420	/nfs/dbraw/zinc/74/44/20/956744420.db2.gz	NNGWIBRPIYPBDP-OAHLLOKOSA-N	-1	0	388.398	0.702	20	5		GCBDRM
Cc1cc(Cl)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001574330414	960874434	/nfs/dbraw/zinc/87/44/34/960874434.db2.gz	SRBYNBDGXSSDFU-LLVKDONJSA-N	-1	0	376.774	0.880	20	5		GCBDRM
COc1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc([N+](=O)[O-])c1C	ZINC001329288857	961260959	/nfs/dbraw/zinc/26/09/59/961260959.db2.gz	SVAYCCNXHULGLY-SFHVURJKSA-N	-1	0	393.396	0.913	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC001573956358	961671587	/nfs/dbraw/zinc/67/15/87/961671587.db2.gz	DKNXFWNWUNYNCG-CYBMUJFWSA-N	-1	0	399.425	0.901	20	5		GCBDRM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262887617	961961908	/nfs/dbraw/zinc/96/19/08/961961908.db2.gz	MYOGBICPPHGNAQ-NWDGAFQWSA-N	-1	0	399.425	0.927	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC001574649274	962414795	/nfs/dbraw/zinc/41/47/95/962414795.db2.gz	YOMFIKKQZRGUTO-BLLLJJGKSA-N	-1	0	391.380	0.552	20	5		GCBDRM
CNc1ccc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cc1[N+](=O)[O-]	ZINC001348483608	962444673	/nfs/dbraw/zinc/44/46/73/962444673.db2.gz	ZEDPGMFLBBPHKY-QGZVFWFLSA-N	-1	0	378.385	0.638	20	5		GCBDRM
COc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1F	ZINC001574177011	962790214	/nfs/dbraw/zinc/79/02/14/962790214.db2.gz	DAOIFCSAYJDVJX-JTQLQIEISA-N	-1	0	376.318	0.066	20	5		GCBDRM
C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[C@H]1C(=O)[O-]	ZINC000262834744	967828497	/nfs/dbraw/zinc/82/84/97/967828497.db2.gz	CNFQKVODTQUNEH-ZYHUDNBSSA-N	-1	0	377.353	0.889	20	5		GCBDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1	ZINC000263358379	967878789	/nfs/dbraw/zinc/87/87/89/967878789.db2.gz	RKSCVQCHAOHHBR-WDEREUQCSA-N	-1	0	377.353	0.889	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC000566561015	968429293	/nfs/dbraw/zinc/42/92/93/968429293.db2.gz	BSEQVHUMCWKWMZ-BXUZGUMPSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC000566561016	968429670	/nfs/dbraw/zinc/42/96/70/968429670.db2.gz	BSEQVHUMCWKWMZ-FZMZJTMJSA-N	-1	0	399.425	0.832	20	5		GCBDRM
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000593921632	968493344	/nfs/dbraw/zinc/49/33/44/968493344.db2.gz	MQYSQGXVLKIQLT-JTQLQIEISA-N	-1	0	376.369	0.715	20	5		GCBDRM
CN(CC(=O)N1CCC[C@H](CC(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000610892049	968508849	/nfs/dbraw/zinc/50/88/49/968508849.db2.gz	NGKVOCOFMLITBO-GFCCVEGCSA-N	-1	0	399.425	0.929	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000766994986	969160097	/nfs/dbraw/zinc/16/00/97/969160097.db2.gz	LRQGISIJOQPVTE-UHFFFAOYSA-N	-1	0	387.776	0.928	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605093947	972752658	/nfs/dbraw/zinc/75/26/58/972752658.db2.gz	ZBUGCEPQCMKDSM-NSHDSACASA-N	-1	0	385.398	0.647	20	5		GCBDRM
C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-]	ZINC001603442533	973234295	/nfs/dbraw/zinc/23/42/95/973234295.db2.gz	FQYKFIPCTUZBDB-RISCZKNCSA-N	-1	0	378.385	0.963	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCO1	ZINC001604556776	973588294	/nfs/dbraw/zinc/58/82/94/973588294.db2.gz	GTSAWTVPSRVRGO-KRWDZBQOSA-N	-1	0	390.352	0.927	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1=O	ZINC001606255988	973592117	/nfs/dbraw/zinc/59/21/17/973592117.db2.gz	UBPCACLPUMZOAZ-LBPRGKRZSA-N	-1	0	393.352	0.562	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001604762757	973978454	/nfs/dbraw/zinc/97/84/54/973978454.db2.gz	ONCWSCNWZOJJIM-PWSUYJOCSA-N	-1	0	379.369	0.902	20	5		GCBDRM
O=C([O-])CCCNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000420594013	973992805	/nfs/dbraw/zinc/99/28/05/973992805.db2.gz	OSUZEZKWEMKLJL-UHFFFAOYSA-N	-1	0	379.369	0.946	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2ncccn2)CC1	ZINC000566777511	974621937	/nfs/dbraw/zinc/62/19/37/974621937.db2.gz	FYNHGDOLIHDIJI-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1	ZINC000574036643	974776208	/nfs/dbraw/zinc/77/62/08/974776208.db2.gz	YEQNEPYOYKMHAK-BONVTDFDSA-N	-1	0	386.382	0.862	20	5		GCBDRM
COCCCS(=O)(=O)N1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000580079870	974887720	/nfs/dbraw/zinc/88/77/20/974887720.db2.gz	HGXGOTNZNOCDQK-UHFFFAOYSA-N	-1	0	387.414	0.781	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000591652783	974971557	/nfs/dbraw/zinc/97/15/57/974971557.db2.gz	RFBLWCNYOPTPHN-INIZCTEOSA-N	-1	0	375.341	0.881	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1	ZINC000591567809	974971976	/nfs/dbraw/zinc/97/19/76/974971976.db2.gz	OLLAWRQEHFIILS-CQSZACIVSA-N	-1	0	377.353	0.398	20	5		GCBDRM
O=C([O-])C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1	ZINC000595249790	974993746	/nfs/dbraw/zinc/99/37/46/974993746.db2.gz	JXEXXCBSYPZBCG-NSHDSACASA-N	-1	0	377.353	0.937	20	5		GCBDRM
COc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000599941785	975002912	/nfs/dbraw/zinc/00/29/12/975002912.db2.gz	YOKROYNTSXUHIA-CMPLNLGQSA-N	-1	0	379.369	0.789	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000600657660	975003946	/nfs/dbraw/zinc/00/39/46/975003946.db2.gz	SAESQMIYUXXMJK-UHFFFAOYSA-N	-1	0	387.414	0.773	20	5		GCBDRM
CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1	ZINC000600872027	975009476	/nfs/dbraw/zinc/00/94/76/975009476.db2.gz	CVGUHWOKMAXXAH-UHFFFAOYSA-N	-1	0	399.425	0.619	20	5		GCBDRM
CC(C)c1[nH]nc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1[N+](=O)[O-]	ZINC001591921494	976395556	/nfs/dbraw/zinc/39/55/56/976395556.db2.gz	YOIPCFCMHPOHQT-INIZCTEOSA-N	-1	0	381.389	0.443	20	5		GCBDRM
O=C([O-])C1(O)CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1	ZINC000738528255	978552364	/nfs/dbraw/zinc/55/23/64/978552364.db2.gz	MCJZQKVYCRIOOD-UHFFFAOYSA-N	-1	0	399.425	0.795	20	5		GCBDRM
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CN1CCOCC1	ZINC001592723028	979229185	/nfs/dbraw/zinc/22/91/85/979229185.db2.gz	UABBDVZKWGWIOC-LLVKDONJSA-N	-1	0	387.414	0.540	20	5		GCBDRM
CC[C@@H](C)[C@@H](NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)[O-]	ZINC001594894674	982325379	/nfs/dbraw/zinc/32/53/79/982325379.db2.gz	XCXWNALVJZXXGR-MLGOLLRUSA-N	-1	0	379.417	0.727	20	5		GCBDRM
CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)C1	ZINC001596573522	984469490	/nfs/dbraw/zinc/46/94/90/984469490.db2.gz	IBQKATKKHOBTAN-JTQLQIEISA-N	-1	0	381.341	0.256	20	5		GCBDRM
C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-]	ZINC001599916576	985065971	/nfs/dbraw/zinc/06/59/71/985065971.db2.gz	ASGMHCUXGFUOSD-SMDDNHRTSA-N	-1	0	399.425	0.832	20	5		GCBDRM
Cc1c(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-]	ZINC001599976981	986107721	/nfs/dbraw/zinc/10/77/21/986107721.db2.gz	NAFQHRKTXJTYID-CABZTGNLSA-N	-1	0	376.325	0.123	20	5		GCBDRM
CCOc1cc(N2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC001597042465	986493942	/nfs/dbraw/zinc/49/39/42/986493942.db2.gz	SAPJTLGQTZXLIL-GFCCVEGCSA-N	-1	0	380.401	0.705	20	5		GCBDRM
C[C@H]1OCC[C@]12CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CCO2	ZINC001594644031	986828843	/nfs/dbraw/zinc/82/88/43/986828843.db2.gz	ZWAYJLQIVGJGRC-BMIGLBTASA-N	-1	0	386.382	0.862	20	5		GCBDRM
C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC001594656001	986900717	/nfs/dbraw/zinc/90/07/17/986900717.db2.gz	FRJFUCROBULIFA-WFBYXXMGSA-N	-1	0	397.409	0.509	20	5		GCBDRM
C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC001594655999	986901003	/nfs/dbraw/zinc/90/10/03/986901003.db2.gz	FRJFUCROBULIFA-DUFXMDAXSA-N	-1	0	397.409	0.509	20	5		GCBDRM
CC(C)(CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC001590797842	990617440	/nfs/dbraw/zinc/61/74/40/990617440.db2.gz	HEXXEDLGFLUPTM-UHFFFAOYSA-N	-1	0	399.425	0.793	20	5		GCBDRM
CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001598259664	991083847	/nfs/dbraw/zinc/08/38/47/991083847.db2.gz	NMUSPGPXKKTZJI-CYBMUJFWSA-N	-1	0	385.398	0.789	20	5		GCBDRM
CN(C)c1cc(F)c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1[N+](=O)[O-]	ZINC001598305815	991262919	/nfs/dbraw/zinc/26/29/19/991262919.db2.gz	OLHJPMPJURXFAY-UHFFFAOYSA-N	-1	0	378.320	0.787	20	5		GCBDRM
CN(CC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598396920	991665069	/nfs/dbraw/zinc/66/50/69/991665069.db2.gz	YGZJOBFRLGAZKF-RQJABVFESA-N	-1	0	397.409	0.441	20	5		GCBDRM
C[S@@](=O)C1(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCC1	ZINC001599776524	992309576	/nfs/dbraw/zinc/30/95/76/992309576.db2.gz	YCXXUEDZUNHLRB-HSZRJFAPSA-N	-1	0	376.412	0.873	20	5		GCBDRM
CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001598556024	993058138	/nfs/dbraw/zinc/05/81/38/993058138.db2.gz	ILYWJUBJTGKESB-GOSISDBHSA-N	-1	0	393.396	0.639	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1=O	ZINC001598563662	993116941	/nfs/dbraw/zinc/11/69/41/993116941.db2.gz	VBZZGIRKRIAIJQ-SNVBAGLBSA-N	-1	0	386.158	0.725	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1=O	ZINC001598565102	993133949	/nfs/dbraw/zinc/13/39/49/993133949.db2.gz	PQPMYZSOQMICGI-SNVBAGLBSA-N	-1	0	375.259	0.981	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593169658	994021129	/nfs/dbraw/zinc/02/11/29/994021129.db2.gz	AXYFGBMZPJORBC-APPDUMDISA-N	-1	0	379.369	0.793	20	5		GCBDRM
COC(=O)[C@H](CCC(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC001598700123	995208505	/nfs/dbraw/zinc/20/85/05/995208505.db2.gz	SXBKGMAJRCMIPU-AWEZNQCLSA-N	-1	0	379.369	0.759	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC001598748893	995625298	/nfs/dbraw/zinc/62/52/98/995625298.db2.gz	CXMPDQWPFSURLM-ZLDLUXBVSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC001598752428	995672662	/nfs/dbraw/zinc/67/26/62/995672662.db2.gz	RMQAGBSKDNCXDZ-YGRLFVJLSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC001598757070	995732625	/nfs/dbraw/zinc/73/26/25/995732625.db2.gz	QCVGHLOSOAHKNU-WPRPVWTQSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC001598757996	995743495	/nfs/dbraw/zinc/74/34/95/995743495.db2.gz	RMRLWPMZUBKFNQ-CMPLNLGQSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC001598765200	995822822	/nfs/dbraw/zinc/82/28/22/995822822.db2.gz	HXFCSPJROWMFBD-RISCZKNCSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC001598765299	995824251	/nfs/dbraw/zinc/82/42/51/995824251.db2.gz	BADNOVSMPPDJMZ-IUODEOHRSA-N	-1	0	391.380	0.822	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC001598778636	995957858	/nfs/dbraw/zinc/95/78/58/995957858.db2.gz	OVHULGDSCVWMPR-WCQYABFASA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC001598780952	995983833	/nfs/dbraw/zinc/98/38/33/995983833.db2.gz	WCEGLNLAXUBQKC-GZMMTYOYSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC001598781280	995986993	/nfs/dbraw/zinc/98/69/93/995986993.db2.gz	LKPLWDLUANRAJV-PWSUYJOCSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC001598783803	996011271	/nfs/dbraw/zinc/01/12/71/996011271.db2.gz	GWIIKRWFGMVAIT-JQWIXIFHSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC001598784831	996020131	/nfs/dbraw/zinc/02/01/31/996020131.db2.gz	LUPLRSRLQPTBPV-PWSUYJOCSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC001598785056	996021883	/nfs/dbraw/zinc/02/18/83/996021883.db2.gz	MMZRMEODPOZKLY-AAEUAGOBSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC001598822588	996346348	/nfs/dbraw/zinc/34/63/48/996346348.db2.gz	RFYZIPVESKRDKW-NXEZZACHSA-N	-1	0	385.760	0.992	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598822969	996350031	/nfs/dbraw/zinc/35/00/31/996350031.db2.gz	APWALRHENTULCZ-HTQZYQBOSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C(=O)[O-]	ZINC001598825528	996378073	/nfs/dbraw/zinc/37/80/73/996378073.db2.gz	KVWSQEYEMFXEET-GHMZBOCLSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598827036	996393994	/nfs/dbraw/zinc/39/39/94/996393994.db2.gz	OZCWOQPUYPCASG-MNOVXSKESA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598827037	996393997	/nfs/dbraw/zinc/39/39/97/996393997.db2.gz	OZCWOQPUYPCASG-QWRGUYRKSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N(CC(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-]	ZINC001599482872	996797593	/nfs/dbraw/zinc/79/75/93/996797593.db2.gz	KETOVFLTMORASU-UHFFFAOYSA-N	-1	0	395.368	0.425	20	5		GCBDRM
COCc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1	ZINC001599293067	997093006	/nfs/dbraw/zinc/09/30/06/997093006.db2.gz	BZOBMAYONZQJCW-UHFFFAOYSA-N	-1	0	375.337	0.918	20	5		GCBDRM
COc1ccc(CSCC(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001599575837	998441801	/nfs/dbraw/zinc/44/18/01/998441801.db2.gz	MJQGPIQXBIGVGP-LBPRGKRZSA-N	-1	0	397.409	0.590	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC001599065426	999295628	/nfs/dbraw/zinc/29/56/28/999295628.db2.gz	DXUPCNGWBDSPPU-QFYYESIMSA-N	-1	0	397.409	0.963	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1	ZINC001599069256	999320250	/nfs/dbraw/zinc/32/02/50/999320250.db2.gz	SJEICXJZBDJCRK-QGZVFWFLSA-N	-1	0	379.369	0.298	20	5		GCBDRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccnn1[C@@H]1CCS(=O)(=O)C1	ZINC000437323838	530123497	/nfs/dbraw/zinc/12/34/97/530123497.db2.gz	NOQHLULUXMZRLY-SNVBAGLBSA-N	-1	0	386.411	0.952	20	5		GCBDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1	ZINC000577941378	530123567	/nfs/dbraw/zinc/12/35/67/530123567.db2.gz	ABPPRFMKHNWFGO-NSHDSACASA-N	-1	0	376.343	0.102	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)(F)F	ZINC000286560389	530188046	/nfs/dbraw/zinc/18/80/46/530188046.db2.gz	VDUXYIZETORUHB-JTQLQIEISA-N	-1	0	385.320	0.853	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCNc2ncnc3sccc32)n1	ZINC000599215802	530160768	/nfs/dbraw/zinc/16/07/68/530160768.db2.gz	JDKKJNVKWWOOSZ-UHFFFAOYSA-N	-1	0	383.415	0.723	20	5		GCBDRM
COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1	ZINC000599332426	530161648	/nfs/dbraw/zinc/16/16/48/530161648.db2.gz	RXAIOOQQUKFIDG-LURJTMIESA-N	-1	0	375.388	0.611	20	5		GCBDRM
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000578897570	530170763	/nfs/dbraw/zinc/17/07/63/530170763.db2.gz	BIYCJUQMTMQRRJ-QMMMGPOBSA-N	-1	0	380.400	0.347	20	5		GCBDRM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1=O	ZINC000561554110	530222476	/nfs/dbraw/zinc/22/24/76/530222476.db2.gz	DQMBPPXYXFJQRS-SSDOTTSWSA-N	-1	0	382.181	0.937	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)c1	ZINC000287209521	530226471	/nfs/dbraw/zinc/22/64/71/530226471.db2.gz	MIGYOULRMIXAIK-VIFPVBQESA-N	-1	0	392.411	0.396	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000262412946	530245347	/nfs/dbraw/zinc/24/53/47/530245347.db2.gz	LTFVUFIARTYUEH-MRVPVSSYSA-N	-1	0	393.805	0.848	20	5		GCBDRM
CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000285146441	530218655	/nfs/dbraw/zinc/21/86/55/530218655.db2.gz	KNKTZJZCPXDAID-SNVBAGLBSA-N	-1	0	380.829	0.911	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCS(=O)(=O)CC1	ZINC000573320817	530307468	/nfs/dbraw/zinc/30/74/68/530307468.db2.gz	MIKFPSPLSKGOCO-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
O=C([O-])CCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000614375944	530309652	/nfs/dbraw/zinc/30/96/52/530309652.db2.gz	KTIRHWXOGTWGSX-UHFFFAOYSA-N	-1	0	397.203	0.815	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000584267919	530360155	/nfs/dbraw/zinc/36/01/55/530360155.db2.gz	DXBYUEHEDQDTJT-BSNNYGBQSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000564923631	530351321	/nfs/dbraw/zinc/35/13/21/530351321.db2.gz	LTWQICQMXPRVKD-CYBMUJFWSA-N	-1	0	392.411	0.457	20	5		GCBDRM
C[S@@](=O)C1(C(=O)[O-])CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000565306808	530351598	/nfs/dbraw/zinc/35/15/98/530351598.db2.gz	DAUDCCHRKHBBJQ-XMMPIXPASA-N	-1	0	390.439	0.800	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000565061308	530351734	/nfs/dbraw/zinc/35/17/34/530351734.db2.gz	XWTWVLGAQWLMDM-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
Cn1ncc(Cl)c1S(=O)(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000565341788	530352298	/nfs/dbraw/zinc/35/22/98/530352298.db2.gz	NEDCBKIEYJXHLA-LLVKDONJSA-N	-1	0	388.789	0.956	20	5		GCBDRM
CS(=O)(=O)CCCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566316930	530374216	/nfs/dbraw/zinc/37/42/16/530374216.db2.gz	TUCIVQSRDIXREF-UHFFFAOYSA-N	-1	0	394.427	0.786	20	5		GCBDRM
CS(=O)(=O)CCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566317007	530374354	/nfs/dbraw/zinc/37/43/54/530374354.db2.gz	BZJDJYHWNLEIOC-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000584527272	530387534	/nfs/dbraw/zinc/38/75/34/530387534.db2.gz	BJTMFPJBCXGDNZ-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566919794	530412505	/nfs/dbraw/zinc/41/25/05/530412505.db2.gz	YLLDEYVPRICNAQ-BDAKNGLRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000569345709	530500091	/nfs/dbraw/zinc/50/00/91/530500091.db2.gz	WUIUORJBUUUOPF-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)Cc1ccccc1	ZINC000569671181	530500594	/nfs/dbraw/zinc/50/05/94/530500594.db2.gz	DJJPXALZPVJHJT-MFKMUULPSA-N	-1	0	386.407	0.991	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000569007790	530495387	/nfs/dbraw/zinc/49/53/87/530495387.db2.gz	IUUKANQHQHYOJR-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000569130183	530496131	/nfs/dbraw/zinc/49/61/31/530496131.db2.gz	STHOXEBKNRUHEH-JTQLQIEISA-N	-1	0	392.411	0.409	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(F)(F)F	ZINC000436844724	530524164	/nfs/dbraw/zinc/52/41/64/530524164.db2.gz	AEECQZRYVSWISS-VIFPVBQESA-N	-1	0	385.320	0.853	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000573903144	530529802	/nfs/dbraw/zinc/52/98/02/530529802.db2.gz	JSGZKYGBYQEJTN-JTQLQIEISA-N	-1	0	392.411	0.866	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@H]1C(N)=O	ZINC000544936833	530590525	/nfs/dbraw/zinc/59/05/25/530590525.db2.gz	LHAPTJMIXNSFMA-JTQLQIEISA-N	-1	0	389.411	0.193	20	5		GCBDRM
CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)N1CCOCC1	ZINC000267666598	530592772	/nfs/dbraw/zinc/59/27/72/530592772.db2.gz	YDVFQNQGCLOOTA-NSHDSACASA-N	-1	0	375.378	0.650	20	5		GCBDRM
CCS(=O)(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000414388961	530598219	/nfs/dbraw/zinc/59/82/19/530598219.db2.gz	DPKXLFIKUVYYTC-UHFFFAOYSA-N	-1	0	394.427	0.705	20	5		GCBDRM
CC(C)(CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000414401456	530600364	/nfs/dbraw/zinc/60/03/64/530600364.db2.gz	ZEJKONPCJIYONF-UHFFFAOYSA-N	-1	0	394.427	0.785	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	ZINC000294844637	530607345	/nfs/dbraw/zinc/60/73/45/530607345.db2.gz	IEWRQUCOIXDEHD-UHFFFAOYSA-N	-1	0	383.304	0.809	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000576926644	530613678	/nfs/dbraw/zinc/61/36/78/530613678.db2.gz	TUEFPKJLOSOUJU-SNVBAGLBSA-N	-1	0	376.368	0.530	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000268217841	530681765	/nfs/dbraw/zinc/68/17/65/530681765.db2.gz	IUZOEGWAPZBDDN-GXSJLCMTSA-N	-1	0	395.434	0.730	20	5		GCBDRM
Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cn1	ZINC000545250289	530665216	/nfs/dbraw/zinc/66/52/16/530665216.db2.gz	YRVSPFNIRUBZQX-UHFFFAOYSA-N	-1	0	387.399	0.169	20	5		GCBDRM
O=C1NCCCN1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000276757127	530698543	/nfs/dbraw/zinc/69/85/43/530698543.db2.gz	UJLMIHNEURVTRJ-UHFFFAOYSA-N	-1	0	379.192	0.966	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000591243744	530709306	/nfs/dbraw/zinc/70/93/06/530709306.db2.gz	DAOKTNUPYWKCTA-LLVKDONJSA-N	-1	0	392.411	0.084	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000591563406	530718488	/nfs/dbraw/zinc/71/84/88/530718488.db2.gz	GAZKFEKBQGYSLY-LLVKDONJSA-N	-1	0	391.789	0.370	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])S(C)(=O)=O	ZINC000592136497	530757233	/nfs/dbraw/zinc/75/72/33/530757233.db2.gz	BNZGCOIGAQEMEX-UHFFFAOYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000592140590	530757347	/nfs/dbraw/zinc/75/73/47/530757347.db2.gz	GDTUKQBFGXNPCI-IUCAKERBSA-N	-1	0	394.427	0.735	20	5		GCBDRM
C[C@@]1(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCS(=O)(=O)C1	ZINC000592133018	530757500	/nfs/dbraw/zinc/75/75/00/530757500.db2.gz	KJOHCIKLUOZUFG-GFCCVEGCSA-N	-1	0	378.384	0.149	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](CC2(OC)CCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000593278954	530798006	/nfs/dbraw/zinc/79/80/06/530798006.db2.gz	XWTVFNFHYMVBDY-VIFPVBQESA-N	-1	0	376.391	0.502	20	5		GCBDRM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)ccc1[N+](=O)[O-]	ZINC000349526811	530806202	/nfs/dbraw/zinc/80/62/02/530806202.db2.gz	QCLYLSNLTHWZDE-UHFFFAOYSA-N	-1	0	394.431	0.050	20	5		GCBDRM
CS(=O)(=O)NCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462302289	530812151	/nfs/dbraw/zinc/81/21/51/530812151.db2.gz	ZTSUIWQRZIOKFN-UHFFFAOYSA-N	-1	0	392.242	0.729	20	5		GCBDRM
Cn1cnc([N+](=O)[O-])c1NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000445661152	530819140	/nfs/dbraw/zinc/81/91/40/530819140.db2.gz	BEYWWRDLOIRFKD-UHFFFAOYSA-N	-1	0	386.356	0.601	20	5		GCBDRM
NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000274973866	530869981	/nfs/dbraw/zinc/86/99/81/530869981.db2.gz	CPMPQGDOPAPQON-GMSGAONNSA-N	-1	0	391.789	0.587	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000275116307	530899893	/nfs/dbraw/zinc/89/98/93/530899893.db2.gz	NNJWPFDMHHWHRI-SNVBAGLBSA-N	-1	0	392.411	0.166	20	5		GCBDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274905347	530905639	/nfs/dbraw/zinc/90/56/39/530905639.db2.gz	JDXGMZWTGKCTGF-SSDLBLMSSA-N	-1	0	383.176	0.470	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000274964521	530906116	/nfs/dbraw/zinc/90/61/16/530906116.db2.gz	VMHPASPJYKONIU-JTQLQIEISA-N	-1	0	392.411	0.866	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000275091427	530906864	/nfs/dbraw/zinc/90/68/64/530906864.db2.gz	KHHZFWDLWFYPSL-SECBINFHSA-N	-1	0	395.187	0.831	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000275332601	530907622	/nfs/dbraw/zinc/90/76/22/530907622.db2.gz	QOGVSKOUQHWFGW-LHLIQPBNSA-N	-1	0	395.187	0.566	20	5		GCBDRM
O=C([O-])CN(CCO)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000275252850	530908085	/nfs/dbraw/zinc/90/80/85/530908085.db2.gz	HZRGDXORWFGQKP-UHFFFAOYSA-N	-1	0	383.176	0.425	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594778644	530882185	/nfs/dbraw/zinc/88/21/85/530882185.db2.gz	REFZPFPTZRERRW-GHMZBOCLSA-N	-1	0	392.459	0.376	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1C	ZINC000548585824	530883770	/nfs/dbraw/zinc/88/37/70/530883770.db2.gz	MQBKCLCEZFFLPN-BSNNYGBQSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cc1c(Br)c(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ncc1[N+](=O)[O-]	ZINC000424470424	530889244	/nfs/dbraw/zinc/88/92/44/530889244.db2.gz	LOOKJVAZAVBUND-MRVPVSSYSA-N	-1	0	394.203	0.749	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424368162	530889295	/nfs/dbraw/zinc/88/92/95/530889295.db2.gz	PCKQREOVZHPCMZ-LBPRGKRZSA-N	-1	0	392.411	0.030	20	5		GCBDRM
O=C([O-])[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424473295	530889491	/nfs/dbraw/zinc/88/94/91/530889491.db2.gz	QKIOSOKCWBFMAA-QMMMGPOBSA-N	-1	0	380.176	0.440	20	5		GCBDRM
CCc1ncc(CN(CC(=O)[O-])S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1	ZINC000600654489	530931204	/nfs/dbraw/zinc/93/12/04/530931204.db2.gz	WVCVHFCJCHOAMJ-UHFFFAOYSA-N	-1	0	389.415	0.623	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000600664923	530931332	/nfs/dbraw/zinc/93/13/32/530931332.db2.gz	CCRXDMWNCQOUOR-NXEZZACHSA-N	-1	0	376.391	0.359	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000275270860	530932206	/nfs/dbraw/zinc/93/22/06/530932206.db2.gz	JWUIYIXLPFAAQA-APPZFPTMSA-N	-1	0	395.187	0.566	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(CCO)CC(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000277362645	530913240	/nfs/dbraw/zinc/91/32/40/530913240.db2.gz	YJEYBBFMTWMXJW-UHFFFAOYSA-N	-1	0	377.331	0.187	20	5		GCBDRM
CCOC(=O)CC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000277919827	530915220	/nfs/dbraw/zinc/91/52/20/530915220.db2.gz	FCTIXWZRENCYFY-VIFPVBQESA-N	-1	0	378.334	0.809	20	5		GCBDRM
CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000030370183	530935759	/nfs/dbraw/zinc/93/57/59/530935759.db2.gz	MSRVHRBAPGKUAF-UHFFFAOYSA-N	-1	0	385.423	0.981	20	5		GCBDRM
O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000505172334	530938794	/nfs/dbraw/zinc/93/87/94/530938794.db2.gz	BTCRKUIQRJQRQZ-SNVBAGLBSA-N	-1	0	386.407	0.927	20	5		GCBDRM
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1COC2(CCOCC2)O1	ZINC000272048230	530946627	/nfs/dbraw/zinc/94/66/27/530946627.db2.gz	MLLAAFDARYTRNI-SNVBAGLBSA-N	-1	0	376.362	0.934	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000576210915	530995162	/nfs/dbraw/zinc/99/51/62/530995162.db2.gz	GFXIUNIGEIUZQL-HQJQHLMTSA-N	-1	0	390.395	0.918	20	5		GCBDRM
O=C([O-])CSCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000262461489	530988219	/nfs/dbraw/zinc/98/82/19/530988219.db2.gz	YBDJTVAOAMWIAA-UHFFFAOYSA-N	-1	0	375.790	0.912	20	5		GCBDRM
COC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(=O)[O-]	ZINC000296813759	531016530	/nfs/dbraw/zinc/01/65/30/531016530.db2.gz	ACGLLPWHUBBORM-MRVPVSSYSA-N	-1	0	380.762	0.851	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1C	ZINC000547930636	531021003	/nfs/dbraw/zinc/02/10/03/531021003.db2.gz	YLPNUBLSEAYYQD-RULNZOCKSA-N	-1	0	376.412	0.418	20	5		GCBDRM
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000576515611	531045652	/nfs/dbraw/zinc/04/56/52/531045652.db2.gz	UJVVAVNYXHPNMU-MRVPVSSYSA-N	-1	0	380.400	0.347	20	5		GCBDRM
Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000737297948	598974561	/nfs/dbraw/zinc/97/45/61/598974561.db2.gz	GXWWXDRJQJLKJP-UHFFFAOYSA-N	-1	0	391.369	0.541	20	5		GCBDRM
NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1	ZINC000737759462	599040372	/nfs/dbraw/zinc/04/03/72/599040372.db2.gz	CHWOCIYAZLTHJZ-UHFFFAOYSA-N	-1	0	389.353	0.675	20	5		GCBDRM
O=C([O-])C1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000427309166	596927518	/nfs/dbraw/zinc/92/75/18/596927518.db2.gz	OPYOJSKRAZFYAD-UHFFFAOYSA-N	-1	0	385.398	0.586	20	5		GCBDRM
COCCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000610891077	597004430	/nfs/dbraw/zinc/00/44/30/597004430.db2.gz	SNCMVUVABCMHQN-SNVBAGLBSA-N	-1	0	385.398	0.821	20	5		GCBDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cc([N+](=O)[O-])ccc2Cl)c1=O	ZINC000736713143	599245218	/nfs/dbraw/zinc/24/52/18/599245218.db2.gz	FXVFVWVKPLGAGB-UHFFFAOYSA-N	-1	0	377.748	0.820	20	5		GCBDRM
O=C([O-])CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000414607980	597223116	/nfs/dbraw/zinc/22/31/16/597223116.db2.gz	ISZBFTNNRUFCDC-UHFFFAOYSA-N	-1	0	386.386	0.085	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000262179707	597514428	/nfs/dbraw/zinc/51/44/28/597514428.db2.gz	WKGGZOBRTNXSAO-OAHLLOKOSA-N	-1	0	390.396	0.953	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC000262243622	597686731	/nfs/dbraw/zinc/68/67/31/597686731.db2.gz	PBRRYUDTHHBQBJ-LLVKDONJSA-N	-1	0	389.368	0.832	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC000262243626	597686965	/nfs/dbraw/zinc/68/69/65/597686965.db2.gz	PBRRYUDTHHBQBJ-NSHDSACASA-N	-1	0	389.368	0.832	20	5		GCBDRM
COc1cc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000274990080	597699409	/nfs/dbraw/zinc/69/94/09/597699409.db2.gz	DXSRYEWBZQACSL-VIFPVBQESA-N	-1	0	389.386	0.203	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000262405340	597699463	/nfs/dbraw/zinc/69/94/63/597699463.db2.gz	KROONQSTESVZBA-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
COc1ccc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275211756	597700262	/nfs/dbraw/zinc/70/02/62/597700262.db2.gz	ZTRQUFGYDCSTGO-SECBINFHSA-N	-1	0	389.386	0.203	20	5		GCBDRM
O=C(Cc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000737964657	598752521	/nfs/dbraw/zinc/75/25/21/598752521.db2.gz	YCJUNQLXFVBLSK-UHFFFAOYSA-N	-1	0	394.394	0.884	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2nn[nH]n2)cc1	ZINC000738139731	598752643	/nfs/dbraw/zinc/75/26/43/598752643.db2.gz	OIWYQCIDWDTMGV-UHFFFAOYSA-N	-1	0	380.367	0.955	20	5		GCBDRM
COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c[n-]1	ZINC000821668713	599340071	/nfs/dbraw/zinc/34/00/71/599340071.db2.gz	FPPWMLZSVNJAAZ-UHFFFAOYSA-N	-1	0	394.325	0.657	20	5		GCBDRM
O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000739636208	599723471	/nfs/dbraw/zinc/72/34/71/599723471.db2.gz	CVJNTYFONIJBMH-SECBINFHSA-N	-1	0	377.762	0.212	20	5		GCBDRM
CN(CCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000737425785	599740073	/nfs/dbraw/zinc/74/00/73/599740073.db2.gz	HLYDVEROJXNELG-UHFFFAOYSA-N	-1	0	388.402	0.379	20	5		GCBDRM
O=C([O-])c1nc2n(n1)CCCN2C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000739415583	599767658	/nfs/dbraw/zinc/76/76/58/599767658.db2.gz	MDJMQGHWPJSXAO-UHFFFAOYSA-N	-1	0	388.340	0.441	20	5		GCBDRM
CC(C)(C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1	ZINC000485837999	599810433	/nfs/dbraw/zinc/81/04/33/599810433.db2.gz	DBJJWUUGTGHIGI-UHFFFAOYSA-N	-1	0	389.368	0.908	20	5		GCBDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000736371362	599821248	/nfs/dbraw/zinc/82/12/48/599821248.db2.gz	VARWQYNUIRDVOE-GFCCVEGCSA-N	-1	0	388.402	0.282	20	5		GCBDRM
C[C@H](CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1)C(=O)[O-]	ZINC000736562018	599923486	/nfs/dbraw/zinc/92/34/86/599923486.db2.gz	LCFJAWYULMOOJJ-SECBINFHSA-N	-1	0	375.337	0.903	20	5		GCBDRM
COc1cc2c(nn1)CCN(c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000737906922	599967565	/nfs/dbraw/zinc/96/75/65/599967565.db2.gz	JFTUNPAHFFNEFF-UHFFFAOYSA-N	-1	0	387.352	0.771	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCn3c(nnc3C3CC3)C2)c([N+](=O)[O-])c1	ZINC000739812011	599970128	/nfs/dbraw/zinc/97/01/28/599970128.db2.gz	FWXRBFIEKRYIGD-UHFFFAOYSA-N	-1	0	386.368	0.898	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000738551959	599984534	/nfs/dbraw/zinc/98/45/34/599984534.db2.gz	LPMOZNNAAYIZLM-SECBINFHSA-N	-1	0	395.187	0.831	20	5		GCBDRM
NC(=O)CC[C@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000739157690	600023687	/nfs/dbraw/zinc/02/36/87/600023687.db2.gz	QQOHLDZNFXUDNA-LLVKDONJSA-N	-1	0	378.385	0.891	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NCCC(=O)Nc2cccnc2)c([N+](=O)[O-])c1	ZINC000739248197	600028900	/nfs/dbraw/zinc/02/89/00/600028900.db2.gz	BWZQQOLBGWFFKR-UHFFFAOYSA-N	-1	0	394.365	0.995	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NCCS(=O)(=O)NCC2CCC2)cc([N+](=O)[O-])c1	ZINC000268884249	600073120	/nfs/dbraw/zinc/07/31/20/600073120.db2.gz	FQXNVXIIUANTAB-UHFFFAOYSA-N	-1	0	385.398	0.742	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000739792551	600147568	/nfs/dbraw/zinc/14/75/68/600147568.db2.gz	VRYBSMVCYDUYOQ-UHFFFAOYSA-N	-1	0	391.384	0.864	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000738653289	600161680	/nfs/dbraw/zinc/16/16/80/600161680.db2.gz	TXYSOBYNVWNLAY-UHFFFAOYSA-N	-1	0	387.414	0.311	20	5		GCBDRM
O=C(COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000739319154	600172703	/nfs/dbraw/zinc/17/27/03/600172703.db2.gz	HBWBHNVCUVGJIT-DTWKUNHWSA-N	-1	0	380.309	0.959	20	5		GCBDRM
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2noc(CCC(=O)[O-])n2)C1=O	ZINC000736740785	600185973	/nfs/dbraw/zinc/18/59/73/600185973.db2.gz	GKXDJRYLJQRVMB-MRXNPFEDSA-N	-1	0	389.324	0.962	20	5		GCBDRM
Cc1c(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])nnn1-c1cccc([N+](=O)[O-])c1	ZINC000738292530	600193718	/nfs/dbraw/zinc/19/37/18/600193718.db2.gz	UEIRIMIXOANNSU-SECBINFHSA-N	-1	0	377.313	0.230	20	5		GCBDRM
O=C([O-])NCCCC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739965616	600196110	/nfs/dbraw/zinc/19/61/10/600196110.db2.gz	BPFGKVGNOAYVLQ-UHFFFAOYSA-N	-1	0	394.384	0.834	20	5		GCBDRM
O=C([O-])CCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000739735470	600214644	/nfs/dbraw/zinc/21/46/44/600214644.db2.gz	XBTRFIOFJDVHHT-VIFPVBQESA-N	-1	0	399.381	0.395	20	5		GCBDRM
O=C([O-])CCNC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000739735468	600214687	/nfs/dbraw/zinc/21/46/87/600214687.db2.gz	XBTRFIOFJDVHHT-SECBINFHSA-N	-1	0	399.381	0.395	20	5		GCBDRM
CNc1cc2c(nn1)CCN(c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000737563082	600312911	/nfs/dbraw/zinc/31/29/11/600312911.db2.gz	OVRRORZMVGYWTA-UHFFFAOYSA-N	-1	0	386.368	0.804	20	5		GCBDRM
CC[C@H](C)[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000261841032	600398589	/nfs/dbraw/zinc/39/85/89/600398589.db2.gz	WGXUSFZTPONPTI-HZMBPMFUSA-N	-1	0	387.414	0.831	20	5		GCBDRM
CN(CC(=O)NC(C)(C)CCC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262931274	600399802	/nfs/dbraw/zinc/39/98/02/600399802.db2.gz	XOHKBRSMMCFBLT-UHFFFAOYSA-N	-1	0	387.414	0.975	20	5		GCBDRM
CNC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1C	ZINC000737544419	600464556	/nfs/dbraw/zinc/46/45/56/600464556.db2.gz	HUALRECIPBCENY-UHFFFAOYSA-N	-1	0	383.338	0.759	20	5		GCBDRM
Cn1c(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)nc2n(C)c1=O	ZINC000739005071	600543824	/nfs/dbraw/zinc/54/38/24/600543824.db2.gz	PXFXFJRNMPPKKI-UHFFFAOYSA-N	-1	0	399.319	0.491	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c[nH]1	ZINC000833302908	600706703	/nfs/dbraw/zinc/70/67/03/600706703.db2.gz	TUBZCPUTUNKCPR-UHFFFAOYSA-N	-1	0	381.370	0.527	20	5		GCBDRM
Cn1ccnc1N1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000833059346	600804001	/nfs/dbraw/zinc/80/40/01/600804001.db2.gz	XDYVXIKVYKTJSO-UHFFFAOYSA-N	-1	0	388.384	0.469	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704532	600820938	/nfs/dbraw/zinc/82/09/38/600820938.db2.gz	XEUUKRLHERKWJH-JSGCOSHPSA-N	-1	0	392.412	0.709	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704534	600821074	/nfs/dbraw/zinc/82/10/74/600821074.db2.gz	XEUUKRLHERKWJH-TZMCWYRMSA-N	-1	0	392.412	0.709	20	5		GCBDRM
C[C@]1(C2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O	ZINC000378178948	600833069	/nfs/dbraw/zinc/83/30/69/600833069.db2.gz	BWTSWNMVKYZHGD-QGZVFWFLSA-N	-1	0	390.352	0.743	20	5		GCBDRM
O=C([O-])Cn1ncc2c1ncn(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)c2=O	ZINC000833276894	600839038	/nfs/dbraw/zinc/83/90/38/600839038.db2.gz	SJWFRDJCTVXOAE-UHFFFAOYSA-N	-1	0	397.307	0.684	20	5		GCBDRM
COC(=O)c1cc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000831275794	600899642	/nfs/dbraw/zinc/89/96/42/600899642.db2.gz	CVSNQHZPIVADPE-UHFFFAOYSA-N	-1	0	375.293	0.880	20	5		GCBDRM
O=C([O-])CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CCOCC1	ZINC000567578448	600957775	/nfs/dbraw/zinc/95/77/75/600957775.db2.gz	KSMPBTPSIPYLMH-UHFFFAOYSA-N	-1	0	393.352	0.412	20	5		GCBDRM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000833184089	600958138	/nfs/dbraw/zinc/95/81/38/600958138.db2.gz	NUPCILUNVLOVJV-NEPJUHHUSA-N	-1	0	399.425	0.880	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-]	ZINC000832716724	600979360	/nfs/dbraw/zinc/97/93/60/600979360.db2.gz	TYSCBQWLARQRKX-UHFFFAOYSA-N	-1	0	386.382	0.704	20	5		GCBDRM
CS(=O)(=O)Cc1noc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000832681787	601064825	/nfs/dbraw/zinc/06/48/25/601064825.db2.gz	HQGVJBUELGXXOR-UHFFFAOYSA-N	-1	0	385.310	0.578	20	5		GCBDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1[N+](=O)[O-]	ZINC000832847762	601110907	/nfs/dbraw/zinc/11/09/07/601110907.db2.gz	TWPWKRFCHHOLQA-MRVPVSSYSA-N	-1	0	379.354	0.921	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC000832481755	601171562	/nfs/dbraw/zinc/17/15/62/601171562.db2.gz	PQJILQPRTCISEJ-LLVKDONJSA-N	-1	0	394.384	0.549	20	5		GCBDRM
COc1cc(CCNS(=O)(=O)N(C)CCC(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000592134442	601253886	/nfs/dbraw/zinc/25/38/86/601253886.db2.gz	WBUAHEQFWHAEDO-UHFFFAOYSA-N	-1	0	391.402	0.395	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC000832097573	601258314	/nfs/dbraw/zinc/25/83/14/601258314.db2.gz	HIDAUKJJKIDEJA-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000831977594	601327586	/nfs/dbraw/zinc/32/75/86/601327586.db2.gz	TUWBGPXCVNHDGF-UHFFFAOYSA-N	-1	0	396.352	0.935	20	5		GCBDRM
O=C([O-])CC1(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCOCC1	ZINC000262404232	601329646	/nfs/dbraw/zinc/32/96/46/601329646.db2.gz	ALHCHGXJOGGTHC-UHFFFAOYSA-N	-1	0	375.341	0.929	20	5		GCBDRM
COC(=O)C[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000831147710	601382007	/nfs/dbraw/zinc/38/20/07/601382007.db2.gz	HIRVNLMBBHENJD-LLVKDONJSA-N	-1	0	381.341	0.178	20	5		GCBDRM
COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCO[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831060332	601382746	/nfs/dbraw/zinc/38/27/46/601382746.db2.gz	SHBFDJJSUXBJJH-PWSUYJOCSA-N	-1	0	395.368	0.566	20	5		GCBDRM
COC(=O)C[C@H]1CN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000831148167	601382815	/nfs/dbraw/zinc/38/28/15/601382815.db2.gz	QFXHWWCJMBLFKF-JQWIXIFHSA-N	-1	0	395.368	0.566	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCN3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703558	601383143	/nfs/dbraw/zinc/38/31/43/601383143.db2.gz	OQGFIDJLVOCXJF-ONGXEEELSA-N	-1	0	377.357	0.012	20	5		GCBDRM
O=C([O-])[C@@]1(F)CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1	ZINC000829904617	601390522	/nfs/dbraw/zinc/39/05/22/601390522.db2.gz	GXUIGOHVAYONLK-CYBMUJFWSA-N	-1	0	376.318	0.553	20	5		GCBDRM
CNS(=O)(=O)C[C@@H]1CCCN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000831029608	601410716	/nfs/dbraw/zinc/41/07/16/601410716.db2.gz	YWDQXALPHIQFIP-QMMMGPOBSA-N	-1	0	388.358	0.719	20	5		GCBDRM
O=C([O-])CC1(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1	ZINC000593921568	601433972	/nfs/dbraw/zinc/43/39/72/601433972.db2.gz	JAUVMGAMQXELIH-UHFFFAOYSA-N	-1	0	385.398	0.777	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])C3CC3)cc2[N+](=O)[O-])CC1	ZINC000825847583	601593203	/nfs/dbraw/zinc/59/32/03/601593203.db2.gz	UNVZALQAVJSBQP-MRXNPFEDSA-N	-1	0	390.396	0.856	20	5		GCBDRM
CC(C)(CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000826559398	601711743	/nfs/dbraw/zinc/71/17/43/601711743.db2.gz	XTEZDXUVXHYKJS-CYBMUJFWSA-N	-1	0	399.425	0.975	20	5		GCBDRM
O=C([O-])C1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)CC1	ZINC000833098480	601718970	/nfs/dbraw/zinc/71/89/70/601718970.db2.gz	DZBPJJSJZLHTSD-UHFFFAOYSA-N	-1	0	399.425	0.935	20	5		GCBDRM
O=C([O-])C1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCS(=O)(=O)CC1	ZINC000833127440	601720743	/nfs/dbraw/zinc/72/07/43/601720743.db2.gz	LXCKEIMBKKFJNK-UHFFFAOYSA-N	-1	0	381.366	0.838	20	5		GCBDRM
O=C([O-])[C@@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCOC1	ZINC000833128768	601736975	/nfs/dbraw/zinc/73/69/75/601736975.db2.gz	MNKNMCGWUGVYLB-XXFAHNHDSA-N	-1	0	381.316	0.447	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCO1	ZINC000767178358	601739678	/nfs/dbraw/zinc/73/96/78/601739678.db2.gz	WGVPVKKPOCORGE-CYBMUJFWSA-N	-1	0	379.369	0.747	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000833216337	601742488	/nfs/dbraw/zinc/74/24/88/601742488.db2.gz	LOQFHNNVLLFMSF-CYBMUJFWSA-N	-1	0	380.357	0.096	20	5		GCBDRM
C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC000262906225	601757820	/nfs/dbraw/zinc/75/78/20/601757820.db2.gz	FDJAEXNPODWGHL-ZWNOBZJWSA-N	-1	0	385.398	0.442	20	5		GCBDRM
C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000422573074	601758179	/nfs/dbraw/zinc/75/81/79/601758179.db2.gz	PPKIFXFUHMGUDJ-ZWNOBZJWSA-N	-1	0	385.398	0.442	20	5		GCBDRM
C[C@H](CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(=O)[O-]	ZINC000827545986	601775584	/nfs/dbraw/zinc/77/55/84/601775584.db2.gz	GUTYKCDVVKAOEL-SECBINFHSA-N	-1	0	391.427	0.465	20	5		GCBDRM
Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cc1[N+](=O)[O-]	ZINC000832955162	601808593	/nfs/dbraw/zinc/80/85/93/601808593.db2.gz	KWIPYDOHRSPULM-UHFFFAOYSA-N	-1	0	392.411	0.214	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCC(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702963	602136752	/nfs/dbraw/zinc/13/67/52/602136752.db2.gz	FBSHRXJPALZCLD-SNVBAGLBSA-N	-1	0	399.425	0.811	20	5		GCBDRM
C[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000262812413	602243680	/nfs/dbraw/zinc/24/36/80/602243680.db2.gz	QIUPNHJLISHGCE-MFKMUULPSA-N	-1	0	385.398	0.727	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1Cl	ZINC000833129135	602251898	/nfs/dbraw/zinc/25/18/98/602251898.db2.gz	DBNQEVIKSLXFDE-UHFFFAOYSA-N	-1	0	396.787	0.874	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NC[C@]2(CCO)CCOC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703871	602324724	/nfs/dbraw/zinc/32/47/24/602324724.db2.gz	SOIRGQDXWLXYHX-GTNSWQLSSA-N	-1	0	381.385	0.999	20	5		GCBDRM
CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1	ZINC000830524073	602347305	/nfs/dbraw/zinc/34/73/05/602347305.db2.gz	SYDYVDPYLHFQLE-UHFFFAOYSA-N	-1	0	385.398	0.789	20	5		GCBDRM
COc1ncccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826222430	607584136	/nfs/dbraw/zinc/58/41/36/607584136.db2.gz	WLQZJXOKDXWELW-UHFFFAOYSA-N	-1	0	391.369	0.657	20	5		GCBDRM
CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825220808	607585015	/nfs/dbraw/zinc/58/50/15/607585015.db2.gz	WXXXBWRVIGATLY-NXEZZACHSA-N	-1	0	382.402	0.963	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc(C3CC3)no2)c1-c1nnn[n-]1	ZINC000826500011	607601546	/nfs/dbraw/zinc/60/15/46/607601546.db2.gz	HXMOTOWFQAMNBN-UHFFFAOYSA-N	-1	0	392.357	0.514	20	5		GCBDRM
Cc1c(C(=O)NC2CCN(C(=O)[O-])CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000738169777	603117920	/nfs/dbraw/zinc/11/79/20/603117920.db2.gz	UJLXMHDZMHBOOB-UHFFFAOYSA-N	-1	0	386.386	0.423	20	5		GCBDRM
NC(=O)C1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000826389635	607612142	/nfs/dbraw/zinc/61/21/42/607612142.db2.gz	DAFCUZKNICDLNL-UHFFFAOYSA-N	-1	0	395.401	0.097	20	5		GCBDRM
O=C([O-])N1CCC[C@@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000739388366	603300855	/nfs/dbraw/zinc/30/08/55/603300855.db2.gz	QQDGFGLCRQWFNU-MRVWCRGKSA-N	-1	0	382.373	0.431	20	5		GCBDRM
O=C([O-])N1CCC[C@@H](NC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000739388365	603301046	/nfs/dbraw/zinc/30/10/46/603301046.db2.gz	QQDGFGLCRQWFNU-KWCYVHTRSA-N	-1	0	382.373	0.431	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CCO)CC2)c1-c1nnn[n-]1	ZINC000826500267	607624254	/nfs/dbraw/zinc/62/42/54/607624254.db2.gz	RAHLRABGKXZWEY-UHFFFAOYSA-N	-1	0	382.402	0.558	20	5		GCBDRM
CCC[C@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825242553	607656114	/nfs/dbraw/zinc/65/61/14/607656114.db2.gz	UUKLLLFYXOSQJY-SNVBAGLBSA-N	-1	0	384.418	0.852	20	5		GCBDRM
CC[C@@H](C[C@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825089309	607657471	/nfs/dbraw/zinc/65/74/71/607657471.db2.gz	CJIQKXZIDAARPN-UWVGGRQHSA-N	-1	0	384.418	0.850	20	5		GCBDRM
COC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C1CC1	ZINC000826112122	607658276	/nfs/dbraw/zinc/65/82/76/607658276.db2.gz	SPQBAMDZAQVCPC-LLVKDONJSA-N	-1	0	382.358	0.005	20	5		GCBDRM
C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824442116	607667032	/nfs/dbraw/zinc/66/70/32/607667032.db2.gz	UPPHQCZJESFLIX-ZJUUUORDSA-N	-1	0	398.401	0.247	20	5		GCBDRM
COCCCOC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000826156406	607667840	/nfs/dbraw/zinc/66/78/40/607667840.db2.gz	BNKCFYMUGBOXFH-UHFFFAOYSA-N	-1	0	398.401	0.201	20	5		GCBDRM
C[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824402628	607670195	/nfs/dbraw/zinc/67/01/95/607670195.db2.gz	XNTCZWNSDLIZBY-NXEZZACHSA-N	-1	0	382.402	0.868	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C1CCOCC1	ZINC000824640426	607673709	/nfs/dbraw/zinc/67/37/09/607673709.db2.gz	IMBNXNVSBMQYPU-SECBINFHSA-N	-1	0	382.402	0.868	20	5		GCBDRM
C[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)[S@@](C)=O	ZINC000824400122	607674515	/nfs/dbraw/zinc/67/45/15/607674515.db2.gz	AILVJWNIXCMHCV-OYWLMSRLSA-N	-1	0	388.431	0.210	20	5		GCBDRM
CC(C)(C)C[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824087374	607677696	/nfs/dbraw/zinc/67/76/96/607677696.db2.gz	UDFDFRHEWZTGGL-SECBINFHSA-N	-1	0	384.418	0.850	20	5		GCBDRM
Cc1cc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832891088	604629156	/nfs/dbraw/zinc/62/91/56/604629156.db2.gz	KIZNYQXDXBUDJY-LBPRGKRZSA-N	-1	0	383.426	0.911	20	5		GCBDRM
O=C(CN1C(=O)c2ccccc2C1=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC000833105385	604713326	/nfs/dbraw/zinc/71/33/26/604713326.db2.gz	BSXVTHZQNGHEKE-UHFFFAOYSA-N	-1	0	385.288	0.320	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NCCNS(=O)(=O)c2cccnc2)cc([N+](=O)[O-])c1	ZINC000833297332	604830734	/nfs/dbraw/zinc/83/07/34/604830734.db2.gz	FQYQKPCQDNVHJI-UHFFFAOYSA-N	-1	0	394.365	0.396	20	5		GCBDRM
CN(CC(C)(C)S(C)(=O)=O)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000833691429	605043166	/nfs/dbraw/zinc/04/31/66/605043166.db2.gz	AYLCLVNLOKRNOI-UHFFFAOYSA-N	-1	0	387.414	0.669	20	5		GCBDRM
Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])CCO2	ZINC000833757313	605244984	/nfs/dbraw/zinc/24/49/84/605244984.db2.gz	ZROPLCKCQCDNAJ-UHFFFAOYSA-N	-1	0	382.354	0.923	20	5		GCBDRM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833744731	605296246	/nfs/dbraw/zinc/29/62/46/605296246.db2.gz	IRXKAGQLQFIGND-CYBMUJFWSA-N	-1	0	376.362	0.889	20	5		GCBDRM
C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824698694	607747555	/nfs/dbraw/zinc/74/75/55/607747555.db2.gz	NCAQJDSVTPIBDK-NXEZZACHSA-N	-1	0	382.402	0.699	20	5		GCBDRM
CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000833463848	605388992	/nfs/dbraw/zinc/38/89/92/605388992.db2.gz	RCKJOICRVNZCRJ-UHFFFAOYSA-N	-1	0	385.398	0.782	20	5		GCBDRM
C[C@H]1CN(CCC(=O)[O-])CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000833629745	605392134	/nfs/dbraw/zinc/39/21/34/605392134.db2.gz	ZABQZQOWCPUDTP-ZDUSSCGKSA-N	-1	0	385.442	0.849	20	5		GCBDRM
CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833658212	605399783	/nfs/dbraw/zinc/39/97/83/605399783.db2.gz	XRWOGQFWJWFXSG-SECBINFHSA-N	-1	0	386.386	0.375	20	5		GCBDRM
CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833389491	605401086	/nfs/dbraw/zinc/40/10/86/605401086.db2.gz	CKFXEWHUVLWQJC-LLVKDONJSA-N	-1	0	385.398	0.782	20	5		GCBDRM
CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H](C)C1	ZINC000833394131	605401207	/nfs/dbraw/zinc/40/12/07/605401207.db2.gz	OICUPLZUQUHAOG-ZANVPECISA-N	-1	0	385.398	0.828	20	5		GCBDRM
CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833389493	605401279	/nfs/dbraw/zinc/40/12/79/605401279.db2.gz	CKFXEWHUVLWQJC-NSHDSACASA-N	-1	0	385.398	0.782	20	5		GCBDRM
O=C([O-])c1cn(C2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)nn1	ZINC000780316818	605536191	/nfs/dbraw/zinc/53/61/91/605536191.db2.gz	HXEQUIJRCGZIKT-UHFFFAOYSA-N	-1	0	383.324	0.767	20	5		GCBDRM
CCOc1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])cc1OC	ZINC000780316840	605543517	/nfs/dbraw/zinc/54/35/17/605543517.db2.gz	KVIRINYHIKGSQD-UHFFFAOYSA-N	-1	0	391.340	0.989	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC000833708743	605647251	/nfs/dbraw/zinc/64/72/51/605647251.db2.gz	RJVSNTZRYBZHFD-TVQRCGJNSA-N	-1	0	384.316	0.978	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC000833711321	605773117	/nfs/dbraw/zinc/77/31/17/605773117.db2.gz	WDMDROCBCUJCFM-AAEUAGOBSA-N	-1	0	394.336	0.651	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000822623546	606709779	/nfs/dbraw/zinc/70/97/79/606709779.db2.gz	ZLDURMUJCSTMJO-UHFFFAOYSA-N	-1	0	384.765	0.963	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000822623412	606711273	/nfs/dbraw/zinc/71/12/73/606711273.db2.gz	WFIVBDPSBRJSMQ-UHFFFAOYSA-N	-1	0	384.765	0.963	20	5		GCBDRM
CN(C[C@H]1CCCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821596510	606733176	/nfs/dbraw/zinc/73/31/76/606733176.db2.gz	MFOALLFGFVODEQ-SNVBAGLBSA-N	-1	0	382.402	0.965	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1-c1nnn[n-]1	ZINC000823648254	606733708	/nfs/dbraw/zinc/73/37/08/606733708.db2.gz	SZBHNZCMSXZTMM-UHFFFAOYSA-N	-1	0	393.429	0.491	20	5		GCBDRM
C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000820750943	606734265	/nfs/dbraw/zinc/73/42/65/606734265.db2.gz	DOHGJNSWTFHZRM-WDEREUQCSA-N	-1	0	395.445	0.736	20	5		GCBDRM
CN(C[C@H]1CCCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821596696	606735066	/nfs/dbraw/zinc/73/50/66/606735066.db2.gz	RQRUJADSZCAFPM-SNVBAGLBSA-N	-1	0	382.402	0.822	20	5		GCBDRM
Cc1cc(C)[nH]c(=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)n1	ZINC000822198660	607154375	/nfs/dbraw/zinc/15/43/75/607154375.db2.gz	FBAWRRBYQCGUBQ-UHFFFAOYSA-N	-1	0	391.373	0.487	20	5		GCBDRM
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826449685	607779792	/nfs/dbraw/zinc/77/97/92/607779792.db2.gz	FLRWMMMMINFYAI-UHFFFAOYSA-N	-1	0	391.369	0.405	20	5		GCBDRM
CN(C1CCC(CO)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825887712	607971156	/nfs/dbraw/zinc/97/11/56/607971156.db2.gz	JZFUTDMLDNSMCK-UHFFFAOYSA-N	-1	0	396.429	0.947	20	5		GCBDRM
CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O	ZINC000824333269	608096058	/nfs/dbraw/zinc/09/60/58/608096058.db2.gz	HLLIUTQXVVIUMD-UHFFFAOYSA-N	-1	0	387.356	0.471	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3COCC[C@H]32)c1-c1nnn[n-]1	ZINC000826500085	608303467	/nfs/dbraw/zinc/30/34/67/608303467.db2.gz	KPTGOTUMXZMBBG-GHMZBOCLSA-N	-1	0	394.413	0.965	20	5		GCBDRM
CO[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826146443	608425022	/nfs/dbraw/zinc/42/50/22/608425022.db2.gz	WCJBIUHRQNVLGL-MWLCHTKSSA-N	-1	0	382.402	0.868	20	5		GCBDRM
CN(CC1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825915248	608446192	/nfs/dbraw/zinc/44/61/92/608446192.db2.gz	VVQRVZOXXROYKW-UHFFFAOYSA-N	-1	0	382.402	0.822	20	5		GCBDRM
Cc1nn(C)c(C)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826333701	608562628	/nfs/dbraw/zinc/56/26/28/608562628.db2.gz	RLLMVGXFYCXNKB-UHFFFAOYSA-N	-1	0	379.358	0.893	20	5		GCBDRM
C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000824998985	608834555	/nfs/dbraw/zinc/83/45/55/608834555.db2.gz	BMWBOHVOKJGDKO-LLVKDONJSA-N	-1	0	397.399	0.981	20	5		GCBDRM
COc1ncccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826221992	609497305	/nfs/dbraw/zinc/49/73/05/609497305.db2.gz	DCULYPLALRBPRN-UHFFFAOYSA-N	-1	0	378.326	0.946	20	5		GCBDRM
C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1I)C(=O)[O-]	ZINC000262474399	639085609	/nfs/dbraw/zinc/08/56/09/639085609.db2.gz	ZNCPXDQMFGAWAP-LLVKDONJSA-N	-1	0	394.121	0.765	20	5		GCBDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000730920873	639746116	/nfs/dbraw/zinc/74/61/16/639746116.db2.gz	YYPGWUAGGDLMKC-UHFFFAOYSA-N	-1	0	376.412	0.837	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000731288728	639760719	/nfs/dbraw/zinc/76/07/19/639760719.db2.gz	SNLKKPXMWWGYCD-UHFFFAOYSA-N	-1	0	380.400	0.233	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@]12CCC(=O)N1CCS2	ZINC000732620587	639812736	/nfs/dbraw/zinc/81/27/36/639812736.db2.gz	SCNVBYFOCVKFIB-NSHDSACASA-N	-1	0	377.425	0.527	20	5		GCBDRM
NC(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732620284	639812825	/nfs/dbraw/zinc/81/28/25/639812825.db2.gz	MFTNMEPNZFXWQV-UHFFFAOYSA-N	-1	0	385.379	0.639	20	5		GCBDRM
O=[N+]([O-])c1cc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1[O-]	ZINC000917877954	639860261	/nfs/dbraw/zinc/86/02/61/639860261.db2.gz	OTELABIDXWBEGH-JTQLQIEISA-N	-1	0	376.412	0.641	20	5		GCBDRM
CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000737890351	639959885	/nfs/dbraw/zinc/95/98/85/639959885.db2.gz	RQNCSPABJLDMOL-UHFFFAOYSA-N	-1	0	380.400	0.314	20	5		GCBDRM
CC(C)CS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000739171246	640182285	/nfs/dbraw/zinc/18/22/85/640182285.db2.gz	KMRFDYXTBRNFGH-UHFFFAOYSA-N	-1	0	393.443	0.317	20	5		GCBDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000838845244	640192143	/nfs/dbraw/zinc/19/21/43/640192143.db2.gz	MMYGYMSEIUMYIJ-UHFFFAOYSA-N	-1	0	382.297	0.819	20	5		GCBDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000838844914	640192287	/nfs/dbraw/zinc/19/22/87/640192287.db2.gz	FAEGDTTWKUVGKB-UHFFFAOYSA-N	-1	0	395.187	0.980	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]c2ccn(CCS(C)(=O)=O)n2)ccc1[N+](=O)[O-]	ZINC000741200897	640222649	/nfs/dbraw/zinc/22/26/49/640222649.db2.gz	KCJOHVYJCHOKNT-UHFFFAOYSA-N	-1	0	388.427	0.945	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000747244602	640306787	/nfs/dbraw/zinc/30/67/87/640306787.db2.gz	OOZVLMCIVVWNRU-UHFFFAOYSA-N	-1	0	383.304	0.920	20	5		GCBDRM
C[C@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750759976	640367309	/nfs/dbraw/zinc/36/73/09/640367309.db2.gz	KXVGGNGBJQZGIZ-QMMMGPOBSA-N	-1	0	384.395	0.675	20	5		GCBDRM
CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000754679652	640457888	/nfs/dbraw/zinc/45/78/88/640457888.db2.gz	BPAYCAZYFGKEPI-UHFFFAOYSA-N	-1	0	399.834	0.460	20	5		GCBDRM
Cn1cc(S(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(=O)n(C)c1=O	ZINC000757350673	640508068	/nfs/dbraw/zinc/50/80/68/640508068.db2.gz	IVRABOWOXGIZJZ-UHFFFAOYSA-N	-1	0	388.789	0.124	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)C(=O)C1CC1	ZINC000759380471	640547910	/nfs/dbraw/zinc/54/79/10/640547910.db2.gz	AEFPVYJGXUTTIB-UHFFFAOYSA-N	-1	0	390.805	0.504	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2C)s1	ZINC000759507962	640551039	/nfs/dbraw/zinc/55/10/39/640551039.db2.gz	CDZUTCVHYOPUFP-UHFFFAOYSA-N	-1	0	385.383	0.832	20	5		GCBDRM
CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000761420375	640593813	/nfs/dbraw/zinc/59/38/13/640593813.db2.gz	JQHCTNHYIJMXJA-UHFFFAOYSA-N	-1	0	375.359	0.545	20	5		GCBDRM
COCCCCS(=O)(=O)[N-]C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000766966901	640712224	/nfs/dbraw/zinc/71/22/24/640712224.db2.gz	IREIEVWMWSSXNI-UHFFFAOYSA-N	-1	0	376.387	0.855	20	5		GCBDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000768027174	640743465	/nfs/dbraw/zinc/74/34/65/640743465.db2.gz	XGTFPNNHGGEMDL-UHFFFAOYSA-N	-1	0	385.379	0.886	20	5		GCBDRM
CCOc1ccc(C(=O)[N-]S(=O)(=O)CCOCCOC)cc1[N+](=O)[O-]	ZINC000768211537	640746569	/nfs/dbraw/zinc/74/65/69/640746569.db2.gz	IGIYZQDMJFUTLA-UHFFFAOYSA-N	-1	0	376.387	0.716	20	5		GCBDRM
O=C([N-]S(=O)(=O)CCCF)c1cccc([N+](=O)[O-])c1N1CCOCC1	ZINC000776523501	641099626	/nfs/dbraw/zinc/09/96/26/641099626.db2.gz	JCRYRZDBAXQJRN-UHFFFAOYSA-N	-1	0	375.378	0.851	20	5		GCBDRM
COC[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776626241	641107631	/nfs/dbraw/zinc/10/76/31/641107631.db2.gz	MHKFNEIKJZWRJQ-ZETCQYMHSA-N	-1	0	383.176	0.735	20	5		GCBDRM
O=C([O-])CCN(CCO)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000776678762	641110215	/nfs/dbraw/zinc/11/02/15/641110215.db2.gz	IPKVHPMWUKJYFJ-UHFFFAOYSA-N	-1	0	397.203	0.815	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-]	ZINC000776714866	641114276	/nfs/dbraw/zinc/11/42/76/641114276.db2.gz	JAUJVBYWMCEBEY-WYVULQQZSA-N	-1	0	396.830	0.763	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cc([N+](=O)[O-])c1	ZINC000780608725	641211925	/nfs/dbraw/zinc/21/19/25/641211925.db2.gz	FKYGRILDSZSHNM-LLVKDONJSA-N	-1	0	392.411	0.237	20	5		GCBDRM
Cn1nncc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000781741394	641236563	/nfs/dbraw/zinc/23/65/63/641236563.db2.gz	TYUPNKXJFFAWEB-UHFFFAOYSA-N	-1	0	377.285	0.443	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000789479329	641390705	/nfs/dbraw/zinc/39/07/05/641390705.db2.gz	JMNIXECERDRKKE-UHFFFAOYSA-N	-1	0	393.443	0.380	20	5		GCBDRM
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCS1(=O)=O	ZINC000791828017	641438560	/nfs/dbraw/zinc/43/85/60/641438560.db2.gz	TZRHULYTRZVBGA-CYBMUJFWSA-N	-1	0	390.439	0.551	20	5		GCBDRM
O=C1CCC(=O)N1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795840022	641526648	/nfs/dbraw/zinc/52/66/48/641526648.db2.gz	UTWPSACLPHRPJE-UHFFFAOYSA-N	-1	0	379.753	0.815	20	5		GCBDRM
O=C1CN(CCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCN1	ZINC000795904506	641529632	/nfs/dbraw/zinc/52/96/32/641529632.db2.gz	SCHSGDJOBQHXRJ-UHFFFAOYSA-N	-1	0	394.812	0.488	20	5		GCBDRM
Cc1nnc(COCC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)s1	ZINC000796824760	641548912	/nfs/dbraw/zinc/54/89/12/641548912.db2.gz	BGIOHSURNHMWPP-UHFFFAOYSA-N	-1	0	390.374	0.916	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1COCCN1CC(F)F	ZINC000798812106	641593828	/nfs/dbraw/zinc/59/38/28/641593828.db2.gz	ODBZZVUTFHNEAE-JTQLQIEISA-N	-1	0	379.341	0.366	20	5		GCBDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CCC(=O)NC1	ZINC000798833694	641595899	/nfs/dbraw/zinc/59/58/99/641595899.db2.gz	KYZDJJLHYFHVFC-CYBMUJFWSA-N	-1	0	390.805	0.552	20	5		GCBDRM
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1	ZINC000799520228	641607642	/nfs/dbraw/zinc/60/76/42/641607642.db2.gz	PFDSWJFFXUPQLZ-UHFFFAOYSA-N	-1	0	386.411	0.886	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-]	ZINC000808987898	641698217	/nfs/dbraw/zinc/69/82/17/641698217.db2.gz	MFIJUPCFAGOASH-SSDOTTSWSA-N	-1	0	390.805	0.694	20	5		GCBDRM
O=c1nc(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[n-]o1	ZINC000810075357	641719830	/nfs/dbraw/zinc/71/98/30/641719830.db2.gz	KLTVWUGRIPMYBO-UHFFFAOYSA-N	-1	0	393.175	0.555	20	5		GCBDRM
Cn1cnc(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1	ZINC000810632091	641734752	/nfs/dbraw/zinc/73/47/52/641734752.db2.gz	SIBTXCVRAAIWEA-UHFFFAOYSA-N	-1	0	390.175	0.605	20	5		GCBDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1	ZINC000811155957	641751781	/nfs/dbraw/zinc/75/17/81/641751781.db2.gz	OLBKLOGANWKYGR-UHFFFAOYSA-N	-1	0	392.411	0.237	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000817874692	641890949	/nfs/dbraw/zinc/89/09/49/641890949.db2.gz	MHWXGKGCNHRZNF-NSHDSACASA-N	-1	0	391.789	0.370	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	ZINC000817871226	641890955	/nfs/dbraw/zinc/89/09/55/641890955.db2.gz	AJGLJIAXXUASNP-NSHDSACASA-N	-1	0	394.764	0.640	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000802122062	642144000	/nfs/dbraw/zinc/14/40/00/642144000.db2.gz	AGRMTUGZILKXFC-VIFPVBQESA-N	-1	0	392.411	0.094	20	5		GCBDRM
COC[C@]1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CCOC1	ZINC000835182564	642224256	/nfs/dbraw/zinc/22/42/56/642224256.db2.gz	LYGHVKRJVYOWIR-CYBMUJFWSA-N	-1	0	393.805	0.688	20	5		GCBDRM
COCCn1cc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1	ZINC000842296569	642329555	/nfs/dbraw/zinc/32/95/55/642329555.db2.gz	LWVHTBYFAIRPOG-UHFFFAOYSA-N	-1	0	389.777	0.605	20	5		GCBDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000842355728	642331903	/nfs/dbraw/zinc/33/19/03/642331903.db2.gz	MTCFPUAUMACNTF-UHFFFAOYSA-N	-1	0	382.297	0.819	20	5		GCBDRM
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000842452292	642336484	/nfs/dbraw/zinc/33/64/84/642336484.db2.gz	RJGINNYOXFJIIH-ZCFIWIBFSA-N	-1	0	383.304	0.943	20	5		GCBDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1	ZINC000846002132	642465892	/nfs/dbraw/zinc/46/58/92/642465892.db2.gz	CRRBFLCBSTVAOS-UHFFFAOYSA-N	-1	0	376.347	0.119	20	5		GCBDRM
O=C(C[C@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000850885721	642700604	/nfs/dbraw/zinc/70/06/04/642700604.db2.gz	JWERYOKKBWHTRT-SECBINFHSA-N	-1	0	394.402	0.754	20	5		GCBDRM
C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000850888056	642701189	/nfs/dbraw/zinc/70/11/89/642701189.db2.gz	HBWHCEKWBQOZBN-SSDOTTSWSA-N	-1	0	389.390	0.848	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(NS(C)(=O)=O)c2)n1	ZINC000858888542	642969763	/nfs/dbraw/zinc/96/97/63/642969763.db2.gz	NXCVJZDBFODQNW-UHFFFAOYSA-N	-1	0	389.415	0.178	20	5		GCBDRM
C[C@@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000859097025	642979464	/nfs/dbraw/zinc/97/94/64/642979464.db2.gz	KQTLDSJKFADIAD-VIFPVBQESA-N	-1	0	377.423	0.910	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C/C=C/CNC(=O)OC(C)(C)C)n1	ZINC000859103196	642979874	/nfs/dbraw/zinc/97/98/74/642979874.db2.gz	IJZLXNCVRAVBDV-AATRIKPKSA-N	-1	0	375.407	0.688	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-]	ZINC000860449040	643033448	/nfs/dbraw/zinc/03/34/48/643033448.db2.gz	ASKMPYBRNRZNFM-MNOVXSKESA-N	-1	0	391.789	0.394	20	5		GCBDRM
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000860566105	643037793	/nfs/dbraw/zinc/03/77/93/643037793.db2.gz	SEZTWQZDMHXKCQ-NSHDSACASA-N	-1	0	378.794	0.406	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)O1	ZINC000860608432	643038919	/nfs/dbraw/zinc/03/89/19/643038919.db2.gz	APPGQVQGTGGJBS-ZJUUUORDSA-N	-1	0	376.318	0.259	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O	ZINC000512079021	1192428520	/nfs/dbraw/zinc/42/85/20/1192428520.db2.gz	WMGCTOFAUMVMNC-UHFFFAOYSA-N	-1	0	396.385	0.315	20	5		GCBDRM
O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NS(=O)(=O)[C@@H]1CCOC1	ZINC000274952482	1184441574	/nfs/dbraw/zinc/44/15/74/1184441574.db2.gz	GMFHIOMKWXNASI-BXUZGUMPSA-N	-1	0	383.382	0.780	20	5		GCBDRM
CCOC(=O)CNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000275053050	1184477913	/nfs/dbraw/zinc/47/79/13/1184477913.db2.gz	LXPLAEWYPIMKMU-UHFFFAOYSA-N	-1	0	379.369	0.832	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1C	ZINC000275056079	1184480549	/nfs/dbraw/zinc/48/05/49/1184480549.db2.gz	YBMRHYPWBFGNEP-LLVKDONJSA-N	-1	0	385.398	0.423	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O	ZINC000275078317	1184498897	/nfs/dbraw/zinc/49/88/97/1184498897.db2.gz	IFTLCKLKKMTNGM-ZYHUDNBSSA-N	-1	0	385.398	0.496	20	5		GCBDRM
NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000275102624	1184508180	/nfs/dbraw/zinc/50/81/80/1184508180.db2.gz	LVDPSSMKQRQCSV-WCQYABFASA-N	-1	0	385.398	0.118	20	5		GCBDRM
COC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)nn1	ZINC000275133489	1184528653	/nfs/dbraw/zinc/52/86/53/1184528653.db2.gz	OWDHNPUEZCFMHV-UHFFFAOYSA-N	-1	0	387.352	0.839	20	5		GCBDRM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC000275145696	1184532667	/nfs/dbraw/zinc/53/26/67/1184532667.db2.gz	QXLVDLBVFLOOAX-ONGXEEELSA-N	-1	0	383.382	0.275	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])o1	ZINC000547899961	1184738544	/nfs/dbraw/zinc/73/85/44/1184738544.db2.gz	KEMOHECUJXJCEP-LLVKDONJSA-N	-1	0	398.349	0.949	20	5		GCBDRM
C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21	ZINC000547911129	1184754174	/nfs/dbraw/zinc/75/41/74/1184754174.db2.gz	KHQYZZAPZICJTE-JTQLQIEISA-N	-1	0	383.382	0.989	20	5		GCBDRM
CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599340351	1184769925	/nfs/dbraw/zinc/76/99/25/1184769925.db2.gz	UMKLEVOXPNAJRD-JTQLQIEISA-N	-1	0	390.418	0.498	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000471458509	1184873307	/nfs/dbraw/zinc/87/33/07/1184873307.db2.gz	IQLTYHSVTVAFCS-MLGOLLRUSA-N	-1	0	399.425	0.398	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1	ZINC000050208193	1185219138	/nfs/dbraw/zinc/21/91/38/1185219138.db2.gz	FAPJOXSCRWRUTE-UHFFFAOYSA-N	-1	0	392.393	0.919	20	5		GCBDRM
Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000262168112	1185382842	/nfs/dbraw/zinc/38/28/42/1185382842.db2.gz	DQBROOBGEWDUMD-NOZJJQNGSA-N	-1	0	375.341	0.798	20	5		GCBDRM
C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H](C(=O)[O-])O1	ZINC000262180248	1185394052	/nfs/dbraw/zinc/39/40/52/1185394052.db2.gz	GFRYVOCTGWRPEU-NOZJJQNGSA-N	-1	0	379.325	0.021	20	5		GCBDRM
COc1cc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000262259907	1185723275	/nfs/dbraw/zinc/72/32/75/1185723275.db2.gz	WPHLACNDSPQNFQ-LBPRGKRZSA-N	-1	0	379.369	0.999	20	5		GCBDRM
O=C([O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1cnc2n1CCC2	ZINC000548219713	1185892568	/nfs/dbraw/zinc/89/25/68/1185892568.db2.gz	MKHFZTHVGPGWPR-GFCCVEGCSA-N	-1	0	380.382	0.712	20	5		GCBDRM
COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000548234155	1185902466	/nfs/dbraw/zinc/90/24/66/1185902466.db2.gz	UAXRITRDGWNUQU-UHFFFAOYSA-N	-1	0	390.370	0.493	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc([N+](=O)[O-])c1C	ZINC000548247184	1185909238	/nfs/dbraw/zinc/90/92/38/1185909238.db2.gz	BXUKQAGHSBVYAH-GWCFXTLKSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000276834552	1186105333	/nfs/dbraw/zinc/10/53/33/1186105333.db2.gz	BNWBDBKVNMKAQD-JQWIXIFHSA-N	-1	0	385.398	0.551	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2)c([N+](=O)[O-])n1	ZINC000471983782	1186250061	/nfs/dbraw/zinc/25/00/61/1186250061.db2.gz	DBZDEFJAAFAQNU-UHFFFAOYSA-N	-1	0	379.358	0.898	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277222910	1186297882	/nfs/dbraw/zinc/29/78/82/1186297882.db2.gz	IDJGPLMGOVBOKL-VIFPVBQESA-N	-1	0	394.333	0.427	20	5		GCBDRM
Cc1ccc(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548556385	1186315549	/nfs/dbraw/zinc/31/55/49/1186315549.db2.gz	GMRAYCJXFJXSEJ-LBPRGKRZSA-N	-1	0	382.398	0.859	20	5		GCBDRM
CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000548591024	1186331199	/nfs/dbraw/zinc/33/11/99/1186331199.db2.gz	ATLOEDUCGAVWTB-RNCFNFMXSA-N	-1	0	390.370	0.259	20	5		GCBDRM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(S(=O)(=O)c2cc[nH]n2)CC1	ZINC000277324207	1186332068	/nfs/dbraw/zinc/33/20/68/1186332068.db2.gz	CFVVMBADAUNDEF-UHFFFAOYSA-N	-1	0	381.370	0.170	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1	ZINC000263172388	1186359198	/nfs/dbraw/zinc/35/91/98/1186359198.db2.gz	YVGWEQMYRLRWKD-RISCZKNCSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CCO[C@@H]1C[C@](NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000548685470	1186424285	/nfs/dbraw/zinc/42/42/85/1186424285.db2.gz	MOJGNISMORHJDU-YGRLFVJLSA-N	-1	0	390.418	0.748	20	5		GCBDRM
C[C@@H](CN(C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nnn[n-]1	ZINC000478087209	1186504316	/nfs/dbraw/zinc/50/43/16/1186504316.db2.gz	QYMGROJOFKOBPC-JTQLQIEISA-N	-1	0	397.417	0.038	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCn1cc(C(=O)[O-])nn1	ZINC000582593359	1186578182	/nfs/dbraw/zinc/57/81/82/1186578182.db2.gz	UVOXCYYOYVIIOP-UHFFFAOYSA-N	-1	0	399.385	0.652	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000582847870	1186710844	/nfs/dbraw/zinc/71/08/44/1186710844.db2.gz	ARXLDKGTANUMLB-NHYWBVRUSA-N	-1	0	386.382	0.909	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	ZINC000583118782	1186774680	/nfs/dbraw/zinc/77/46/80/1186774680.db2.gz	YXYBCIHQBPBJHQ-YGRLFVJLSA-N	-1	0	393.352	0.763	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCOC)c([N+](=O)[O-])n1	ZINC000535990313	1186821521	/nfs/dbraw/zinc/82/15/21/1186821521.db2.gz	WGMPRZLZTQQWQP-UHFFFAOYSA-N	-1	0	397.413	0.988	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)c([N+](=O)[O-])n1	ZINC000535991261	1186822526	/nfs/dbraw/zinc/82/25/26/1186822526.db2.gz	UHTMJHRFASHIJS-UHFFFAOYSA-N	-1	0	394.369	0.668	20	5		GCBDRM
COC(=O)Cn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)cn1	ZINC000468358516	1186956629	/nfs/dbraw/zinc/95/66/29/1186956629.db2.gz	ASEADWROBHCAQQ-UHFFFAOYSA-N	-1	0	398.353	0.552	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000584329037	1187031945	/nfs/dbraw/zinc/03/19/45/1187031945.db2.gz	YOYGPIWEPNCPAE-XHDPSFHLSA-N	-1	0	386.382	0.715	20	5		GCBDRM
C[C@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000580660311	1187695403	/nfs/dbraw/zinc/69/54/03/1187695403.db2.gz	ZSKIVCBAQKKKKS-LBPRGKRZSA-N	-1	0	399.425	0.929	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCCn1cc(C(=O)[O-])nn1	ZINC000582288460	1187735813	/nfs/dbraw/zinc/73/58/13/1187735813.db2.gz	OYEGTIDGUVGBCT-UHFFFAOYSA-N	-1	0	383.386	0.952	20	5		GCBDRM
CCOC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000414336115	1187839655	/nfs/dbraw/zinc/83/96/55/1187839655.db2.gz	VUMDCJCSXOLIPA-UHFFFAOYSA-N	-1	0	390.370	0.459	20	5		GCBDRM
CCOC(=O)c1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc([N+](=O)[O-])c1	ZINC000377600417	1188086174	/nfs/dbraw/zinc/08/61/74/1188086174.db2.gz	MOPIDWKIIFBOGC-LBPRGKRZSA-N	-1	0	376.329	0.498	20	5		GCBDRM
COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1	ZINC000416449416	1189521094	/nfs/dbraw/zinc/52/10/94/1189521094.db2.gz	VPHCNDJXCBZFGX-BXKDBHETSA-N	-1	0	380.357	0.898	20	5		GCBDRM
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)cn1	ZINC000728765798	1189611676	/nfs/dbraw/zinc/61/16/76/1189611676.db2.gz	SCSAGHOHEJWFTD-UHFFFAOYSA-N	-1	0	382.329	0.607	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000417448537	1189667036	/nfs/dbraw/zinc/66/70/36/1189667036.db2.gz	VDFSKJJLFQQVND-UONOGXRCSA-N	-1	0	399.425	0.724	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000576208624	1193812718	/nfs/dbraw/zinc/81/27/18/1193812718.db2.gz	OVTZOZCLPFEPLD-LBPRGKRZSA-N	-1	0	382.398	0.919	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cc1[N+](=O)[O-]	ZINC000513487275	1193956983	/nfs/dbraw/zinc/95/69/83/1193956983.db2.gz	AONOQJHNPDAEQB-UHFFFAOYSA-N	-1	0	380.386	0.711	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1	ZINC000263126076	1193962394	/nfs/dbraw/zinc/96/23/94/1193962394.db2.gz	VPWCQEMRDFCTPD-MRXNPFEDSA-N	-1	0	375.341	0.739	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCc2nc(=O)o[n-]2)ccc1[N+](=O)[O-]	ZINC000280058008	1193974100	/nfs/dbraw/zinc/97/41/00/1193974100.db2.gz	IEUZEGKAFFKJGL-ZDUSSCGKSA-N	-1	0	389.368	0.543	20	5		GCBDRM
NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000421812201	1194365145	/nfs/dbraw/zinc/36/51/45/1194365145.db2.gz	KFRBHXWVFIAZKM-MGCOHNPYSA-N	-1	0	385.398	0.863	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c1	ZINC000273720435	1194585854	/nfs/dbraw/zinc/58/58/54/1194585854.db2.gz	MIPPLMMQLLCNPY-OLZOCXBDSA-N	-1	0	383.382	0.725	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O	ZINC000422679780	1194688850	/nfs/dbraw/zinc/68/88/50/1194688850.db2.gz	WLXAVQKPSHILCU-QWHCGFSZSA-N	-1	0	392.368	0.360	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000422771911	1194697345	/nfs/dbraw/zinc/69/73/45/1194697345.db2.gz	WGYDPBCGXKZLIA-GOSISDBHSA-N	-1	0	390.396	0.567	20	5		GCBDRM
CN(CCCC(=O)[O-])C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000422761314	1194698731	/nfs/dbraw/zinc/69/87/31/1194698731.db2.gz	LXJRXZIUWRLNPI-UHFFFAOYSA-N	-1	0	378.385	0.567	20	5		GCBDRM
CCOC(=O)Cn1cnc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1	ZINC000424226306	1194806015	/nfs/dbraw/zinc/80/60/15/1194806015.db2.gz	XIKGXXDRKWOYPX-UHFFFAOYSA-N	-1	0	383.386	0.734	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCS1(=O)=O	ZINC000424250497	1194806850	/nfs/dbraw/zinc/80/68/50/1194806850.db2.gz	UOXHONSTBDOKIH-CYBMUJFWSA-N	-1	0	394.365	0.104	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424270652	1194807893	/nfs/dbraw/zinc/80/78/93/1194807893.db2.gz	XXVQVXOMOWIKCN-JTQLQIEISA-N	-1	0	396.299	0.937	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC000424393933	1194810019	/nfs/dbraw/zinc/81/00/19/1194810019.db2.gz	SGDQAKJRXUVLKO-SECBINFHSA-N	-1	0	397.369	0.166	20	5		GCBDRM
CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424386486	1194810220	/nfs/dbraw/zinc/81/02/20/1194810220.db2.gz	HMQVDNOKAUCEDV-GFCCVEGCSA-N	-1	0	387.370	0.709	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](n3ccnn3)C2)c1	ZINC000424604690	1194825655	/nfs/dbraw/zinc/82/56/55/1194825655.db2.gz	VLYGZNIJUPWLKY-NSHDSACASA-N	-1	0	381.370	0.910	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)c1	ZINC000424593808	1194826253	/nfs/dbraw/zinc/82/62/53/1194826253.db2.gz	DRSSDPGJSKGFMN-LLVKDONJSA-N	-1	0	381.370	0.910	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1	ZINC000515203267	1194956885	/nfs/dbraw/zinc/95/68/85/1194956885.db2.gz	IMCGGEFECHYRDP-ZFWWWQNUSA-N	-1	0	380.378	0.930	20	5		GCBDRM
O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000515575666	1194985486	/nfs/dbraw/zinc/98/54/86/1194985486.db2.gz	YKKPVIGAULNZLW-UHFFFAOYSA-N	-1	0	398.375	0.802	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@H]21	ZINC000505828822	1195009308	/nfs/dbraw/zinc/00/93/08/1195009308.db2.gz	YGDFHKIUYZGNSJ-KGLIPLIRSA-N	-1	0	399.425	0.695	20	5		GCBDRM
O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436600691	1195017854	/nfs/dbraw/zinc/01/78/54/1195017854.db2.gz	ATDROQOPSXVCMM-UHFFFAOYSA-N	-1	0	380.378	0.996	20	5		GCBDRM
COc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1S(N)(=O)=O	ZINC000436618423	1195018155	/nfs/dbraw/zinc/01/81/55/1195018155.db2.gz	LHZXQWIOVATUES-UHFFFAOYSA-N	-1	0	395.393	0.929	20	5		GCBDRM
C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000436781345	1195036450	/nfs/dbraw/zinc/03/64/50/1195036450.db2.gz	CDIPKHJCCOJIHV-CYBMUJFWSA-N	-1	0	392.412	0.306	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436920015	1195047890	/nfs/dbraw/zinc/04/78/90/1195047890.db2.gz	FMLKNYSCJMOGJH-GFCCVEGCSA-N	-1	0	386.430	0.691	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc(C)nc(N3CCOCC3)n2)c([N+](=O)[O-])n1	ZINC000438225547	1195195008	/nfs/dbraw/zinc/19/50/08/1195195008.db2.gz	AVSIHFNVAGEOOG-UHFFFAOYSA-N	-1	0	397.417	0.547	20	5		GCBDRM
CCc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])nc2n1	ZINC000517939636	1195230461	/nfs/dbraw/zinc/23/04/61/1195230461.db2.gz	JZYDHOVQWZSJPP-UHFFFAOYSA-N	-1	0	394.369	0.698	20	5		GCBDRM
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000440020128	1195375015	/nfs/dbraw/zinc/37/50/15/1195375015.db2.gz	QGZCDXQPOLCODJ-UHFFFAOYSA-N	-1	0	399.351	0.514	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000507351557	1195512924	/nfs/dbraw/zinc/51/29/24/1195512924.db2.gz	DUGQVCVEYGDHPU-ZIAGYGMSSA-N	-1	0	397.409	0.539	20	5		GCBDRM
COCCOC[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000519602085	1195514313	/nfs/dbraw/zinc/51/43/13/1195514313.db2.gz	IJTGERCEUQHXFT-NSHDSACASA-N	-1	0	388.398	0.967	20	5		GCBDRM
CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000507370548	1195514708	/nfs/dbraw/zinc/51/47/08/1195514708.db2.gz	JERPNMTVJOHIBU-WDEREUQCSA-N	-1	0	385.398	0.637	20	5		GCBDRM
COC(=O)[C@H](C)NC(=O)c1ccc(NCCCc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000427384962	1195533853	/nfs/dbraw/zinc/53/38/53/1195533853.db2.gz	QQWMLBVHEKPPEK-VIFPVBQESA-N	-1	0	392.372	0.755	20	5		GCBDRM
NC(=O)c1ccc(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1	ZINC000441529843	1195779050	/nfs/dbraw/zinc/77/90/50/1195779050.db2.gz	NYEOPMZWJDQETL-UHFFFAOYSA-N	-1	0	394.365	0.338	20	5		GCBDRM
COc1ccc(NC(=O)CN2CCC(c3nc(=O)[nH][nH]3)CC2)c([N+](=O)[O-])c1	ZINC000281110803	1196277729	/nfs/dbraw/zinc/27/77/29/1196277729.db2.gz	WUGXKZUZQAFMCZ-UHFFFAOYSA-N	-1	0	376.373	0.833	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000281311625	1196287873	/nfs/dbraw/zinc/28/78/73/1196287873.db2.gz	OJBIPFVBAWHJHE-HAQNSBGRSA-N	-1	0	399.425	0.880	20	5		GCBDRM
COCC[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)[O-]	ZINC000281652726	1196318286	/nfs/dbraw/zinc/31/82/86/1196318286.db2.gz	IUJQVKMTHRKINQ-NSHDSACASA-N	-1	0	390.352	0.669	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc(-c3nncn3C)ccn2)c([N+](=O)[O-])n1	ZINC000536500925	1196341705	/nfs/dbraw/zinc/34/17/05/1196341705.db2.gz	CKCJSKHQCJGKMX-UHFFFAOYSA-N	-1	0	378.374	0.803	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)c([N+](=O)[O-])c1	ZINC000523043699	1196431133	/nfs/dbraw/zinc/43/11/33/1196431133.db2.gz	KZAFMWGWTJIDDG-UHFFFAOYSA-N	-1	0	380.382	0.923	20	5		GCBDRM
CN(C)C(=O)O[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1	ZINC000840894968	1196465787	/nfs/dbraw/zinc/46/57/87/1196465787.db2.gz	ZAUKIQJTUMQMBE-SNVBAGLBSA-N	-1	0	387.370	0.754	20	5		GCBDRM
CN(C)C(=O)COc1cccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1	ZINC000525700171	1196701464	/nfs/dbraw/zinc/70/14/64/1196701464.db2.gz	OPKDKLFYBJHOTM-UHFFFAOYSA-N	-1	0	394.409	0.935	20	5		GCBDRM
COc1c(C)cnc(Cn2cnc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)c1C	ZINC000447704910	1196742612	/nfs/dbraw/zinc/74/26/12/1196742612.db2.gz	UKVUEKANYNODEP-UHFFFAOYSA-N	-1	0	386.372	1.241	20	5		GCBDRM
CC1(Cn2cc(C(=O)[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)nn2)COC1	ZINC000760184653	1197203794	/nfs/dbraw/zinc/20/37/94/1197203794.db2.gz	ZPXRUGKRLJWUJL-UHFFFAOYSA-N	-1	0	395.397	0.483	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1	ZINC000760196287	1197209457	/nfs/dbraw/zinc/20/94/57/1197209457.db2.gz	NTDCOWIKXWXNEH-UHFFFAOYSA-N	-1	0	395.397	0.650	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000263376134	1197262933	/nfs/dbraw/zinc/26/29/33/1197262933.db2.gz	WPIDNAMNEJIDJI-MNOVXSKESA-N	-1	0	385.398	0.442	20	5		GCBDRM
CC1(Cn2cc(C(=O)[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nn2)COC1	ZINC000760256254	1197280572	/nfs/dbraw/zinc/28/05/72/1197280572.db2.gz	PBIJYBMONBCMTQ-UHFFFAOYSA-N	-1	0	399.360	0.481	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c([N+](=O)[O-])n1	ZINC000536993169	1197587834	/nfs/dbraw/zinc/58/78/34/1197587834.db2.gz	KQOQISJOTSSEJZ-UHFFFAOYSA-N	-1	0	382.337	0.727	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c1	ZINC000273702534	1199062109	/nfs/dbraw/zinc/06/21/09/1199062109.db2.gz	JZJFCWQXIGQFKK-ZDUSSCGKSA-N	-1	0	383.382	0.725	20	5		GCBDRM
COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1	ZINC000265894141	1199882164	/nfs/dbraw/zinc/88/21/64/1199882164.db2.gz	AOQXEMAVDTYTGU-UHFFFAOYSA-N	-1	0	397.413	0.663	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1	ZINC000567113760	1200749255	/nfs/dbraw/zinc/74/92/55/1200749255.db2.gz	PPIVINPZNWIHFQ-JQWIXIFHSA-N	-1	0	386.430	1.516	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])n1	ZINC000611107750	1201216619	/nfs/dbraw/zinc/21/66/19/1201216619.db2.gz	ICEGDSFLXVRKPL-MRVPVSSYSA-N	-1	0	399.351	0.643	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000730658952	1201460184	/nfs/dbraw/zinc/46/01/84/1201460184.db2.gz	PROIBYQXYMLNQG-UHFFFAOYSA-N	-1	0	397.307	0.773	20	5		GCBDRM
Cn1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000732089099	1201520266	/nfs/dbraw/zinc/52/02/66/1201520266.db2.gz	BIEGUEZQHJBESK-CYBMUJFWSA-N	-1	0	384.356	0.722	20	5		GCBDRM
COCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000732523213	1201547681	/nfs/dbraw/zinc/54/76/81/1201547681.db2.gz	NTERYQIXMQHJAU-CQSZACIVSA-N	-1	0	399.425	0.600	20	5		GCBDRM
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1	ZINC000732617517	1201550177	/nfs/dbraw/zinc/55/01/77/1201550177.db2.gz	KNFNAFCIZAXAQJ-UHFFFAOYSA-N	-1	0	399.362	0.603	20	5		GCBDRM
O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000733687160	1201603237	/nfs/dbraw/zinc/60/32/37/1201603237.db2.gz	WRKMDVMLLKVSMH-JTQLQIEISA-N	-1	0	389.342	0.504	20	5		GCBDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000733862250	1201610549	/nfs/dbraw/zinc/61/05/49/1201610549.db2.gz	JTIFLTZTVRTNFI-UHFFFAOYSA-N	-1	0	392.393	0.923	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000734089628	1201642482	/nfs/dbraw/zinc/64/24/82/1201642482.db2.gz	VCSIBKDHONBNNP-UHFFFAOYSA-N	-1	0	388.354	0.379	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000734091385	1201642852	/nfs/dbraw/zinc/64/28/52/1201642852.db2.gz	WLNAPOBTGROUJO-UHFFFAOYSA-N	-1	0	396.381	0.793	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)COc2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-]	ZINC000734735251	1201662514	/nfs/dbraw/zinc/66/25/14/1201662514.db2.gz	AYCUZMPGNGGUAX-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000734965773	1201666715	/nfs/dbraw/zinc/66/67/15/1201666715.db2.gz	VUZCFMCGWXGWQW-UHFFFAOYSA-N	-1	0	392.393	0.945	20	5		GCBDRM
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccccn1	ZINC000734963873	1201666839	/nfs/dbraw/zinc/66/68/39/1201666839.db2.gz	IDLVYQPIEHABAO-UHFFFAOYSA-N	-1	0	393.381	0.294	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc([N+](=O)[O-])cc1	ZINC000735403367	1201687956	/nfs/dbraw/zinc/68/79/56/1201687956.db2.gz	GWLXXTFLSAMMJP-UHFFFAOYSA-N	-1	0	375.362	0.999	20	5		GCBDRM
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)Cc1cccnc1	ZINC000766909305	1201960787	/nfs/dbraw/zinc/96/07/87/1201960787.db2.gz	IIGYAGOSBLXHIX-UHFFFAOYSA-N	-1	0	392.393	0.756	20	5		GCBDRM
CC1CCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2[N+](=O)[O-])CC1	ZINC000766921707	1201961197	/nfs/dbraw/zinc/96/11/97/1201961197.db2.gz	BJCFTPVDJYZTPT-UHFFFAOYSA-N	-1	0	384.414	0.376	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000768210924	1202006434	/nfs/dbraw/zinc/00/64/34/1202006434.db2.gz	PMRZTUCJKGUXMO-UHFFFAOYSA-N	-1	0	390.370	0.089	20	5		GCBDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1=O	ZINC000769835013	1202074908	/nfs/dbraw/zinc/07/49/08/1202074908.db2.gz	NQOUMBNTXBUKPX-AWEZNQCLSA-N	-1	0	384.370	0.364	20	5		GCBDRM
O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770772997	1202110878	/nfs/dbraw/zinc/11/08/78/1202110878.db2.gz	NSNLXGQWPYCFJP-UHFFFAOYSA-N	-1	0	389.361	0.178	20	5		GCBDRM
NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1	ZINC000770766778	1202110978	/nfs/dbraw/zinc/11/09/78/1202110978.db2.gz	KUDZQPGHWJLESY-UHFFFAOYSA-N	-1	0	397.340	0.717	20	5		GCBDRM
CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)C1	ZINC000770893123	1202117792	/nfs/dbraw/zinc/11/77/92/1202117792.db2.gz	MHFLWZDFHPTNDM-VIFPVBQESA-N	-1	0	388.402	0.992	20	5		GCBDRM
O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000787902877	1205406284	/nfs/dbraw/zinc/40/62/84/1205406284.db2.gz	SBXPYADYXLKRHR-CHWSQXEVSA-N	-1	0	389.397	0.918	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cnnn1-c1cccc(F)c1	ZINC000789443464	1205440588	/nfs/dbraw/zinc/44/05/88/1205440588.db2.gz	VTWSAVAYPRSCCC-UHFFFAOYSA-N	-1	0	392.328	0.828	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1ccc(OCC(N)=O)cc1	ZINC000789489502	1205441690	/nfs/dbraw/zinc/44/16/90/1205441690.db2.gz	PHGDJELZZWTUHB-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1	ZINC000789478546	1205442045	/nfs/dbraw/zinc/44/20/45/1205442045.db2.gz	IGCAIWHXNLUAIP-UHFFFAOYSA-N	-1	0	376.354	0.389	20	5		GCBDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1[N+](=O)[O-]	ZINC000747104897	1205496835	/nfs/dbraw/zinc/49/68/35/1205496835.db2.gz	RZDQDRBMHHIPKQ-UHFFFAOYSA-N	-1	0	380.382	0.713	20	5		GCBDRM
COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3[nH]nc(C)c3[N+](=O)[O-])C2=O)cc1	ZINC000808146676	1205600461	/nfs/dbraw/zinc/60/04/61/1205600461.db2.gz	BQMGCEDFCPPEQZ-INIZCTEOSA-N	-1	0	388.340	0.747	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2	ZINC000811210570	1205649071	/nfs/dbraw/zinc/64/90/71/1205649071.db2.gz	KTOLCJBZYOXQSG-UHFFFAOYSA-N	-1	0	379.354	0.210	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2	ZINC000811212268	1205649259	/nfs/dbraw/zinc/64/92/59/1205649259.db2.gz	XFZZYGGJLNLRIT-UHFFFAOYSA-N	-1	0	378.366	0.815	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2C[C@H](OC(C)(C)C)C[C@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000811672650	1205654546	/nfs/dbraw/zinc/65/45/46/1205654546.db2.gz	IYTIJTUSKLFRDD-ZJUUUORDSA-N	-1	0	390.418	0.843	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1C	ZINC000813954476	1205682048	/nfs/dbraw/zinc/68/20/48/1205682048.db2.gz	BPYXBGAMHQQAQJ-UHFFFAOYSA-N	-1	0	397.369	0.983	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000813949942	1205683464	/nfs/dbraw/zinc/68/34/64/1205683464.db2.gz	QQXVFXUITUAPOB-UHFFFAOYSA-N	-1	0	398.441	0.398	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1C	ZINC000813953659	1205683740	/nfs/dbraw/zinc/68/37/40/1205683740.db2.gz	ZFRDUQUTWDNALS-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000813986858	1205684816	/nfs/dbraw/zinc/68/48/16/1205684816.db2.gz	IRORHRGFFTYNEO-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
Cn1c2ccc(S(=O)(=O)[N-]C(=O)c3ccc([N+](=O)[O-])cc3)cc2n(C)c1=O	ZINC000774920568	1205928408	/nfs/dbraw/zinc/92/84/08/1205928408.db2.gz	QFGQTQOGAAYECO-UHFFFAOYSA-N	-1	0	390.377	0.904	20	5		GCBDRM
O=C(OCc1n[nH]c(=O)[n-]1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000774950540	1205930186	/nfs/dbraw/zinc/93/01/86/1205930186.db2.gz	ULJIKDVFNFQZEZ-LLVKDONJSA-N	-1	0	397.369	0.315	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCCOC1	ZINC000262856747	939079852	/nfs/dbraw/zinc/07/98/52/939079852.db2.gz	SXKCNXRFONTJNS-SMDDNHRTSA-N	-1	0	375.341	0.785	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1	ZINC000262913021	939085512	/nfs/dbraw/zinc/08/55/12/939085512.db2.gz	YREDSBHDMLCHKI-QFYYESIMSA-N	-1	0	393.352	0.316	20	5		GCBDRM
Cc1cc(=O)c(C(=O)N[C@@]2(C(=O)[O-])CCOC2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000271887465	939116063	/nfs/dbraw/zinc/11/60/63/939116063.db2.gz	FTHYFVHNOBELGC-KRWDZBQOSA-N	-1	0	388.336	0.423	20	5		GCBDRM
O=C([O-])C1(NC(=O)NCCc2ccccc2[N+](=O)[O-])CCS(=O)(=O)CC1	ZINC000581704403	939779624	/nfs/dbraw/zinc/77/96/24/939779624.db2.gz	FGSVZPZUBOXCHC-UHFFFAOYSA-N	-1	0	385.398	0.469	20	5		GCBDRM
CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000592423784	939801171	/nfs/dbraw/zinc/80/11/71/939801171.db2.gz	GTOHZIHSBCHKPU-CYBMUJFWSA-N	-1	0	391.340	0.608	20	5		GCBDRM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000592469526	939801492	/nfs/dbraw/zinc/80/14/92/939801492.db2.gz	SXUPFEXYEMGGRV-ZANVPECISA-N	-1	0	375.341	0.389	20	5		GCBDRM
O=C([O-])[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1	ZINC000595987736	939802717	/nfs/dbraw/zinc/80/27/17/939802717.db2.gz	BZNOQIBLNGVFHS-AWEZNQCLSA-N	-1	0	399.425	0.880	20	5		GCBDRM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000597161766	939803119	/nfs/dbraw/zinc/80/31/19/939803119.db2.gz	OHMXOGUXAZLRTE-HZMBPMFUSA-N	-1	0	379.369	0.709	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600872091	939803829	/nfs/dbraw/zinc/80/38/29/939803829.db2.gz	CMIGDWYCLSDQJQ-HNNXBMFYSA-N	-1	0	387.414	0.682	20	5		GCBDRM
C[C@](NC(=O)C1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600877157	939806029	/nfs/dbraw/zinc/80/60/29/939806029.db2.gz	RYVSBGFWXUDBJO-MRXNPFEDSA-N	-1	0	399.425	0.682	20	5		GCBDRM
O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000823131247	946323951	/nfs/dbraw/zinc/32/39/51/946323951.db2.gz	DKXKPSQEKQHVHN-UHFFFAOYSA-N	-1	0	381.316	0.395	20	5		GCBDRM
O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1[N-]c1ccn(CCN2CCOCC2)n1	ZINC000823629845	946457438	/nfs/dbraw/zinc/45/74/38/946457438.db2.gz	JKOADBYCQCKIIP-UHFFFAOYSA-N	-1	0	386.376	0.442	20	5		GCBDRM
O=[N+]([O-])c1ccc(-n2cnnc2-c2nnn[n-]2)c(S(=O)(=O)N2CCCC2)c1	ZINC000823635255	946460379	/nfs/dbraw/zinc/46/03/79/946460379.db2.gz	UNBQIKCYZWTEEX-UHFFFAOYSA-N	-1	0	391.373	0.140	20	5		GCBDRM
CC(C)[C@@H](O)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000824201009	946618174	/nfs/dbraw/zinc/61/81/74/946618174.db2.gz	WHYPUNAGJKTQFX-CYBMUJFWSA-N	-1	0	396.429	0.850	20	5		GCBDRM
C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-]	ZINC000263118578	950275093	/nfs/dbraw/zinc/27/50/93/950275093.db2.gz	WXJWMUGEFYLKGG-BXUZGUMPSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-]	ZINC000424270322	953448062	/nfs/dbraw/zinc/44/80/62/953448062.db2.gz	XVDUOXIMWJJGPM-ABAIWWIYSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001589298254	953666764	/nfs/dbraw/zinc/66/67/64/953666764.db2.gz	KQXOBXUNUFKGMY-VHSXEESVSA-N	-1	0	375.337	0.903	20	5		GCBDRM
O=C([O-])C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1	ZINC001594826701	953943509	/nfs/dbraw/zinc/94/35/09/953943509.db2.gz	JZAGXJZBTRYKPB-UHFFFAOYSA-N	-1	0	375.259	0.983	20	5		GCBDRM
CN(CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001593718894	954237941	/nfs/dbraw/zinc/23/79/41/954237941.db2.gz	BKNGQTPBBSEMKP-MNOVXSKESA-N	-1	0	385.398	0.585	20	5		GCBDRM
COC(=O)C1CC2(C1)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H]2C(=O)[O-]	ZINC001593826713	955108915	/nfs/dbraw/zinc/10/89/15/955108915.db2.gz	VTHIJQIQWBXXRP-NOEPWBJOSA-N	-1	0	398.393	0.869	20	5		GCBDRM
CC(C)(NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000737596036	955221744	/nfs/dbraw/zinc/22/17/44/955221744.db2.gz	FMQHSJZWSZCLET-LLVKDONJSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H](CC(=O)[O-])Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC001589007800	955374690	/nfs/dbraw/zinc/37/46/90/955374690.db2.gz	IDYUMVUBOPJHHJ-LLVKDONJSA-N	-1	0	386.430	0.806	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)n1	ZINC001594548773	955702878	/nfs/dbraw/zinc/70/28/78/955702878.db2.gz	SKKZQTLZHFIHFP-SMDDNHRTSA-N	-1	0	387.352	0.485	20	5		GCBDRM
CC(C)Oc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001603080530	972152826	/nfs/dbraw/zinc/15/28/26/972152826.db2.gz	UNKXNJHSYCKSCW-GFCCVEGCSA-N	-1	0	386.382	0.706	20	5		GCBDRM
Cc1nn(C)c(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-]	ZINC001261530322	957258501	/nfs/dbraw/zinc/25/85/01/957258501.db2.gz	BCCUUKSXSUOUNV-JTQLQIEISA-N	-1	0	379.373	0.174	20	5		GCBDRM
Cc1nn(C)c(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-]	ZINC001261530323	957258773	/nfs/dbraw/zinc/25/87/73/957258773.db2.gz	BCCUUKSXSUOUNV-SNVBAGLBSA-N	-1	0	379.373	0.174	20	5		GCBDRM
COc1cc(OCC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)ccc1[N+](=O)[O-]	ZINC001594067492	958148769	/nfs/dbraw/zinc/14/87/69/958148769.db2.gz	FTTSSNSVDKNKQT-LBPRGKRZSA-N	-1	0	395.368	0.564	20	5		GCBDRM
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001573366019	958625420	/nfs/dbraw/zinc/62/54/20/958625420.db2.gz	ZAPQELPBXYZFJZ-VIFPVBQESA-N	-1	0	384.776	0.804	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(C(=O)[O-])C1	ZINC001594184547	959108411	/nfs/dbraw/zinc/10/84/11/959108411.db2.gz	UPTGVAFSEPZFBV-CYBMUJFWSA-N	-1	0	381.410	0.989	20	5		GCBDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC001594223882	959404853	/nfs/dbraw/zinc/40/48/53/959404853.db2.gz	UECABFASXKATOV-BZNIZROVSA-N	-1	0	397.409	0.539	20	5		GCBDRM
O=C([O-])[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000236496373	960689184	/nfs/dbraw/zinc/68/91/84/960689184.db2.gz	SDIWPTMJWSLGTK-MRVPVSSYSA-N	-1	0	380.094	0.375	20	5		GCBDRM
O=C([O-])[C@]1(N2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)CCOC1	ZINC001331882799	961399835	/nfs/dbraw/zinc/39/98/35/961399835.db2.gz	FFOCNTUMQUXBEM-SFHVURJKSA-N	-1	0	392.412	0.785	20	5		GCBDRM
O=C([O-])CC1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000262486020	961746681	/nfs/dbraw/zinc/74/66/81/961746681.db2.gz	VIQTVFZLCKDKBC-UHFFFAOYSA-N	-1	0	399.425	0.977	20	5		GCBDRM
CCS(=O)(=O)N1CCC(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000262645413	961793980	/nfs/dbraw/zinc/79/39/80/961793980.db2.gz	IYFYXKSUSPKKML-UHFFFAOYSA-N	-1	0	385.398	0.837	20	5		GCBDRM
C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262887624	961961624	/nfs/dbraw/zinc/96/16/24/961961624.db2.gz	MYOGBICPPHGNAQ-VXGBXAGGSA-N	-1	0	399.425	0.927	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001348423063	962437692	/nfs/dbraw/zinc/43/76/92/962437692.db2.gz	NTVLDONPRVWDCE-MRXNPFEDSA-N	-1	0	399.425	0.453	20	5		GCBDRM
O=C([O-])[C@]1(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCOC1	ZINC001348423412	962439410	/nfs/dbraw/zinc/43/94/10/962439410.db2.gz	QOCJBFXCTPIFLC-HNNXBMFYSA-N	-1	0	385.398	0.145	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1	ZINC001574661681	962495653	/nfs/dbraw/zinc/49/56/53/962495653.db2.gz	RKLNMOZNOMDTGR-GFCCVEGCSA-N	-1	0	377.309	0.174	20	5		GCBDRM
O=C([O-])CC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000263413215	962580845	/nfs/dbraw/zinc/58/08/45/962580845.db2.gz	JJBIMVCTVHZDAR-GFCCVEGCSA-N	-1	0	399.425	0.977	20	5		GCBDRM
O=C([O-])CCCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000743350844	969155317	/nfs/dbraw/zinc/15/53/17/969155317.db2.gz	GHRVMAXPBHIZRV-UHFFFAOYSA-N	-1	0	385.398	0.683	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(C2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)C1	ZINC001329602087	969713417	/nfs/dbraw/zinc/71/34/17/969713417.db2.gz	ABGYDELZNDDEAG-GFCCVEGCSA-N	-1	0	390.396	0.931	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC001604525689	973475388	/nfs/dbraw/zinc/47/53/88/973475388.db2.gz	AXFXMUOVQAPGLT-DIFFPNOSSA-N	-1	0	395.368	0.742	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1	ZINC001604565221	973630618	/nfs/dbraw/zinc/63/06/18/973630618.db2.gz	RTGRFYYJEQLOIR-ZDUSSCGKSA-N	-1	0	378.334	0.225	20	5		GCBDRM
O=C([O-])COCCOCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC001606284737	973671357	/nfs/dbraw/zinc/67/13/57/973671357.db2.gz	JIARQUUHMLBHSZ-UHFFFAOYSA-N	-1	0	396.400	0.544	20	5		GCBDRM
O=C([O-])C1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000422926674	974018438	/nfs/dbraw/zinc/01/84/38/974018438.db2.gz	XHTGKKCHPJZHHE-UHFFFAOYSA-N	-1	0	377.353	0.508	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1	ZINC000565949236	974591871	/nfs/dbraw/zinc/59/18/71/974591871.db2.gz	MZIKUMABVNVCLI-BONVTDFDSA-N	-1	0	386.382	0.909	20	5		GCBDRM
COCCOC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1	ZINC000567730490	974639921	/nfs/dbraw/zinc/63/99/21/974639921.db2.gz	DPXPOYQIRTYSHT-LLVKDONJSA-N	-1	0	388.398	0.967	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1	ZINC000574036645	974775783	/nfs/dbraw/zinc/77/57/83/974775783.db2.gz	YEQNEPYOYKMHAK-ZUZCIYMTSA-N	-1	0	386.382	0.862	20	5		GCBDRM
Cc1nn(CCC(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)c(C)c1[N+](=O)[O-]	ZINC000574770647	974788717	/nfs/dbraw/zinc/78/87/17/974788717.db2.gz	JKGKSLWCVVSXSV-UHFFFAOYSA-N	-1	0	391.388	0.952	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1	ZINC000591459118	974970824	/nfs/dbraw/zinc/97/08/24/974970824.db2.gz	LMJDHCOQXFLGTL-LBPRGKRZSA-N	-1	0	385.760	0.219	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000591654407	974971668	/nfs/dbraw/zinc/97/16/68/974971668.db2.gz	CBDHRYYINAAUID-MRXNPFEDSA-N	-1	0	381.341	0.828	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000591652534	974971882	/nfs/dbraw/zinc/97/18/82/974971882.db2.gz	KFZGCTPNRGBIJH-QGZVFWFLSA-N	-1	0	379.369	0.807	20	5		GCBDRM
O=C([O-])[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)CC1CC1	ZINC000593699384	974983241	/nfs/dbraw/zinc/98/32/41/974983241.db2.gz	FLYVTCKMBKXCMN-LLVKDONJSA-N	-1	0	377.353	0.937	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H]1C1CC1	ZINC000593703914	974984563	/nfs/dbraw/zinc/98/45/63/974984563.db2.gz	RETFFPDLVZWJTH-QWHCGFSZSA-N	-1	0	389.364	0.889	20	5		GCBDRM
CO[C@H]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C(=O)[O-])C1	ZINC000595246524	974993690	/nfs/dbraw/zinc/99/36/90/974993690.db2.gz	JUYBASKFOJPKAQ-GXTWGEPZSA-N	-1	0	379.369	0.724	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600661694	975004689	/nfs/dbraw/zinc/00/46/89/975004689.db2.gz	YALGEKQYESHNKT-RMLUDKJBSA-N	-1	0	392.361	0.995	20	5		GCBDRM
CO[C@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@](C)(C(=O)[O-])C1	ZINC000600874308	975010311	/nfs/dbraw/zinc/01/03/11/975010311.db2.gz	OMDYJZPRGULCCN-SJKOYZFVSA-N	-1	0	379.369	0.724	20	5		GCBDRM
COc1cc(OCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)ccc1[N+](=O)[O-]	ZINC000780319111	978789416	/nfs/dbraw/zinc/78/94/16/978789416.db2.gz	MCCNAJFSALHMOI-UHFFFAOYSA-N	-1	0	377.313	0.355	20	5		GCBDRM
COc1cc(C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])cc1OC	ZINC000818320010	978917239	/nfs/dbraw/zinc/91/72/39/978917239.db2.gz	NRHPHTQDMPMCDZ-SECBINFHSA-N	-1	0	391.340	0.989	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C(=O)[O-])C1	ZINC000833709456	979226354	/nfs/dbraw/zinc/22/63/54/979226354.db2.gz	MFJRPFIYXJPWEW-HZMBPMFUSA-N	-1	0	390.352	0.809	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C(=O)[O-])C1	ZINC000833709457	979226585	/nfs/dbraw/zinc/22/65/85/979226585.db2.gz	MFJRPFIYXJPWEW-IINYFYTJSA-N	-1	0	390.352	0.809	20	5		GCBDRM
CS(=O)(=O)N1CCN(CCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844207175	979355778	/nfs/dbraw/zinc/35/57/78/979355778.db2.gz	BKHRJYRBBDMHEZ-HWKANZROSA-N	-1	0	398.441	0.682	20	5		GCBDRM
CC[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001595131085	979547620	/nfs/dbraw/zinc/54/76/20/979547620.db2.gz	JMQMBHTXUSVVBL-LLVKDONJSA-N	-1	0	387.414	0.682	20	5		GCBDRM
CC[C@@H](C)[C@H](NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)[O-]	ZINC001594894675	982326139	/nfs/dbraw/zinc/32/61/39/982326139.db2.gz	XCXWNALVJZXXGR-WBMJQRKESA-N	-1	0	379.417	0.727	20	5		GCBDRM
CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001594989747	982845831	/nfs/dbraw/zinc/84/58/31/982845831.db2.gz	QSPFKVKDFNXHDX-GFCCVEGCSA-N	-1	0	392.412	0.966	20	5		GCBDRM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001596206901	983593661	/nfs/dbraw/zinc/59/36/61/983593661.db2.gz	KOQOTUJHPFJHLD-ZDUSSCGKSA-N	-1	0	399.425	0.418	20	5		GCBDRM
CCN(CC(=O)[O-])C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1	ZINC001596219835	983610948	/nfs/dbraw/zinc/61/09/48/983610948.db2.gz	DOTSSIVEGDCHAW-UHFFFAOYSA-N	-1	0	378.385	0.810	20	5		GCBDRM
CC(=O)NCC(=O)N1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001589123551	985402381	/nfs/dbraw/zinc/40/23/81/985402381.db2.gz	XHFNUHLKHYLMNH-UHFFFAOYSA-N	-1	0	378.385	0.463	20	5		GCBDRM
C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCN1CCC(=O)[O-]	ZINC001594494345	985626150	/nfs/dbraw/zinc/62/61/50/985626150.db2.gz	PHXBRFJJZVOULK-LLVKDONJSA-N	-1	0	399.425	0.619	20	5		GCBDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001596873239	985717175	/nfs/dbraw/zinc/71/71/75/985717175.db2.gz	XNGKBEOSPFVGSF-LLVKDONJSA-N	-1	0	379.325	0.139	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCS(=O)(=O)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001594562052	986327557	/nfs/dbraw/zinc/32/75/57/986327557.db2.gz	NIFIJTFEPCTYHM-WDEREUQCSA-N	-1	0	399.425	0.669	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCS(=O)(=O)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001594562048	986327857	/nfs/dbraw/zinc/32/78/57/986327857.db2.gz	NIFIJTFEPCTYHM-GHMZBOCLSA-N	-1	0	399.425	0.669	20	5		GCBDRM
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C(=O)[O-])O1	ZINC001599854050	989060560	/nfs/dbraw/zinc/06/05/60/989060560.db2.gz	JYNHIZJNKIZDDO-SCVCMEIPSA-N	-1	0	381.341	0.493	20	5		GCBDRM
C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C(=O)[O-])O1	ZINC001599865067	989234635	/nfs/dbraw/zinc/23/46/35/989234635.db2.gz	JDNGQSVVGLIPIE-CJNGLKHVSA-N	-1	0	392.412	0.417	20	5		GCBDRM
CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](O)C(=O)[O-]	ZINC001590880007	990796869	/nfs/dbraw/zinc/79/68/69/990796869.db2.gz	ZTFBYALXIXYLBA-VIFPVBQESA-N	-1	0	397.203	0.860	20	5		GCBDRM
CN(CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC001598386537	991608348	/nfs/dbraw/zinc/60/83/48/991608348.db2.gz	AHAQFQSAXOCJIC-BBRMVZONSA-N	-1	0	399.425	0.130	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])c1	ZINC001599766936	992193859	/nfs/dbraw/zinc/19/38/59/992193859.db2.gz	DXDYSZQMJNSFNA-UHFFFAOYSA-N	-1	0	386.382	0.704	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001598494395	992343411	/nfs/dbraw/zinc/34/34/11/992343411.db2.gz	UCBGNLRTMMXCKP-UHFFFAOYSA-N	-1	0	397.409	0.586	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-]	ZINC001591457764	992564840	/nfs/dbraw/zinc/56/48/40/992564840.db2.gz	SELJVKTUUSBVKE-LBPRGKRZSA-N	-1	0	385.348	0.844	20	5		GCBDRM
CN(Cc1ncnn1CC(F)F)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC001598539274	992880923	/nfs/dbraw/zinc/88/09/23/992880923.db2.gz	BBZFUEZTOTVJHW-UHFFFAOYSA-N	-1	0	398.326	0.902	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1=O	ZINC001598563661	993116821	/nfs/dbraw/zinc/11/68/21/993116821.db2.gz	VBZZGIRKRIAIJQ-JTQLQIEISA-N	-1	0	386.158	0.725	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC001598564688	993128950	/nfs/dbraw/zinc/12/89/50/993128950.db2.gz	JXOWZDSQAQVPJZ-NSHDSACASA-N	-1	0	385.760	0.771	20	5		GCBDRM
CN([C@@H]1CCCCN(C)C1=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001598599017	993548935	/nfs/dbraw/zinc/54/89/35/993548935.db2.gz	PTCGHXSQGVSTIU-GFCCVEGCSA-N	-1	0	385.398	0.924	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001598752487	995672403	/nfs/dbraw/zinc/67/24/03/995672403.db2.gz	SDNLUZVGUWTXNW-OBJOEFQTSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001598752482	995672525	/nfs/dbraw/zinc/67/25/25/995672525.db2.gz	SDNLUZVGUWTXNW-BZPMIXESSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC001598757067	995732874	/nfs/dbraw/zinc/73/28/74/995732874.db2.gz	QCVGHLOSOAHKNU-PSASIEDQSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC001598765301	995824272	/nfs/dbraw/zinc/82/42/72/995824272.db2.gz	BADNOVSMPPDJMZ-WFASDCNBSA-N	-1	0	391.380	0.822	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC001598769357	995869062	/nfs/dbraw/zinc/86/90/62/995869062.db2.gz	UCZPEVAQCRQQJO-NEPJUHHUSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC001598780309	995977019	/nfs/dbraw/zinc/97/70/19/995977019.db2.gz	JJULZSZWCRUTIW-JQWIXIFHSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C(=O)[O-])C1	ZINC001598795832	996110019	/nfs/dbraw/zinc/11/00/19/996110019.db2.gz	ZUGWRDWULHXRFD-NWDGAFQWSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC001598809407	996217389	/nfs/dbraw/zinc/21/73/89/996217389.db2.gz	QFTHBQPPFKISGN-QWHCGFSZSA-N	-1	0	381.341	0.489	20	5		GCBDRM
COC(=O)[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC001598822589	996345881	/nfs/dbraw/zinc/34/58/81/996345881.db2.gz	RFYZIPVESKRDKW-UWVGGRQHSA-N	-1	0	385.760	0.992	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C(=O)[O-]	ZINC001598824928	996371752	/nfs/dbraw/zinc/37/17/52/996371752.db2.gz	ITTFBJCSDAHWGA-WDEREUQCSA-N	-1	0	386.382	0.706	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1	ZINC001593765966	996444506	/nfs/dbraw/zinc/44/45/06/996444506.db2.gz	BUHNCUMMUOOZAX-QGZVFWFLSA-N	-1	0	375.337	0.904	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C	ZINC001598862679	996687422	/nfs/dbraw/zinc/68/74/22/996687422.db2.gz	MPAGKFCDAYXUOZ-UHFFFAOYSA-N	-1	0	380.762	0.805	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC001599401117	997215900	/nfs/dbraw/zinc/21/59/00/997215900.db2.gz	XQYNTQBTFFDYEV-DGCLKSJQSA-N	-1	0	396.352	0.885	20	5		GCBDRM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C[C@H]21	ZINC001599324796	997644889	/nfs/dbraw/zinc/64/48/89/997644889.db2.gz	XFTHTVSDKPYHKM-XQQFMLRXSA-N	-1	0	384.366	0.177	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1	ZINC001599120450	997728651	/nfs/dbraw/zinc/72/86/51/997728651.db2.gz	AHQRTAAVGAAWSY-PWSUYJOCSA-N	-1	0	386.382	0.703	20	5		GCBDRM
CO[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1	ZINC001599120447	997729128	/nfs/dbraw/zinc/72/91/28/997729128.db2.gz	AHQRTAAVGAAWSY-JQWIXIFHSA-N	-1	0	386.382	0.703	20	5		GCBDRM
COc1cc(OCC(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)ccc1[N+](=O)[O-]	ZINC001599455749	998184912	/nfs/dbraw/zinc/18/49/12/998184912.db2.gz	JBNJDXFNXQJLJS-UHFFFAOYSA-N	-1	0	376.325	0.988	20	5		GCBDRM
COc1ccc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC001599562647	998228847	/nfs/dbraw/zinc/22/88/47/998228847.db2.gz	ONWHSHIPYSVJNJ-UHFFFAOYSA-N	-1	0	379.369	0.979	20	5		GCBDRM
C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001594177100	998684872	/nfs/dbraw/zinc/68/48/72/998684872.db2.gz	ROOYUUGIASQMBM-KXUCPTDWSA-N	-1	0	385.398	0.921	20	5		GCBDRM
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001598988039	998712023	/nfs/dbraw/zinc/71/20/23/998712023.db2.gz	NINAQRVQIXYRIQ-XVKPBYJWSA-N	-1	0	376.318	0.567	20	5		GCBDRM
COC(CN(CCC(=O)[O-])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])OC	ZINC001599047354	999159830	/nfs/dbraw/zinc/15/98/30/999159830.db2.gz	CDHOQCYXOIADBC-UHFFFAOYSA-N	-1	0	380.350	0.818	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](C(=O)[O-])C1	ZINC001594400729	999499476	/nfs/dbraw/zinc/49/94/76/999499476.db2.gz	KONYRANTQZYKRG-BXKDBHETSA-N	-1	0	375.337	0.903	20	5		GCBDRM
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000437339790	530123940	/nfs/dbraw/zinc/12/39/40/530123940.db2.gz	JQYILHWWJJDJHZ-UHFFFAOYSA-N	-1	0	388.793	0.729	20	5		GCBDRM
COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000599475769	530163626	/nfs/dbraw/zinc/16/36/26/530163626.db2.gz	FERRZUKXROQYNW-UHFFFAOYSA-N	-1	0	377.350	0.082	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)c([N+](=O)[O-])n1	ZINC000535988887	530171580	/nfs/dbraw/zinc/17/15/80/530171580.db2.gz	LRACJLFZVONTKJ-UHFFFAOYSA-N	-1	0	393.378	0.399	20	5		GCBDRM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000600766026	530242590	/nfs/dbraw/zinc/24/25/90/530242590.db2.gz	HFTCXWXHBZYECW-MWLCHTKSSA-N	-1	0	392.459	0.758	20	5		GCBDRM
Cn1ncc2c1nc(Cn1cc(Br)cc([N+](=O)[O-])c1=O)[nH]c2=O	ZINC000611240032	530244509	/nfs/dbraw/zinc/24/45/09/530244509.db2.gz	GBPZNTNBUYMWTD-UHFFFAOYSA-N	-1	0	381.146	0.950	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c([N+](=O)[O-])n1	ZINC000435727879	530258234	/nfs/dbraw/zinc/25/82/34/530258234.db2.gz	GVLDXKYYBPHJJQ-UHFFFAOYSA-N	-1	0	375.388	0.259	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c([N+](=O)[O-])n1	ZINC000560078975	530260276	/nfs/dbraw/zinc/26/02/76/530260276.db2.gz	SASZMVGBBYUWFC-SCZZXKLOSA-N	-1	0	378.407	0.746	20	5		GCBDRM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC	ZINC000289541799	530264677	/nfs/dbraw/zinc/26/46/77/530264677.db2.gz	RFARJBQVAZVDFR-MRVPVSSYSA-N	-1	0	398.752	0.770	20	5		GCBDRM
O=C([O-])CN(CCO)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000614378136	530309867	/nfs/dbraw/zinc/30/98/67/530309867.db2.gz	FUVSZOWITGQWFI-UHFFFAOYSA-N	-1	0	383.176	0.425	20	5		GCBDRM
COC[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000614363969	530309939	/nfs/dbraw/zinc/30/99/39/530309939.db2.gz	DDJUTXFXGKSPSJ-ZETCQYMHSA-N	-1	0	383.176	0.735	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O	ZINC000516186309	530310583	/nfs/dbraw/zinc/31/05/83/530310583.db2.gz	GODFCATUEGCVBG-MRVPVSSYSA-N	-1	0	394.427	0.655	20	5		GCBDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000517239004	530315765	/nfs/dbraw/zinc/31/57/65/530315765.db2.gz	LKTREUAJKBDBOV-BDAKNGLRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000570393706	530319297	/nfs/dbraw/zinc/31/92/97/530319297.db2.gz	MCJTYRAOAJGPOP-LLVKDONJSA-N	-1	0	384.288	0.981	20	5		GCBDRM
CSC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000579959083	530322573	/nfs/dbraw/zinc/32/25/73/530322573.db2.gz	FIKOKASDIFTNQM-ZDUSSCGKSA-N	-1	0	378.428	0.994	20	5		GCBDRM
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000582424702	530327432	/nfs/dbraw/zinc/32/74/32/530327432.db2.gz	VMBBXKUAGNVSDM-QMMMGPOBSA-N	-1	0	378.384	0.101	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000584267920	530359913	/nfs/dbraw/zinc/35/99/13/530359913.db2.gz	DXBYUEHEDQDTJT-QVQLBTGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
O=C(NCCN1CCS(=O)(=O)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000584413692	530361401	/nfs/dbraw/zinc/36/14/01/530361401.db2.gz	VZPJTXXSVSFRKN-UHFFFAOYSA-N	-1	0	377.806	0.414	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000582842960	530331764	/nfs/dbraw/zinc/33/17/64/530331764.db2.gz	QHBSGJIBKVEEHP-OIFKANJSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000580081121	530333200	/nfs/dbraw/zinc/33/32/00/530333200.db2.gz	DENWOOXVUJQANS-VIFPVBQESA-N	-1	0	392.411	0.396	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000563718647	530349845	/nfs/dbraw/zinc/34/98/45/530349845.db2.gz	WVNXIDPQLCUWTC-OIFKANJSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
CS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000565661823	530352622	/nfs/dbraw/zinc/35/26/22/530352622.db2.gz	REDSUHHDNNSUKY-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
COCc1nc(=NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s[n-]1	ZINC000436196278	530371923	/nfs/dbraw/zinc/37/19/23/530371923.db2.gz	HNDOSFJJGRUJKR-UHFFFAOYSA-N	-1	0	387.443	0.942	20	5		GCBDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000567796829	530471200	/nfs/dbraw/zinc/47/12/00/530471200.db2.gz	IAYFWRTXRZPOGF-BDAKNGLRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
Cn1cc(S(=O)(=O)NCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1	ZINC000541834507	530481649	/nfs/dbraw/zinc/48/16/49/530481649.db2.gz	KTVIYMAZOBSAEG-UHFFFAOYSA-N	-1	0	389.777	0.604	20	5		GCBDRM
NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000327364344	530506775	/nfs/dbraw/zinc/50/67/75/530506775.db2.gz	JFZUAMLHUFNDCE-UHFFFAOYSA-N	-1	0	387.395	0.426	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1	ZINC000573683080	530525314	/nfs/dbraw/zinc/52/53/14/530525314.db2.gz	RSMDHTUSOFRBEE-BGJPBQGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)S(C)(=O)=O	ZINC000542240607	530527545	/nfs/dbraw/zinc/52/75/45/530527545.db2.gz	MDZMRISOGCENQJ-MRVPVSSYSA-N	-1	0	380.400	0.093	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000574814290	530563623	/nfs/dbraw/zinc/56/36/23/530563623.db2.gz	BYGUGQDGNCLVJM-VIFPVBQESA-N	-1	0	378.384	0.149	20	5		GCBDRM
COC[C@@](C)(O)CCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000414329604	530597571	/nfs/dbraw/zinc/59/75/71/530597571.db2.gz	RAKAVCGYPSZEFB-AWEZNQCLSA-N	-1	0	376.387	0.667	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1	ZINC000546252095	530692883	/nfs/dbraw/zinc/69/28/83/530692883.db2.gz	ZIQKWKFXIVNISD-SNVBAGLBSA-N	-1	0	392.411	0.457	20	5		GCBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC000591562780	530718196	/nfs/dbraw/zinc/71/81/96/530718196.db2.gz	XZZKKTFFRQYCPP-BXKDBHETSA-N	-1	0	388.423	0.786	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000591562623	530718439	/nfs/dbraw/zinc/71/84/39/530718439.db2.gz	NLFQMGQKPVEXEA-NSHDSACASA-N	-1	0	376.774	0.501	20	5		GCBDRM
NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000326643916	530742990	/nfs/dbraw/zinc/74/29/90/530742990.db2.gz	XDYVWCJNIMKCON-UHFFFAOYSA-N	-1	0	387.395	0.890	20	5		GCBDRM
O=C([O-])c1cn([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)nn1	ZINC000592450087	530769493	/nfs/dbraw/zinc/76/94/93/530769493.db2.gz	LLSRRMWUIJDSJU-QMMMGPOBSA-N	-1	0	387.399	0.972	20	5		GCBDRM
Cn1cnc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1	ZINC000092265242	530784587	/nfs/dbraw/zinc/78/45/87/530784587.db2.gz	AQUIRTVSEDMCBQ-UHFFFAOYSA-N	-1	0	376.192	0.964	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NCCC2CS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000593311050	530800270	/nfs/dbraw/zinc/80/02/70/530800270.db2.gz	VVMUEMCCPFWQHZ-UHFFFAOYSA-N	-1	0	378.384	0.006	20	5		GCBDRM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc1	ZINC000462363412	530815528	/nfs/dbraw/zinc/81/55/28/530815528.db2.gz	CQQFHEXOXCZGIT-UHFFFAOYSA-N	-1	0	390.374	0.838	20	5		GCBDRM
O=[N+]([O-])c1ccc(S(=O)(=O)CCNS(=O)(=O)Cc2ccon2)cc1	ZINC000273566415	530816120	/nfs/dbraw/zinc/81/61/20/530816120.db2.gz	ZMUWQRAHVZLHPF-UHFFFAOYSA-N	-1	0	375.384	0.476	20	5		GCBDRM
Cc1noc(C)c1S(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000273559535	530816296	/nfs/dbraw/zinc/81/62/96/530816296.db2.gz	XXALLBSNRGUMRC-UHFFFAOYSA-N	-1	0	389.411	0.952	20	5		GCBDRM
O=[N+]([O-])c1cnc(NC2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)nc1	ZINC000445667921	530819102	/nfs/dbraw/zinc/81/91/02/530819102.db2.gz	IXYUPYZLKSHOFQ-UHFFFAOYSA-N	-1	0	384.340	0.658	20	5		GCBDRM
CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000522005390	530851320	/nfs/dbraw/zinc/85/13/20/530851320.db2.gz	XJPSGIQWOYHHCW-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000275122907	530867294	/nfs/dbraw/zinc/86/72/94/530867294.db2.gz	OGGFRNVFMXFFGV-SECBINFHSA-N	-1	0	398.802	0.121	20	5		GCBDRM
CSCC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000274911014	530905487	/nfs/dbraw/zinc/90/54/87/530905487.db2.gz	KPHFREZRCYBNKT-QMMMGPOBSA-N	-1	0	392.411	0.851	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000275058711	530906625	/nfs/dbraw/zinc/90/66/25/530906625.db2.gz	YOEVQPJAGJAPCW-QMMMGPOBSA-N	-1	0	391.789	0.460	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC000275211770	530906981	/nfs/dbraw/zinc/90/69/81/530906981.db2.gz	ZTXXYLBFRPMNKN-NSHDSACASA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000275141297	530907155	/nfs/dbraw/zinc/90/71/55/530907155.db2.gz	QFSYOAHFPXCBMN-LLVKDONJSA-N	-1	0	392.411	0.166	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000275185492	530907348	/nfs/dbraw/zinc/90/73/48/530907348.db2.gz	XCDGJSKDNHIXOJ-JTQLQIEISA-N	-1	0	395.187	0.831	20	5		GCBDRM
COC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-]	ZINC000275244303	530907883	/nfs/dbraw/zinc/90/78/83/530907883.db2.gz	KNYCULLYYXALJL-QMMMGPOBSA-N	-1	0	380.762	0.851	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000275278159	530908106	/nfs/dbraw/zinc/90/81/06/530908106.db2.gz	NWPMONXHXSMXST-VIFPVBQESA-N	-1	0	376.343	0.288	20	5		GCBDRM
Cc1sc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548535979	530880614	/nfs/dbraw/zinc/88/06/14/530880614.db2.gz	BGNNASSCRLYSPG-SECBINFHSA-N	-1	0	379.416	0.028	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594778647	530882074	/nfs/dbraw/zinc/88/20/74/530882074.db2.gz	REFZPFPTZRERRW-WDEREUQCSA-N	-1	0	392.459	0.376	20	5		GCBDRM
O=C([O-])[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1	ZINC000619708987	530882312	/nfs/dbraw/zinc/88/23/12/530882312.db2.gz	LWARIGYRBTZZGE-LLVKDONJSA-N	-1	0	395.187	0.879	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000548837657	530887437	/nfs/dbraw/zinc/88/74/37/530887437.db2.gz	MFLDAAYIWQYVGM-CBAPKCEASA-N	-1	0	395.187	0.566	20	5		GCBDRM
O=[N+]([O-])c1ccc(S(=O)(=O)CCNS(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000443049656	530889174	/nfs/dbraw/zinc/88/91/74/530889174.db2.gz	YDWOMWGKLACOBP-UHFFFAOYSA-N	-1	0	391.349	0.355	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C	ZINC000424367267	530889237	/nfs/dbraw/zinc/88/92/37/530889237.db2.gz	LCHWZHGYAILLIU-LBPRGKRZSA-N	-1	0	392.411	0.084	20	5		GCBDRM
CS(=O)(=O)CCCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000424598819	530890191	/nfs/dbraw/zinc/89/01/91/530890191.db2.gz	MAZOMYMCLJEAFM-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1	ZINC000325582541	530891366	/nfs/dbraw/zinc/89/13/66/530891366.db2.gz	DHJKLCZOQXVJJN-UHFFFAOYSA-N	-1	0	375.750	0.403	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000372471081	530891616	/nfs/dbraw/zinc/89/16/16/530891616.db2.gz	HFAKAETUYUVDDG-VXNVDRBHSA-N	-1	0	384.288	0.822	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000373615100	530893675	/nfs/dbraw/zinc/89/36/75/530893675.db2.gz	GSUCPUQFYMTNLS-MRVPVSSYSA-N	-1	0	378.334	0.607	20	5		GCBDRM
CO[C@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-]	ZINC000530382649	530894712	/nfs/dbraw/zinc/89/47/12/530894712.db2.gz	ZGMKIVWVCYUJBH-QMMMGPOBSA-N	-1	0	376.343	0.134	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000575865804	530929222	/nfs/dbraw/zinc/92/92/22/530929222.db2.gz	UECTYNNFGLSLCG-HKPSDFMSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000575865802	530929240	/nfs/dbraw/zinc/92/92/40/530929240.db2.gz	UECTYNNFGLSLCG-OIFKANJSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
CCOC(=O)Cc1csc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1	ZINC000600664681	530931307	/nfs/dbraw/zinc/93/13/07/530931307.db2.gz	BTGYALZICGZJPM-UHFFFAOYSA-N	-1	0	375.388	0.691	20	5		GCBDRM
CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1C	ZINC000600653127	530931599	/nfs/dbraw/zinc/93/15/99/530931599.db2.gz	FLAJREDZSIXJBC-UHFFFAOYSA-N	-1	0	389.415	0.346	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000277215647	530913092	/nfs/dbraw/zinc/91/30/92/530913092.db2.gz	HEXCBVHOCFZAKO-MRVPVSSYSA-N	-1	0	377.331	0.234	20	5		GCBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000277377768	530913901	/nfs/dbraw/zinc/91/39/01/530913901.db2.gz	FQAAPYKWJNZMAA-SECBINFHSA-N	-1	0	375.428	0.658	20	5		GCBDRM
CN(c1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000392270558	530922097	/nfs/dbraw/zinc/92/20/97/530922097.db2.gz	TWERVMKLPOICJI-UHFFFAOYSA-N	-1	0	387.395	0.773	20	5		GCBDRM
CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1	ZINC000392666190	530922478	/nfs/dbraw/zinc/92/24/78/530922478.db2.gz	IRHAKCDFMZIDTJ-UHFFFAOYSA-N	-1	0	381.407	0.436	20	5		GCBDRM
CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000604030509	530937440	/nfs/dbraw/zinc/93/74/40/530937440.db2.gz	HNIIHEWBUXNQBQ-SNVBAGLBSA-N	-1	0	393.443	0.250	20	5		GCBDRM
CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000604037381	530937600	/nfs/dbraw/zinc/93/76/00/530937600.db2.gz	XUIJTJXIAXYRBR-JTQLQIEISA-N	-1	0	393.443	0.393	20	5		GCBDRM
NS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000272217856	530979728	/nfs/dbraw/zinc/97/97/28/530979728.db2.gz	JYEDYCUKMLQNPF-UHFFFAOYSA-N	-1	0	378.794	0.808	20	5		GCBDRM
O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000272561652	530997036	/nfs/dbraw/zinc/99/70/36/530997036.db2.gz	AESCXOJEPIGWHS-UHFFFAOYSA-N	-1	0	375.428	0.409	20	5		GCBDRM
COCCOCCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000576634580	531083986	/nfs/dbraw/zinc/08/39/86/531083986.db2.gz	UQNKVAYZWIAQLX-UHFFFAOYSA-N	-1	0	376.387	0.933	20	5		GCBDRM
COCCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn1	ZINC000737015310	599042062	/nfs/dbraw/zinc/04/20/62/599042062.db2.gz	BMICNXPVFHOUQW-UHFFFAOYSA-N	-1	0	394.373	0.419	20	5		GCBDRM
CN(CCC(=O)[O-])c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000572164193	596982437	/nfs/dbraw/zinc/98/24/37/596982437.db2.gz	UKBGQWRONFQKDW-UHFFFAOYSA-N	-1	0	386.430	0.442	20	5		GCBDRM
O=C([O-])CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262280299	597113906	/nfs/dbraw/zinc/11/39/06/597113906.db2.gz	WMOCNWREZWHUNG-ZDUSSCGKSA-N	-1	0	385.398	0.729	20	5		GCBDRM
NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000269103650	597160020	/nfs/dbraw/zinc/16/00/20/597160020.db2.gz	BECKPTUNCCMJLB-LLVKDONJSA-N	-1	0	386.386	0.120	20	5		GCBDRM
C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000262723128	597308217	/nfs/dbraw/zinc/30/82/17/597308217.db2.gz	XBWPDRVQTHERTN-QWRGUYRKSA-N	-1	0	385.398	0.585	20	5		GCBDRM
O=C([O-])Cn1cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)nn1	ZINC000821538233	597359372	/nfs/dbraw/zinc/35/93/72/597359372.db2.gz	IDXQKDKPSWCBFQ-JTQLQIEISA-N	-1	0	393.312	0.212	20	5		GCBDRM
O=C([O-])Cn1cc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)nn1	ZINC000821538234	597359399	/nfs/dbraw/zinc/35/93/99/597359399.db2.gz	IDXQKDKPSWCBFQ-SNVBAGLBSA-N	-1	0	393.312	0.212	20	5		GCBDRM
O=C([O-])CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2	ZINC000819507576	597440492	/nfs/dbraw/zinc/44/04/92/597440492.db2.gz	MZQARCPAGBLUSR-UHFFFAOYSA-N	-1	0	375.293	0.603	20	5		GCBDRM
COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCO[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000591325378	597440995	/nfs/dbraw/zinc/44/09/95/597440995.db2.gz	JZAKNMSHKATAMZ-NOZJJQNGSA-N	-1	0	381.341	0.176	20	5		GCBDRM
O=C([O-])[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000462646978	597443697	/nfs/dbraw/zinc/44/36/97/597443697.db2.gz	XDUSJOPXFGFUMN-ZDUSSCGKSA-N	-1	0	385.398	0.729	20	5		GCBDRM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262732012	597466653	/nfs/dbraw/zinc/46/66/53/597466653.db2.gz	CEFKELSVQVJBET-GXFFZTMASA-N	-1	0	385.398	0.679	20	5		GCBDRM
C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000737706603	597494564	/nfs/dbraw/zinc/49/45/64/597494564.db2.gz	TTWJUMJQRKSIEO-ZETCQYMHSA-N	-1	0	380.762	0.933	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000610891721	597495097	/nfs/dbraw/zinc/49/50/97/597495097.db2.gz	NUWYAXXHTGLSBP-VHSXEESVSA-N	-1	0	385.398	0.972	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)C(=O)[O-]	ZINC000262188810	597692189	/nfs/dbraw/zinc/69/21/89/597692189.db2.gz	GOFKECZOMKPRNX-LLVKDONJSA-N	-1	0	389.368	0.832	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000262352347	597699342	/nfs/dbraw/zinc/69/93/42/597699342.db2.gz	BHSHMWUHEAVOMQ-JTQLQIEISA-N	-1	0	387.414	0.757	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCN2CC(=O)[O-])cc([N+](=O)[O-])c1	ZINC000820894206	598061822	/nfs/dbraw/zinc/06/18/22/598061822.db2.gz	FCSVITKCMIWXQF-NSHDSACASA-N	-1	0	386.382	0.704	20	5		GCBDRM
CC[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000571523614	598161441	/nfs/dbraw/zinc/16/14/41/598161441.db2.gz	NQHIFORYWNCJOP-GFCCVEGCSA-N	-1	0	386.430	0.806	20	5		GCBDRM
O=C([O-])NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000739942851	599708255	/nfs/dbraw/zinc/70/82/55/599708255.db2.gz	TZBLMPNMVIIUIJ-UHFFFAOYSA-N	-1	0	386.386	0.085	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000737605255	599751153	/nfs/dbraw/zinc/75/11/53/599751153.db2.gz	WBNIZCHYSDHEKN-SECBINFHSA-N	-1	0	397.315	0.173	20	5		GCBDRM
C[C@@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000594461257	599781406	/nfs/dbraw/zinc/78/14/06/599781406.db2.gz	ZBEYRCBNMGWFJF-NWDGAFQWSA-N	-1	0	399.425	0.832	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O	ZINC000737618996	599953861	/nfs/dbraw/zinc/95/38/61/599953861.db2.gz	WXRQWLNDFANJPF-UHFFFAOYSA-N	-1	0	376.325	0.336	20	5		GCBDRM
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@H](C(=O)[O-])C2)C1=O	ZINC000736740437	599957714	/nfs/dbraw/zinc/95/77/14/599957714.db2.gz	BJIYXCOYWVUPQX-LRDDRELGSA-N	-1	0	378.341	0.105	20	5		GCBDRM
CCOC[C@@H](O)CN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000737161634	600002744	/nfs/dbraw/zinc/00/27/44/600002744.db2.gz	ICXHVSWCJRJSTP-HNNXBMFYSA-N	-1	0	381.385	0.448	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC000262570276	600059527	/nfs/dbraw/zinc/05/95/27/600059527.db2.gz	CIOJQGPNXGWANV-QWHCGFSZSA-N	-1	0	397.409	0.457	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000485642057	600059582	/nfs/dbraw/zinc/05/95/82/600059582.db2.gz	IIMDKPFGCBQUEI-CHWSQXEVSA-N	-1	0	383.382	0.148	20	5		GCBDRM
O=C([O-])c1cc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc([N+](=O)[O-])c1	ZINC000738470385	600095091	/nfs/dbraw/zinc/09/50/91/600095091.db2.gz	BYKNVSCPPLSZKP-UHFFFAOYSA-N	-1	0	393.230	0.838	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000738304753	600161663	/nfs/dbraw/zinc/16/16/63/600161663.db2.gz	DJAWORSDTIZXKW-UHFFFAOYSA-N	-1	0	387.414	0.311	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NCCN2CCOC[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655901	600161748	/nfs/dbraw/zinc/16/17/48/600161748.db2.gz	GLTQZBXHPAODKB-VXGBXAGGSA-N	-1	0	380.401	0.930	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NCCN2CCOC[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655899	600161794	/nfs/dbraw/zinc/16/17/94/600161794.db2.gz	GLTQZBXHPAODKB-RYUDHWBXSA-N	-1	0	380.401	0.930	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000739785165	600171722	/nfs/dbraw/zinc/17/17/22/600171722.db2.gz	MRZFMUXXXNVXMS-UHFFFAOYSA-N	-1	0	383.426	0.932	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	ZINC000739785201	600173654	/nfs/dbraw/zinc/17/36/54/600173654.db2.gz	AWMXFAKPJYOEIB-UHFFFAOYSA-N	-1	0	390.396	0.795	20	5		GCBDRM
COCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000262625901	600181297	/nfs/dbraw/zinc/18/12/97/600181297.db2.gz	NPZCQZNBYQKTLQ-GFCCVEGCSA-N	-1	0	386.382	0.569	20	5		GCBDRM
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2noc(CCC(=O)[O-])n2)C1=O	ZINC000736740784	600186039	/nfs/dbraw/zinc/18/60/39/600186039.db2.gz	GKXDJRYLJQRVMB-INIZCTEOSA-N	-1	0	389.324	0.962	20	5		GCBDRM
O=C([O-])CCc1nc(COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)no1	ZINC000739768806	600187434	/nfs/dbraw/zinc/18/74/34/600187434.db2.gz	GPJGZXLWFOZYJM-UHFFFAOYSA-N	-1	0	392.280	0.646	20	5		GCBDRM
O=C([O-])CCc1nc(COC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)no1	ZINC000739775635	600193283	/nfs/dbraw/zinc/19/32/83/600193283.db2.gz	QSMXRJWIELNWSC-UHFFFAOYSA-N	-1	0	388.296	0.933	20	5		GCBDRM
Cc1c(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])nnn1-c1cccc([N+](=O)[O-])c1	ZINC000738292532	600193650	/nfs/dbraw/zinc/19/36/50/600193650.db2.gz	UEIRIMIXOANNSU-VIFPVBQESA-N	-1	0	377.313	0.230	20	5		GCBDRM
CNC(=O)[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000737536934	600239481	/nfs/dbraw/zinc/23/94/81/600239481.db2.gz	AQJXVHNCYAFVHV-CMPLNLGQSA-N	-1	0	378.385	0.760	20	5		GCBDRM
CNC(=O)[C@@H]1CCCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000737536941	600239589	/nfs/dbraw/zinc/23/95/89/600239589.db2.gz	AQJXVHNCYAFVHV-ZYHUDNBSSA-N	-1	0	378.385	0.760	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)CSc1ccccc1[N+](=O)[O-]	ZINC000739786234	600265207	/nfs/dbraw/zinc/26/52/07/600265207.db2.gz	MKHUCEKUALRGCD-UHFFFAOYSA-N	-1	0	383.426	0.932	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000739786254	600265251	/nfs/dbraw/zinc/26/52/51/600265251.db2.gz	NALVOPUDRSCPIQ-UHFFFAOYSA-N	-1	0	391.384	0.190	20	5		GCBDRM
O=C([O-])[C@H]1CC12CCN(C(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)CC2	ZINC000739527947	600279130	/nfs/dbraw/zinc/27/91/30/600279130.db2.gz	YINUBFSJFFIOCW-LLVKDONJSA-N	-1	0	387.348	0.904	20	5		GCBDRM
O=C([O-])N1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1	ZINC000738509198	600312279	/nfs/dbraw/zinc/31/22/79/600312279.db2.gz	XJNXOTVGVVRQJJ-UHFFFAOYSA-N	-1	0	394.340	0.517	20	5		GCBDRM
O=C([O-])C[C@H]1C(=O)NCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000739633824	600317654	/nfs/dbraw/zinc/31/76/54/600317654.db2.gz	IJNDGQPKEQEIDU-LBPRGKRZSA-N	-1	0	378.341	0.168	20	5		GCBDRM
CCN(C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000737060616	600445140	/nfs/dbraw/zinc/44/51/40/600445140.db2.gz	OVTRBDDPFGSILQ-JTQLQIEISA-N	-1	0	386.382	0.707	20	5		GCBDRM
O=C([O-])CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262785946	600536128	/nfs/dbraw/zinc/53/61/28/600536128.db2.gz	ZRFSDRBACSKFFL-CYBMUJFWSA-N	-1	0	385.398	0.729	20	5		GCBDRM
O=C([O-])C1CCN(C(=O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1	ZINC000739591772	600564878	/nfs/dbraw/zinc/56/48/78/600564878.db2.gz	VRKAARDBHMJDJF-CYBMUJFWSA-N	-1	0	377.401	0.799	20	5		GCBDRM
CC(C)(C)[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736240417	600644701	/nfs/dbraw/zinc/64/47/01/600644701.db2.gz	BSNZKXAVKPNJRG-CYBMUJFWSA-N	-1	0	387.414	0.879	20	5		GCBDRM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000272340118	600661803	/nfs/dbraw/zinc/66/18/03/600661803.db2.gz	BRFZCPUMZIBOFH-NWDGAFQWSA-N	-1	0	399.425	0.880	20	5		GCBDRM
O=C([O-])C[C@@H]1CSCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000739647518	600671981	/nfs/dbraw/zinc/67/19/81/600671981.db2.gz	GXYLBSGMNSHYIL-SECBINFHSA-N	-1	0	393.377	0.610	20	5		GCBDRM
O=C([O-])C[C@H]1CSCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000739651127	600699082	/nfs/dbraw/zinc/69/90/82/600699082.db2.gz	LMAHVUCWQMSXAN-ZDUSSCGKSA-N	-1	0	396.425	0.813	20	5		GCBDRM
O=C([O-])Cn1cc(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1	ZINC000520502173	600712049	/nfs/dbraw/zinc/71/20/49/600712049.db2.gz	CLIKCERNHPODTK-UHFFFAOYSA-N	-1	0	395.397	0.387	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1	ZINC000760119861	600738426	/nfs/dbraw/zinc/73/84/26/600738426.db2.gz	YJBANGBPSCIXMT-SECBINFHSA-N	-1	0	395.187	0.831	20	5		GCBDRM
COCCN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C	ZINC000831744572	600812936	/nfs/dbraw/zinc/81/29/36/600812936.db2.gz	LIMLOIBJFGEPEN-LBPRGKRZSA-N	-1	0	380.401	0.566	20	5		GCBDRM
COCCN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C	ZINC000831745413	600813561	/nfs/dbraw/zinc/81/35/61/600813561.db2.gz	PSQUVFGVFOVHCY-STQMWFEESA-N	-1	0	394.428	0.955	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NC[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704249	600817616	/nfs/dbraw/zinc/81/76/16/600817616.db2.gz	WDJYOKUWRQKWJJ-XPTSAGLGSA-N	-1	0	377.357	0.677	20	5		GCBDRM
Cn1nc2c(cc1=O)CN(c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000833061260	600827473	/nfs/dbraw/zinc/82/74/73/600827473.db2.gz	BEGKKEMVNUPONA-UHFFFAOYSA-N	-1	0	387.352	0.066	20	5		GCBDRM
O=C([O-])CCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCOCC1	ZINC000833231759	600964678	/nfs/dbraw/zinc/96/46/78/600964678.db2.gz	RGXMHLGHWMSSLG-UHFFFAOYSA-N	-1	0	393.352	0.985	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccn1	ZINC000833106709	600975804	/nfs/dbraw/zinc/97/58/04/600975804.db2.gz	OFZVBZSLQLGWJT-CQSZACIVSA-N	-1	0	384.304	0.528	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1=O	ZINC000833122747	601069984	/nfs/dbraw/zinc/06/99/84/601069984.db2.gz	LPYUDOWFTOJOKB-SECBINFHSA-N	-1	0	379.354	0.473	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000833005226	601070266	/nfs/dbraw/zinc/07/02/66/601070266.db2.gz	SFIQBBUKBCUWHE-SNVBAGLBSA-N	-1	0	393.381	0.781	20	5		GCBDRM
C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1	ZINC000600869157	601091085	/nfs/dbraw/zinc/09/10/85/601091085.db2.gz	KQSKWDDPQUGFMU-LLVKDONJSA-N	-1	0	379.369	0.987	20	5		GCBDRM
C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1	ZINC000600868178	601102347	/nfs/dbraw/zinc/10/23/47/601102347.db2.gz	GHZUQXYAGBHQGA-GFCCVEGCSA-N	-1	0	388.384	0.797	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)C1=O	ZINC000833122305	601115404	/nfs/dbraw/zinc/11/54/04/601115404.db2.gz	HSMZCWRMGZWVEC-QMMMGPOBSA-N	-1	0	381.326	0.295	20	5		GCBDRM
Cc1ccc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000832937527	601174279	/nfs/dbraw/zinc/17/42/79/601174279.db2.gz	RLRHSUTUBWAPEW-GFCCVEGCSA-N	-1	0	378.385	0.849	20	5		GCBDRM
CC(=O)N[C@@H]1CCCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000825870737	601249179	/nfs/dbraw/zinc/24/91/79/601249179.db2.gz	AKRNWFJRNJAKMI-ZWNOBZJWSA-N	-1	0	378.385	0.903	20	5		GCBDRM
CC(=O)N[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000825870735	601249337	/nfs/dbraw/zinc/24/93/37/601249337.db2.gz	AKRNWFJRNJAKMI-GXFFZTMASA-N	-1	0	378.385	0.903	20	5		GCBDRM
C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1	ZINC000827386475	601259318	/nfs/dbraw/zinc/25/93/18/601259318.db2.gz	UCENPSGCSXBZNO-SNVBAGLBSA-N	-1	0	375.378	0.903	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)NC2(CC(=O)[O-])CCOCC2)c([N+](=O)[O-])c1	ZINC000262497265	601329683	/nfs/dbraw/zinc/32/96/83/601329683.db2.gz	MYOHJHPXOLOVJZ-UHFFFAOYSA-N	-1	0	397.409	0.926	20	5		GCBDRM
Cc1cn(CN2CCO[C@@H](CC(=O)[O-])C2)c(=O)n1-c1ccccc1[N+](=O)[O-]	ZINC000832985722	601375748	/nfs/dbraw/zinc/37/57/48/601375748.db2.gz	ZLBNGRWQOOUTNQ-ZDUSSCGKSA-N	-1	0	376.369	0.989	20	5		GCBDRM
CN(CC(=O)N[C@H](CC(=O)[O-])C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000830669883	601536415	/nfs/dbraw/zinc/53/64/15/601536415.db2.gz	QTPVKJOQKGRNJX-CYBMUJFWSA-N	-1	0	385.398	0.585	20	5		GCBDRM
Nc1nsc(N2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)n1	ZINC000833091109	601558018	/nfs/dbraw/zinc/55/80/18/601558018.db2.gz	MPFREENVYCXQAK-UHFFFAOYSA-N	-1	0	378.370	0.689	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000595984227	601604917	/nfs/dbraw/zinc/60/49/17/601604917.db2.gz	BFXLQZOIVJXWCZ-NSHDSACASA-N	-1	0	393.381	0.800	20	5		GCBDRM
O=C([O-])CNC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000821530940	601605706	/nfs/dbraw/zinc/60/57/06/601605706.db2.gz	BQDUAKKGUANOOJ-UHFFFAOYSA-N	-1	0	375.131	0.644	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1OC	ZINC000831774077	601607019	/nfs/dbraw/zinc/60/70/19/601607019.db2.gz	MVVUXCAXYFRHKC-LBPRGKRZSA-N	-1	0	384.341	0.554	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1	ZINC000833252218	601681330	/nfs/dbraw/zinc/68/13/30/601681330.db2.gz	IZYMIYKCVWHRRO-GJZGRUSLSA-N	-1	0	379.369	0.793	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1	ZINC000833252217	601681334	/nfs/dbraw/zinc/68/13/34/601681334.db2.gz	IZYMIYKCVWHRRO-CABCVRRESA-N	-1	0	379.369	0.793	20	5		GCBDRM
Cc1c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832850583	601712463	/nfs/dbraw/zinc/71/24/63/601712463.db2.gz	ZYDBFGUGVBHUPT-CYBMUJFWSA-N	-1	0	375.334	0.189	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1	ZINC000262800169	601739031	/nfs/dbraw/zinc/73/90/31/601739031.db2.gz	PEXBIJKQOXWKDX-LLVKDONJSA-N	-1	0	379.325	0.022	20	5		GCBDRM
C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC000828333227	601758222	/nfs/dbraw/zinc/75/82/22/601758222.db2.gz	FDJAEXNPODWGHL-GXFFZTMASA-N	-1	0	385.398	0.442	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCN3C(=O)OC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703008	602013878	/nfs/dbraw/zinc/01/38/78/602013878.db2.gz	GXHWLNKBNKPVRL-GXSJLCMTSA-N	-1	0	378.341	0.439	20	5		GCBDRM
CS(=O)(=O)C1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000832659788	602137193	/nfs/dbraw/zinc/13/71/93/602137193.db2.gz	LQRUDIRZBUNRIG-UHFFFAOYSA-N	-1	0	385.398	0.423	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1	ZINC000826500244	607552400	/nfs/dbraw/zinc/55/24/00/607552400.db2.gz	PQWZXHUILAJYSK-GHMZBOCLSA-N	-1	0	394.413	0.822	20	5		GCBDRM
COc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000826203514	607555208	/nfs/dbraw/zinc/55/52/08/607555208.db2.gz	RWQZBGAZXRRMBD-UHFFFAOYSA-N	-1	0	391.369	0.657	20	5		GCBDRM
Cc1nn(C)c(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)c1[N+](=O)[O-]	ZINC000833012760	602255781	/nfs/dbraw/zinc/25/57/81/602255781.db2.gz	FPGGRMLYQCFWSV-UHFFFAOYSA-N	-1	0	382.354	0.991	20	5		GCBDRM
CS(=O)(=O)c1ccc([C@H](O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1	ZINC000832716147	602299681	/nfs/dbraw/zinc/29/96/81/602299681.db2.gz	IWFVGIKBVGSWEA-CYBMUJFWSA-N	-1	0	382.350	0.592	20	5		GCBDRM
CS(=O)(=O)c1ccc([C@@H](O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1	ZINC000832716148	602299702	/nfs/dbraw/zinc/29/97/02/602299702.db2.gz	IWFVGIKBVGSWEA-ZDUSSCGKSA-N	-1	0	382.350	0.592	20	5		GCBDRM
CC(=O)Nc1ccc(OC[C@H](O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1	ZINC000825907947	602299882	/nfs/dbraw/zinc/29/98/82/602299882.db2.gz	HDPPMFPYKDEJLW-CYBMUJFWSA-N	-1	0	391.336	0.853	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2ccc3c(c2)OCO3)c1=O	ZINC000833307831	602300152	/nfs/dbraw/zinc/30/01/52/602300152.db2.gz	PZENWJRKUWHWQY-SNVBAGLBSA-N	-1	0	378.293	0.623	20	5		GCBDRM
COc1cc(S(=O)(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC000832095952	602318202	/nfs/dbraw/zinc/31/82/02/602318202.db2.gz	TXLIMALNGNMXMQ-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1	ZINC000833253238	602329649	/nfs/dbraw/zinc/32/96/49/602329649.db2.gz	RLVUWSOHRMEOBO-UHFFFAOYSA-N	-1	0	380.338	0.605	20	5		GCBDRM
CCCCN(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825281399	607586930	/nfs/dbraw/zinc/58/69/30/607586930.db2.gz	CYHMOMQTHKNVAG-UHFFFAOYSA-N	-1	0	383.390	0.051	20	5		GCBDRM
C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824908197	607591410	/nfs/dbraw/zinc/59/14/10/607591410.db2.gz	NMJBCMXOZKUDPZ-RKDXNWHRSA-N	-1	0	395.401	0.049	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCn3ccnc3C2)c1-c1nnn[n-]1	ZINC000826500090	607622158	/nfs/dbraw/zinc/62/21/58/607622158.db2.gz	KTRKLCJYEUWCIV-UHFFFAOYSA-N	-1	0	376.358	0.176	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(CO)c2)c1-c1nnn[n-]1	ZINC000826500016	607633333	/nfs/dbraw/zinc/63/33/33/607633333.db2.gz	IEDGISQBJLKLOW-UHFFFAOYSA-N	-1	0	390.381	0.746	20	5		GCBDRM
CC[C@@H](C)[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825051588	607635878	/nfs/dbraw/zinc/63/58/78/607635878.db2.gz	RUTOCMRYIBUMSP-YMTOWFKASA-N	-1	0	384.418	0.850	20	5		GCBDRM
CSC[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826226617	607639699	/nfs/dbraw/zinc/63/96/99/607639699.db2.gz	CUGJRJGIDTYBOZ-LBPRGKRZSA-N	-1	0	388.431	0.167	20	5		GCBDRM
CSC[C@@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826228639	607642875	/nfs/dbraw/zinc/64/28/75/607642875.db2.gz	VVZKVGQKDUYKAU-MRVPVSSYSA-N	-1	0	388.431	0.167	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)c1-c1nnn[n-]1	ZINC000826499988	607643553	/nfs/dbraw/zinc/64/35/53/607643553.db2.gz	HJFSYJJIKCDFEV-KOLCDFICSA-N	-1	0	382.402	0.604	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H](O)C2)c1-c1nnn[n-]1	ZINC000826500485	607645995	/nfs/dbraw/zinc/64/59/95/607645995.db2.gz	ZSGUMVNSJRRMNZ-VHSXEESVSA-N	-1	0	382.402	0.604	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cscn2)c1-c1nnn[n-]1	ZINC000826500089	607646111	/nfs/dbraw/zinc/64/61/11/607646111.db2.gz	KTQUTNUUBMEYGQ-UHFFFAOYSA-N	-1	0	381.399	0.752	20	5		GCBDRM
CC1(O)CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000824838918	607663785	/nfs/dbraw/zinc/66/37/85/607663785.db2.gz	WZQCUHJNSVPFFK-UHFFFAOYSA-N	-1	0	382.402	0.747	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C(C)(C)C1=O	ZINC000826038415	607669366	/nfs/dbraw/zinc/66/93/66/607669366.db2.gz	NGLMIALNZRMHQS-UHFFFAOYSA-N	-1	0	395.401	0.016	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3c[nH]nc3C2)c1-c1nnn[n-]1	ZINC000826500182	607671306	/nfs/dbraw/zinc/67/13/06/607671306.db2.gz	NVHWFLPHGDHBHT-VIFPVBQESA-N	-1	0	390.385	0.334	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ccccn2)c1-c1nnn[n-]1	ZINC000826500189	607671571	/nfs/dbraw/zinc/67/15/71/607671571.db2.gz	NYVJINMOCVMRGS-UHFFFAOYSA-N	-1	0	390.385	0.560	20	5		GCBDRM
C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000824691353	607678288	/nfs/dbraw/zinc/67/82/88/607678288.db2.gz	ZYPNNPPLTSFFQE-ZJUUUORDSA-N	-1	0	382.402	0.556	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOCC23CCC3)c1-c1nnn[n-]1	ZINC000826499952	607680695	/nfs/dbraw/zinc/68/06/95/607680695.db2.gz	FVIZIIKHAZKJJE-UHFFFAOYSA-N	-1	0	380.386	0.719	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(F)n2)c1-c1nnn[n-]1	ZINC000826500035	607680932	/nfs/dbraw/zinc/68/09/32/607680932.db2.gz	IYOANYNJBDAHCG-UHFFFAOYSA-N	-1	0	379.333	0.788	20	5		GCBDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000827001883	604393593	/nfs/dbraw/zinc/39/35/93/604393593.db2.gz	SGOYZHDRWBVNCV-GFCCVEGCSA-N	-1	0	393.352	0.527	20	5		GCBDRM
O=C([O-])N1CC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	ZINC000831851889	604412936	/nfs/dbraw/zinc/41/29/36/604412936.db2.gz	DPXBZEMMOSQEEQ-UHFFFAOYSA-N	-1	0	380.176	0.998	20	5		GCBDRM
CCOC(=O)c1cc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cc([N+](=O)[O-])c1C	ZINC000739479053	604413554	/nfs/dbraw/zinc/41/35/54/604413554.db2.gz	GGNWFZJFVILXKZ-UHFFFAOYSA-N	-1	0	387.370	0.720	20	5		GCBDRM
CN(CC(=O)N1CCC[C@H]1CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000830665755	604591876	/nfs/dbraw/zinc/59/18/76/604591876.db2.gz	RZBYRQCSNOBGAT-NSHDSACASA-N	-1	0	385.398	0.681	20	5		GCBDRM
C[C@H](CN(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263550714	604626888	/nfs/dbraw/zinc/62/68/88/604626888.db2.gz	KRDCUTLUAKLIFH-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
O=C([O-])N1CC(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC000740490225	604637414	/nfs/dbraw/zinc/63/74/14/604637414.db2.gz	UMKLIFHSSWYNSK-UHFFFAOYSA-N	-1	0	386.386	0.390	20	5		GCBDRM
O=C([O-])Cn1cc(CCOC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)nn1	ZINC000833270188	604700303	/nfs/dbraw/zinc/70/03/03/604700303.db2.gz	QTHMYVWOJCMVGI-UHFFFAOYSA-N	-1	0	387.312	0.251	20	5		GCBDRM
O=C(CN1C(=O)c2ccccc2C1=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000833106644	604714666	/nfs/dbraw/zinc/71/46/66/604714666.db2.gz	MFOUEZOSUOKXTI-UHFFFAOYSA-N	-1	0	385.288	0.320	20	5		GCBDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000829956479	604732250	/nfs/dbraw/zinc/73/22/50/604732250.db2.gz	ZJJAIYIQNWBLEL-LBPRGKRZSA-N	-1	0	381.341	0.268	20	5		GCBDRM
C[S@](=O)CCN1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000832729834	604800758	/nfs/dbraw/zinc/80/07/58/604800758.db2.gz	JMIJGFHSPXHXBM-SANMLTNESA-N	-1	0	386.386	0.702	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000832716149	604834248	/nfs/dbraw/zinc/83/42/48/604834248.db2.gz	IZWGKDZZBGTJLZ-UHFFFAOYSA-N	-1	0	398.353	0.074	20	5		GCBDRM
O=C([O-])c1ccc(N2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)nn1	ZINC000833783162	604959871	/nfs/dbraw/zinc/95/98/71/604959871.db2.gz	WKZNVFBYCFTEOA-UHFFFAOYSA-N	-1	0	397.351	0.922	20	5		GCBDRM
CC[C@@H](OC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000833643807	605009981	/nfs/dbraw/zinc/00/99/81/605009981.db2.gz	AKKZEZKARGCDMI-LLVKDONJSA-N	-1	0	375.359	0.321	20	5		GCBDRM
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C(=O)NC(N)=O	ZINC000833530175	605017413	/nfs/dbraw/zinc/01/74/13/605017413.db2.gz	BBFZIPQEVAEBQP-ZETCQYMHSA-N	-1	0	385.354	0.902	20	5		GCBDRM
CCOc1cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC	ZINC000833660179	605034762	/nfs/dbraw/zinc/03/47/62/605034762.db2.gz	HGEZOODLQKUXHI-UHFFFAOYSA-N	-1	0	396.356	0.809	20	5		GCBDRM
CC(C)[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833471178	605208956	/nfs/dbraw/zinc/20/89/56/605208956.db2.gz	FLTGXCQJZBJPCP-CYBMUJFWSA-N	-1	0	382.373	0.833	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C(=O)NCc1ccco1	ZINC000833523458	605390985	/nfs/dbraw/zinc/39/09/85/605390985.db2.gz	PKFQKUBPRRIWHH-VIFPVBQESA-N	-1	0	397.365	0.869	20	5		GCBDRM
CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CC2	ZINC000833677500	605395661	/nfs/dbraw/zinc/39/56/61/605395661.db2.gz	RPKFOCYNOMGZAS-SECBINFHSA-N	-1	0	395.397	0.740	20	5		GCBDRM
Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CC2	ZINC000833757027	605395687	/nfs/dbraw/zinc/39/56/87/605395687.db2.gz	UHUYFJYQSKSJRB-VIFPVBQESA-N	-1	0	381.370	0.486	20	5		GCBDRM
NC(=O)COc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000833761461	605398248	/nfs/dbraw/zinc/39/82/48/605398248.db2.gz	CPPHJIGJEIIOER-UHFFFAOYSA-N	-1	0	396.333	0.925	20	5		GCBDRM
COc1cc2c(nn1)CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C2	ZINC000833730397	605400297	/nfs/dbraw/zinc/40/02/97/605400297.db2.gz	XZDXWMUYHGSJTR-UHFFFAOYSA-N	-1	0	394.365	0.839	20	5		GCBDRM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000833745106	605560115	/nfs/dbraw/zinc/56/01/15/605560115.db2.gz	RTMYDPHKHFYJBN-UHFFFAOYSA-N	-1	0	385.333	0.578	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC000833708741	605646930	/nfs/dbraw/zinc/64/69/30/605646930.db2.gz	RJVSNTZRYBZHFD-NOZJJQNGSA-N	-1	0	384.316	0.978	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC000833711324	605773208	/nfs/dbraw/zinc/77/32/08/605773208.db2.gz	WDMDROCBCUJCFM-YPMHNXCESA-N	-1	0	394.336	0.651	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1sccc1-c1nn[nH]n1	ZINC000823284767	606182796	/nfs/dbraw/zinc/18/27/96/606182796.db2.gz	JHKKQKWTTAWYEC-UHFFFAOYSA-N	-1	0	381.355	0.350	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccc(-c2nn[nH]n2)c1	ZINC000823285410	606182818	/nfs/dbraw/zinc/18/28/18/606182818.db2.gz	SQDFEOXHQPHGEA-UHFFFAOYSA-N	-1	0	375.326	0.289	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1	ZINC000822619648	606709289	/nfs/dbraw/zinc/70/92/89/606709289.db2.gz	COENSOZZGZBKLZ-UHFFFAOYSA-N	-1	0	384.765	0.963	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1	ZINC000821728380	606710610	/nfs/dbraw/zinc/71/06/10/606710610.db2.gz	VMFYBBTXNLKGKM-UHFFFAOYSA-N	-1	0	380.346	0.318	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC(C)(C)O1	ZINC000820766867	606732529	/nfs/dbraw/zinc/73/25/29/606732529.db2.gz	DJNBMCNRDJFCND-SECBINFHSA-N	-1	0	382.402	0.963	20	5		GCBDRM
CCOC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000821367352	606733094	/nfs/dbraw/zinc/73/30/94/606733094.db2.gz	HKJTZAUBYOQOHJ-UHFFFAOYSA-N	-1	0	382.402	0.965	20	5		GCBDRM
NC(=O)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000822865052	606733423	/nfs/dbraw/zinc/73/34/23/606733423.db2.gz	TZDUCSXGOGOZND-UHFFFAOYSA-N	-1	0	395.401	0.051	20	5		GCBDRM
NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1	ZINC000822885731	607154603	/nfs/dbraw/zinc/15/46/03/607154603.db2.gz	UYHWCDJJULLWKM-UHFFFAOYSA-N	-1	0	389.353	0.675	20	5		GCBDRM
CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@@H]1C	ZINC000825465396	607819144	/nfs/dbraw/zinc/81/91/44/607819144.db2.gz	LAHQLSBWLKZBSJ-JTQLQIEISA-N	-1	0	381.418	0.490	20	5		GCBDRM
CC(C)C(=O)NCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824177280	607907517	/nfs/dbraw/zinc/90/75/17/607907517.db2.gz	GISROTBTPKIGCG-UHFFFAOYSA-N	-1	0	397.417	0.216	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)c1-c1nnn[n-]1	ZINC000826500477	607971605	/nfs/dbraw/zinc/97/16/05/607971605.db2.gz	ZQEOQLWXUALPGJ-UWVGGRQHSA-N	-1	0	382.402	0.604	20	5		GCBDRM
C[C@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(F)(F)F	ZINC000824671464	608026460	/nfs/dbraw/zinc/02/64/60/608026460.db2.gz	ZLSMVIVESNKUAQ-JTQLQIEISA-N	-1	0	396.307	0.367	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3COCC[C@H]32)c1-c1nnn[n-]1	ZINC000826500088	608303804	/nfs/dbraw/zinc/30/38/04/608303804.db2.gz	KPTGOTUMXZMBBG-WDEREUQCSA-N	-1	0	394.413	0.965	20	5		GCBDRM
CC(C)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCO1	ZINC000824225791	609331981	/nfs/dbraw/zinc/33/19/81/609331981.db2.gz	VWIOCAYZMBZKEO-LLVKDONJSA-N	-1	0	382.402	0.820	20	5		GCBDRM
CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825908533	609333914	/nfs/dbraw/zinc/33/39/14/609333914.db2.gz	JCDDTHOVONQTAA-CMPLNLGQSA-N	-1	0	396.429	0.947	20	5		GCBDRM
CC[C@@](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)(C(N)=O)C(C)C	ZINC000825149526	609401655	/nfs/dbraw/zinc/40/16/55/609401655.db2.gz	ZPLPYYSCSUEOFX-AWEZNQCLSA-N	-1	0	397.417	0.343	20	5		GCBDRM
COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)cc1[N+](=O)[O-]	ZINC000826210115	609455427	/nfs/dbraw/zinc/45/54/27/609455427.db2.gz	FEWRIIDTXBACAL-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)[C@H]1CCCOC1	ZINC000824640375	609580063	/nfs/dbraw/zinc/58/00/63/609580063.db2.gz	HJLCSMVNZGFJPK-ZJUUUORDSA-N	-1	0	382.402	0.868	20	5		GCBDRM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCS(=O)(=O)NC1CC1	ZINC000725823283	638565338	/nfs/dbraw/zinc/56/53/38/638565338.db2.gz	KTYMOUUMRPEEOZ-UHFFFAOYSA-N	-1	0	383.835	0.608	20	5		GCBDRM
C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000263513513	639169442	/nfs/dbraw/zinc/16/94/42/639169442.db2.gz	YSNXARPHHPNQEQ-JTQLQIEISA-N	-1	0	383.176	0.471	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)cc([N+](=O)[O-])c1C	ZINC000731288887	639760644	/nfs/dbraw/zinc/76/06/44/639760644.db2.gz	WMFDLGHDVAATJA-UHFFFAOYSA-N	-1	0	378.428	0.841	20	5		GCBDRM
C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)CS2	ZINC000732619961	639812996	/nfs/dbraw/zinc/81/29/96/639812996.db2.gz	FXYXHQLPFZMXSZ-PRHODGIISA-N	-1	0	391.452	0.915	20	5		GCBDRM
CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000916753386	639833838	/nfs/dbraw/zinc/83/38/38/639833838.db2.gz	GJSIMUUBQKIRFK-LLVKDONJSA-N	-1	0	391.427	0.214	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)cc([N+](=O)[O-])c1C	ZINC000916774990	639835725	/nfs/dbraw/zinc/83/57/25/639835725.db2.gz	IYQBSQFGFVJJMK-UHFFFAOYSA-N	-1	0	391.427	0.052	20	5		GCBDRM
Cn1c(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-]	ZINC000917442812	639851413	/nfs/dbraw/zinc/85/14/13/639851413.db2.gz	IJRMCYUTWMZGPK-UHFFFAOYSA-N	-1	0	387.395	0.456	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccccn2)cc([N+](=O)[O-])c1	ZINC000734967520	640006146	/nfs/dbraw/zinc/00/61/46/640006146.db2.gz	HTYOCEUDTZGNLA-UHFFFAOYSA-N	-1	0	385.379	0.512	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1	ZINC000747107645	640303617	/nfs/dbraw/zinc/30/36/17/640303617.db2.gz	YKFPMPKGYUBENI-UHFFFAOYSA-N	-1	0	394.402	0.754	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)CCCF)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000747138297	640305067	/nfs/dbraw/zinc/30/50/67/640305067.db2.gz	UOJBBJQHSVVZAJ-UHFFFAOYSA-N	-1	0	397.406	0.021	20	5		GCBDRM
C[C@@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750759971	640367389	/nfs/dbraw/zinc/36/73/89/640367389.db2.gz	KXVGGNGBJQZGIZ-MRVPVSSYSA-N	-1	0	384.395	0.675	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)cc1[N+](=O)[O-]	ZINC000754679621	640457883	/nfs/dbraw/zinc/45/78/83/640457883.db2.gz	AULDTGQXJURCFH-UHFFFAOYSA-N	-1	0	394.818	0.804	20	5		GCBDRM
COc1ncc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)cn1	ZINC000754679757	640457989	/nfs/dbraw/zinc/45/79/89/640457989.db2.gz	DEBWHAVINVIQFT-UHFFFAOYSA-N	-1	0	387.761	0.748	20	5		GCBDRM
COCCOCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000754675587	640458038	/nfs/dbraw/zinc/45/80/38/640458038.db2.gz	TVSWIFBUHXWBOP-UHFFFAOYSA-N	-1	0	381.794	0.688	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2	ZINC000756188716	640485589	/nfs/dbraw/zinc/48/55/89/640485589.db2.gz	YOTADKPFDACQQH-UHFFFAOYSA-N	-1	0	386.773	0.885	20	5		GCBDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000758530301	640534115	/nfs/dbraw/zinc/53/41/15/640534115.db2.gz	QFLPAKPFLIIGRE-LURJTMIESA-N	-1	0	379.778	0.835	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)s1	ZINC000759517847	640552389	/nfs/dbraw/zinc/55/23/89/640552389.db2.gz	GBSQRNFXPNAFOB-UHFFFAOYSA-N	-1	0	385.383	0.832	20	5		GCBDRM
COc1ccc(S(=O)(=O)N=c2nc(C(F)(F)F)[n-]n2C)c([N+](=O)[O-])c1	ZINC000769653448	640780483	/nfs/dbraw/zinc/78/04/83/640780483.db2.gz	HUTUSLHSABNIAI-UHFFFAOYSA-N	-1	0	381.292	0.973	20	5		GCBDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000770747518	640814087	/nfs/dbraw/zinc/81/40/87/640814087.db2.gz	OPNXRVFZLZDNRZ-UHFFFAOYSA-N	-1	0	396.175	0.518	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@]12CCC(=O)N1CCS2	ZINC000770772496	640814771	/nfs/dbraw/zinc/81/47/71/640814771.db2.gz	KQJMPSYQPLNIPU-CYBMUJFWSA-N	-1	0	389.386	0.604	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1	ZINC000772204847	640839801	/nfs/dbraw/zinc/83/98/01/640839801.db2.gz	YKFQCAQJQFDDCP-YPMHNXCESA-N	-1	0	386.407	0.991	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-]	ZINC000773945711	640873148	/nfs/dbraw/zinc/87/31/48/640873148.db2.gz	FSVITTXIFWWHCQ-VIFPVBQESA-N	-1	0	375.790	0.840	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCSC1	ZINC000774200517	640880886	/nfs/dbraw/zinc/88/08/86/640880886.db2.gz	AGNOSKHRMXNMRT-SNVBAGLBSA-N	-1	0	377.419	0.976	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1	ZINC000776629087	641108246	/nfs/dbraw/zinc/10/82/46/641108246.db2.gz	ZIEISXPEUKNHMX-UHFFFAOYSA-N	-1	0	389.777	0.711	20	5		GCBDRM
O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776716730	641114797	/nfs/dbraw/zinc/11/47/97/641114797.db2.gz	RSBMOFQMOYTVEH-CLTRCRFRSA-N	-1	0	382.803	0.454	20	5		GCBDRM
C[C@@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000861326801	641148140	/nfs/dbraw/zinc/14/81/40/641148140.db2.gz	OVWQPGXTHYXFMM-MRVPVSSYSA-N	-1	0	375.407	0.074	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](OC(C)(C)C)C[C@H]2C(=O)[O-])n1	ZINC000863410108	641234198	/nfs/dbraw/zinc/23/41/98/641234198.db2.gz	URUUYRLCLARYQO-BDAKNGLRSA-N	-1	0	376.391	0.360	20	5		GCBDRM
O=C([N-]N1CN=NC1=O)c1cc([N+](=O)[O-])ccc1I	ZINC000782123254	641243645	/nfs/dbraw/zinc/24/36/45/641243645.db2.gz	JYDMUAJXJADVAY-UHFFFAOYSA-N	-1	0	375.082	0.880	20	5		GCBDRM
O=C([N-]N1CN=NC1=O)c1ccc([N+](=O)[O-])cc1I	ZINC000782124544	641243926	/nfs/dbraw/zinc/24/39/26/641243926.db2.gz	RTGMMIXOTMRSHN-UHFFFAOYSA-N	-1	0	375.082	0.880	20	5		GCBDRM
Cc1cc(Br)c(NC(=O)C(=O)NCc2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000784714389	641292228	/nfs/dbraw/zinc/29/22/28/641292228.db2.gz	HERBHPKDCTYTJR-UHFFFAOYSA-N	-1	0	384.150	0.434	20	5		GCBDRM
Cc1cc(Br)c(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000784766538	641293357	/nfs/dbraw/zinc/29/33/57/641293357.db2.gz	PEQVPJSHXABUME-UHFFFAOYSA-N	-1	0	399.161	0.744	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCCS1(=O)=O	ZINC000791868398	641440032	/nfs/dbraw/zinc/44/00/32/641440032.db2.gz	MRPMWXMGDWOKBW-JTQLQIEISA-N	-1	0	380.375	0.506	20	5		GCBDRM
NC(=O)Cn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1	ZINC000795298384	641514114	/nfs/dbraw/zinc/51/41/14/641514114.db2.gz	VMOGOJIXYMRBEQ-UHFFFAOYSA-N	-1	0	377.741	0.870	20	5		GCBDRM
CNS(=O)(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795945891	641530906	/nfs/dbraw/zinc/53/09/06/641530906.db2.gz	RLSXSZVHPBLBOJ-UHFFFAOYSA-N	-1	0	375.787	0.215	20	5		GCBDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000797285522	641562167	/nfs/dbraw/zinc/56/21/67/641562167.db2.gz	OSDRRDUFYPPZPI-ZCFIWIBFSA-N	-1	0	395.187	0.978	20	5		GCBDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000797301272	641565335	/nfs/dbraw/zinc/56/53/35/641565335.db2.gz	ZNGLQFFZRFXDIV-ZETCQYMHSA-N	-1	0	376.343	0.233	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)n1	ZINC000797967821	641574968	/nfs/dbraw/zinc/57/49/68/641574968.db2.gz	FDVYKUCSZYMFRH-UHFFFAOYSA-N	-1	0	382.383	0.935	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-]	ZINC000808987901	641698203	/nfs/dbraw/zinc/69/82/03/641698203.db2.gz	MFIJUPCFAGOASH-ZETCQYMHSA-N	-1	0	390.805	0.694	20	5		GCBDRM
Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000810580752	641733732	/nfs/dbraw/zinc/73/37/32/641733732.db2.gz	KKTAEGPPRUBVDR-UHFFFAOYSA-N	-1	0	396.204	0.666	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000815951627	641838068	/nfs/dbraw/zinc/83/80/68/641838068.db2.gz	KXLBMAMONKDJRK-NSHDSACASA-N	-1	0	390.439	0.923	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)n1	ZINC000816290501	641847856	/nfs/dbraw/zinc/84/78/56/641847856.db2.gz	CXBOVWZNQVDBEE-UHFFFAOYSA-N	-1	0	382.280	0.199	20	5		GCBDRM
CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1=O	ZINC000819910788	641945115	/nfs/dbraw/zinc/94/51/15/641945115.db2.gz	AFFKPFMSAVFSHG-MRVPVSSYSA-N	-1	0	379.753	0.813	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc1[N+](=O)[O-]	ZINC000802129300	642143985	/nfs/dbraw/zinc/14/39/85/642143985.db2.gz	RJDXBZCVEGQURW-JTQLQIEISA-N	-1	0	392.411	0.237	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[N-]OCC(C)(C)O	ZINC000834624824	642215873	/nfs/dbraw/zinc/21/58/73/642215873.db2.gz	OVPJGNYSCHCMSG-SECBINFHSA-N	-1	0	375.403	0.858	20	5		GCBDRM
COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1	ZINC000842342516	642331435	/nfs/dbraw/zinc/33/14/35/642331435.db2.gz	LTAHBDRKAQJUEK-RKDXNWHRSA-N	-1	0	377.400	0.117	20	5		GCBDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000842355009	642332071	/nfs/dbraw/zinc/33/20/71/642332071.db2.gz	CZGRMWVCJOSKFP-UHFFFAOYSA-N	-1	0	382.297	0.819	20	5		GCBDRM
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000842450896	642336443	/nfs/dbraw/zinc/33/64/43/642336443.db2.gz	FEPNURCYRLHVOA-UHFFFAOYSA-N	-1	0	383.304	0.897	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(CC(F)(F)F)C1	ZINC000847894394	642524618	/nfs/dbraw/zinc/52/46/18/642524618.db2.gz	KKCMFXMGUDDYCX-QMMMGPOBSA-N	-1	0	382.320	0.679	20	5		GCBDRM
COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1	ZINC000850837458	642698148	/nfs/dbraw/zinc/69/81/48/642698148.db2.gz	JQLHKPYISBXUKF-UHFFFAOYSA-N	-1	0	377.400	0.940	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCCS1(=O)=O	ZINC000850886369	642701155	/nfs/dbraw/zinc/70/11/55/642701155.db2.gz	UPAZJQYJQZTBEZ-LLVKDONJSA-N	-1	0	380.375	0.506	20	5		GCBDRM
Cc1nnc(COCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])s1	ZINC000850886589	642701242	/nfs/dbraw/zinc/70/12/42/642701242.db2.gz	ZOHGIACNUVAJTF-UHFFFAOYSA-N	-1	0	390.374	0.916	20	5		GCBDRM
COc1cc(CS(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])nc2C)sn1	ZINC000851435882	642721079	/nfs/dbraw/zinc/72/10/79/642721079.db2.gz	ITJPABAXZZLOJY-UHFFFAOYSA-N	-1	0	389.415	0.601	20	5		GCBDRM
CS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000860445868	643032551	/nfs/dbraw/zinc/03/25/51/643032551.db2.gz	GOFBUAQDZRWTMG-JTQLQIEISA-N	-1	0	391.427	0.071	20	5		GCBDRM
NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)O1	ZINC000860444690	643032623	/nfs/dbraw/zinc/03/26/23/643032623.db2.gz	LPGXERADWVDCRU-VHSXEESVSA-N	-1	0	377.762	0.086	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N2CCC(Cn3cncn3)CC2)c1[N+](=O)[O-]	ZINC000584722895	1192420251	/nfs/dbraw/zinc/42/02/51/1192420251.db2.gz	FBECTZYKVBMRLT-UHFFFAOYSA-N	-1	0	395.397	0.985	20	5		GCBDRM
C[C@H]1[C@H](Nc2cc([N+](=O)[O-])cc(Br)n2)C(=O)N1S(=O)(=O)[O-]	ZINC001167859849	1192508972	/nfs/dbraw/zinc/50/89/72/1192508972.db2.gz	VPOBLKMUAVLMTO-NVNXEXLPSA-N	-1	0	381.164	0.566	20	5		GCBDRM
CCOC(=O)[C@H]1CCCN1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000274919570	1184427924	/nfs/dbraw/zinc/42/79/24/1184427924.db2.gz	MRPXPDDKCNGFLE-GFCCVEGCSA-N	-1	0	387.370	0.977	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cc1[N+](=O)[O-]	ZINC000274956827	1184438687	/nfs/dbraw/zinc/43/86/87/1184438687.db2.gz	AXGXXYDWCXGQGA-RYUDHWBXSA-N	-1	0	397.409	0.599	20	5		GCBDRM
O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NS(=O)(=O)[C@@H]1CCOC1	ZINC000274952489	1184441357	/nfs/dbraw/zinc/44/13/57/1184441357.db2.gz	GMFHIOMKWXNASI-RISCZKNCSA-N	-1	0	383.382	0.780	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000274970441	1184442521	/nfs/dbraw/zinc/44/25/21/1184442521.db2.gz	CHJFMTRABJYDEE-RYUDHWBXSA-N	-1	0	397.409	0.599	20	5		GCBDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000274984170	1184447032	/nfs/dbraw/zinc/44/70/32/1184447032.db2.gz	KBYBNYOCDVTTHZ-LLVKDONJSA-N	-1	0	388.354	0.482	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O	ZINC000275078311	1184499055	/nfs/dbraw/zinc/49/90/55/1184499055.db2.gz	IFTLCKLKKMTNGM-PWSUYJOCSA-N	-1	0	385.398	0.496	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)C1	ZINC000275107753	1184511349	/nfs/dbraw/zinc/51/13/49/1184511349.db2.gz	MMRVHRDTSVSWLC-MNOVXSKESA-N	-1	0	383.382	0.291	20	5		GCBDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000275121623	1184524085	/nfs/dbraw/zinc/52/40/85/1184524085.db2.gz	OAYWYBLUMNKDJO-SECBINFHSA-N	-1	0	390.370	0.476	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)ccc1[N+](=O)[O-]	ZINC000275132344	1184528479	/nfs/dbraw/zinc/52/84/79/1184528479.db2.gz	PGDKUIVESVNYLY-RYUDHWBXSA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)ccc1[N+](=O)[O-]	ZINC000275132335	1184528831	/nfs/dbraw/zinc/52/88/31/1184528831.db2.gz	PGDKUIVESVNYLY-NEPJUHHUSA-N	-1	0	397.409	0.599	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000275167506	1184538473	/nfs/dbraw/zinc/53/84/73/1184538473.db2.gz	UVLLRJYUAUPAOI-NSHDSACASA-N	-1	0	397.409	0.681	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1	ZINC000275166501	1184538527	/nfs/dbraw/zinc/53/85/27/1184538527.db2.gz	USKARYWPMPGZQF-CHWSQXEVSA-N	-1	0	397.409	0.432	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1C	ZINC000275180496	1184541730	/nfs/dbraw/zinc/54/17/30/1184541730.db2.gz	DGZWYASLFWYWAC-LBPRGKRZSA-N	-1	0	382.398	0.919	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c1C	ZINC000275238007	1184562385	/nfs/dbraw/zinc/56/23/85/1184562385.db2.gz	JXAXCZZLPOLMCF-GFCCVEGCSA-N	-1	0	382.398	0.919	20	5		GCBDRM
COCc1noc(CN2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)n1	ZINC000275438992	1184669837	/nfs/dbraw/zinc/66/98/37/1184669837.db2.gz	BNDGYHLRYYYTEC-UHFFFAOYSA-N	-1	0	377.357	0.788	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](Cn2nc(C)cc2C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547878624	1184733455	/nfs/dbraw/zinc/73/34/55/1184733455.db2.gz	VSBMDDZDAWJOGC-SNVBAGLBSA-N	-1	0	386.390	0.056	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)c([N+](=O)[O-])n1	ZINC000535991610	1184844350	/nfs/dbraw/zinc/84/43/50/1184844350.db2.gz	QLGACRWCOPEETE-UHFFFAOYSA-N	-1	0	383.390	0.087	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000471480321	1184929087	/nfs/dbraw/zinc/92/90/87/1184929087.db2.gz	MUWVSQPFUSDDBO-AWEZNQCLSA-N	-1	0	381.370	0.440	20	5		GCBDRM
COCc1noc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)n1	ZINC000275695983	1184940759	/nfs/dbraw/zinc/94/07/59/1184940759.db2.gz	YDXGFQQDHRRSBP-UHFFFAOYSA-N	-1	0	377.357	0.788	20	5		GCBDRM
COc1ccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000262241406	1185711051	/nfs/dbraw/zinc/71/10/51/1185711051.db2.gz	UKGQLTBVQCRCCR-LBPRGKRZSA-N	-1	0	379.369	0.999	20	5		GCBDRM
COc1cc(CCNC(=O)c2c[n-]n3c2nccc3=O)c([N+](=O)[O-])cc1OC	ZINC000581596223	1185778642	/nfs/dbraw/zinc/77/86/42/1185778642.db2.gz	HHDLRMDWFKKPQX-UHFFFAOYSA-N	-1	0	387.352	0.921	20	5		GCBDRM
Cn1nccc1S(=O)(=O)N[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-]	ZINC000548264167	1185920884	/nfs/dbraw/zinc/92/08/84/1185920884.db2.gz	OZXNYVBXWWKLKK-CYBMUJFWSA-N	-1	0	393.381	0.784	20	5		GCBDRM
Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1[O-]	ZINC000610968354	1186267725	/nfs/dbraw/zinc/26/77/25/1186267725.db2.gz	ZJZWYZHNSYWFJN-UHFFFAOYSA-N	-1	0	395.397	0.479	20	5		GCBDRM
COCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(=O)[O-]	ZINC000277196301	1186292266	/nfs/dbraw/zinc/29/22/66/1186292266.db2.gz	DUAHOCBERCZCSA-SECBINFHSA-N	-1	0	391.358	0.888	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC000548533380	1186302868	/nfs/dbraw/zinc/30/28/68/1186302868.db2.gz	GVZRTHJBYBUUCW-UFBFGSQYSA-N	-1	0	388.354	0.149	20	5		GCBDRM
Cn1cc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C(=O)[O-])cn1	ZINC000548532899	1186303807	/nfs/dbraw/zinc/30/38/07/1186303807.db2.gz	SLUFQMHPINIGEO-CYBMUJFWSA-N	-1	0	391.365	0.981	20	5		GCBDRM
Cn1cc(C[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000548555133	1186315185	/nfs/dbraw/zinc/31/51/85/1186315185.db2.gz	WQUQSOYWSSHAHH-ZDUSSCGKSA-N	-1	0	382.398	0.691	20	5		GCBDRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277284619	1186317281	/nfs/dbraw/zinc/31/72/81/1186317281.db2.gz	QCBLEYQRTWZQFT-GFCCVEGCSA-N	-1	0	387.370	0.939	20	5		GCBDRM
COCC[C@H](NS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277341404	1186341372	/nfs/dbraw/zinc/34/13/72/1186341372.db2.gz	WHAAOMRTGYJFRG-JTQLQIEISA-N	-1	0	391.358	0.541	20	5		GCBDRM
COCC[C@@H](NS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277341406	1186341714	/nfs/dbraw/zinc/34/17/14/1186341714.db2.gz	WHAAOMRTGYJFRG-SNVBAGLBSA-N	-1	0	391.358	0.541	20	5		GCBDRM
O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1	ZINC000277376319	1186353697	/nfs/dbraw/zinc/35/36/97/1186353697.db2.gz	ZWFIZNOSDLTTSQ-ZJUUUORDSA-N	-1	0	397.365	0.859	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000263328024	1186384634	/nfs/dbraw/zinc/38/46/34/1186384634.db2.gz	KXQGJKHVQFZRBO-NEPJUHHUSA-N	-1	0	399.425	0.785	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2=O)C1	ZINC000478599373	1186524025	/nfs/dbraw/zinc/52/40/25/1186524025.db2.gz	ZWLJUAAOAGEKLY-LBPRGKRZSA-N	-1	0	397.409	0.987	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1=O	ZINC000479009146	1186548214	/nfs/dbraw/zinc/54/82/14/1186548214.db2.gz	YPCYJNXOFXMJBI-VXGBXAGGSA-N	-1	0	381.389	0.353	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000479375109	1186569447	/nfs/dbraw/zinc/56/94/47/1186569447.db2.gz	YKCZIXZCQCUCRF-UHFFFAOYSA-N	-1	0	376.358	0.628	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)c([N+](=O)[O-])n1	ZINC000535990724	1186821602	/nfs/dbraw/zinc/82/16/02/1186821602.db2.gz	JKXHDWQAPGKSIY-UHFFFAOYSA-N	-1	0	378.374	0.896	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000584116137	1187000561	/nfs/dbraw/zinc/00/05/61/1187000561.db2.gz	LDAZGMLBIMHWDW-CQSZACIVSA-N	-1	0	399.425	0.785	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](Cc2cccc(OC)c2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000614325675	1187419520	/nfs/dbraw/zinc/41/95/20/1187419520.db2.gz	CXYJQKBMAKDKAZ-GFCCVEGCSA-N	-1	0	398.397	0.794	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1[N+](=O)[O-]	ZINC000580334363	1187680451	/nfs/dbraw/zinc/68/04/51/1187680451.db2.gz	ONSNMQQBPBALSW-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)N(C)C)C1	ZINC000414353075	1187847070	/nfs/dbraw/zinc/84/70/70/1187847070.db2.gz	REFIQSKXUIHQEL-SNVBAGLBSA-N	-1	0	385.398	0.700	20	5		GCBDRM
CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)cn1	ZINC000541307757	1189476067	/nfs/dbraw/zinc/47/60/67/1189476067.db2.gz	QDKBTIFEGWMLDM-UHFFFAOYSA-N	-1	0	397.369	0.125	20	5		GCBDRM
COC(=O)c1cnc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1	ZINC000416448429	1189520328	/nfs/dbraw/zinc/52/03/28/1189520328.db2.gz	UEMLQHWHLAPTPL-PWSUYJOCSA-N	-1	0	380.357	0.898	20	5		GCBDRM
C[C@@H]1OCC[C@@]12CN(S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])CCO2	ZINC000566564978	1189717138	/nfs/dbraw/zinc/71/71/38/1189717138.db2.gz	AZUYDVMWJLCLCN-ZUZCIYMTSA-N	-1	0	386.382	0.862	20	5		GCBDRM
Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)cn1	ZINC000796646715	1190022200	/nfs/dbraw/zinc/02/22/00/1190022200.db2.gz	AVSQHMGYKAGWEH-UHFFFAOYSA-N	-1	0	384.345	0.935	20	5		GCBDRM
O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000512662981	1193728435	/nfs/dbraw/zinc/72/84/35/1193728435.db2.gz	DMWDGQSEFJFTNI-LBPRGKRZSA-N	-1	0	387.414	0.519	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000262028195	1193936584	/nfs/dbraw/zinc/93/65/84/1193936584.db2.gz	GQEXSBOTAVLKGG-RYUDHWBXSA-N	-1	0	397.409	0.539	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCN=c2[n-]c(C3CCOCC3)no2)c1	ZINC000413083565	1194039584	/nfs/dbraw/zinc/03/95/84/1194039584.db2.gz	KBXMXYRPDKVYHL-UHFFFAOYSA-N	-1	0	397.413	0.684	20	5		GCBDRM
CN(CC(=O)NCCCCCC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000502447447	1194314439	/nfs/dbraw/zinc/31/44/39/1194314439.db2.gz	FLPHCHTWDAVSBU-UHFFFAOYSA-N	-1	0	387.414	0.977	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cncc(-c3nncn3C)c2)c([N+](=O)[O-])n1	ZINC000513789278	1194669803	/nfs/dbraw/zinc/66/98/03/1194669803.db2.gz	FSAVOPYFPBUQJT-UHFFFAOYSA-N	-1	0	378.374	0.803	20	5		GCBDRM
Cc1c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000422583142	1194672069	/nfs/dbraw/zinc/67/20/69/1194672069.db2.gz	BTFHZHVPFRFTKU-WPRPVWTQSA-N	-1	0	385.398	0.733	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H](C)C(=O)[O-]	ZINC000422674225	1194687077	/nfs/dbraw/zinc/68/70/77/1194687077.db2.gz	WAHOWOXFSIELBR-LLVKDONJSA-N	-1	0	394.384	0.588	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)cc([N+](=O)[O-])c1	ZINC000600875876	1194798026	/nfs/dbraw/zinc/79/80/26/1194798026.db2.gz	BDVICBNRFWSNLW-OAHLLOKOSA-N	-1	0	386.382	0.610	20	5		GCBDRM
CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)n1	ZINC000424224617	1194805511	/nfs/dbraw/zinc/80/55/11/1194805511.db2.gz	SNJUEULCUPWDAZ-UHFFFAOYSA-N	-1	0	385.358	0.559	20	5		GCBDRM
CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1	ZINC000424223354	1194805535	/nfs/dbraw/zinc/80/55/35/1194805535.db2.gz	PBBJYPZXUHAKQZ-UHFFFAOYSA-N	-1	0	385.358	0.559	20	5		GCBDRM
CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)n1	ZINC000424222066	1194805627	/nfs/dbraw/zinc/80/56/27/1194805627.db2.gz	LZCNPVSNEJFVCK-UHFFFAOYSA-N	-1	0	385.358	0.559	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCS1(=O)=O	ZINC000424231636	1194806479	/nfs/dbraw/zinc/80/64/79/1194806479.db2.gz	BIZHPTIDUQXWCE-CYBMUJFWSA-N	-1	0	394.365	0.104	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000424250482	1194806718	/nfs/dbraw/zinc/80/67/18/1194806718.db2.gz	UNOBBUOAHBRBCT-ZDUSSCGKSA-N	-1	0	383.382	0.493	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1	ZINC000424394854	1194809618	/nfs/dbraw/zinc/80/96/18/1194809618.db2.gz	ULDQIBZVAYTFCI-SNVBAGLBSA-N	-1	0	397.369	0.166	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1C	ZINC000424396779	1194810722	/nfs/dbraw/zinc/81/07/22/1194810722.db2.gz	YATFNWLMLLPNRH-JTQLQIEISA-N	-1	0	397.369	0.166	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1C	ZINC000424395689	1194810734	/nfs/dbraw/zinc/81/07/34/1194810734.db2.gz	VXYODTJMXKWKLD-SNVBAGLBSA-N	-1	0	397.369	0.166	20	5		GCBDRM
O=C([O-])[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424477674	1194814642	/nfs/dbraw/zinc/81/46/42/1194814642.db2.gz	WDJFCHVZDFMFJC-CYBMUJFWSA-N	-1	0	383.382	0.175	20	5		GCBDRM
CC(C)C[C@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)[O-]	ZINC000424488230	1194816386	/nfs/dbraw/zinc/81/63/86/1194816386.db2.gz	JYBCVEZPEHHGBC-GFCCVEGCSA-N	-1	0	395.416	0.818	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1	ZINC000515203266	1194957045	/nfs/dbraw/zinc/95/70/45/1194957045.db2.gz	IMCGGEFECHYRDP-UKRRQHHQSA-N	-1	0	380.378	0.930	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000435714627	1194959789	/nfs/dbraw/zinc/95/97/89/1194959789.db2.gz	LFRBTESMFYZKDH-MNOVXSKESA-N	-1	0	385.398	0.633	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1	ZINC000515850497	1195002442	/nfs/dbraw/zinc/00/24/42/1195002442.db2.gz	DJJLIFVDUFJHHK-UHFFFAOYSA-N	-1	0	397.369	0.328	20	5		GCBDRM
CCC(CC)(NC(=O)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1)C(N)=O	ZINC000436702001	1195026735	/nfs/dbraw/zinc/02/67/35/1195026735.db2.gz	COGJHKYZZRAKKO-UHFFFAOYSA-N	-1	0	378.385	0.533	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000516186004	1195031721	/nfs/dbraw/zinc/03/17/21/1195031721.db2.gz	UNNDSJPPLFNSNC-GXFFZTMASA-N	-1	0	385.398	0.496	20	5		GCBDRM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1	ZINC000436796955	1195037271	/nfs/dbraw/zinc/03/72/71/1195037271.db2.gz	YERQEFXVPJVLKD-UHFFFAOYSA-N	-1	0	396.381	0.576	20	5		GCBDRM
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000436961799	1195049841	/nfs/dbraw/zinc/04/98/41/1195049841.db2.gz	MYIHIYDFJWKSLR-ZDUSSCGKSA-N	-1	0	394.428	0.599	20	5		GCBDRM
O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1)Nc1nncs1	ZINC000436974167	1195051784	/nfs/dbraw/zinc/05/17/84/1195051784.db2.gz	WULVPDKDWORQPX-UHFFFAOYSA-N	-1	0	392.397	0.548	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000516613887	1195076399	/nfs/dbraw/zinc/07/63/99/1195076399.db2.gz	ARMLESPAVNSEIZ-LLVKDONJSA-N	-1	0	384.370	0.540	20	5		GCBDRM
CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)N1CCOCC1	ZINC000437321663	1195096095	/nfs/dbraw/zinc/09/60/95/1195096095.db2.gz	GYIKJIBGZUJXSV-CYBMUJFWSA-N	-1	0	389.405	0.896	20	5		GCBDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1[N+](=O)[O-]	ZINC000473728551	1195450420	/nfs/dbraw/zinc/45/04/20/1195450420.db2.gz	JNYJBEIIXOEPDT-BXUZGUMPSA-N	-1	0	387.352	0.783	20	5		GCBDRM
COC(=O)[C@@H](C)NC(=O)c1ccc(NCCCc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000427384961	1195533993	/nfs/dbraw/zinc/53/39/93/1195533993.db2.gz	QQWMLBVHEKPPEK-SECBINFHSA-N	-1	0	392.372	0.755	20	5		GCBDRM
CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000546263502	1195619437	/nfs/dbraw/zinc/61/94/37/1195619437.db2.gz	ZOOWZDDSJFYIGB-NSHDSACASA-N	-1	0	385.398	0.891	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(N3CC[C@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)CC1	ZINC000262163307	1195994334	/nfs/dbraw/zinc/99/43/34/1195994334.db2.gz	SZKSEMTYVWLZCU-LBPRGKRZSA-N	-1	0	398.441	0.442	20	5		GCBDRM
NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)o1	ZINC000474190648	1196098824	/nfs/dbraw/zinc/09/88/24/1196098824.db2.gz	PHDZHHJAHTUGPP-UHFFFAOYSA-N	-1	0	383.338	0.536	20	5		GCBDRM
COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3[nH]nc(C)c3[N+](=O)[O-])C2=O)c1	ZINC000281125245	1196278604	/nfs/dbraw/zinc/27/86/04/1196278604.db2.gz	ILRZMSFUOIDWSL-INIZCTEOSA-N	-1	0	388.340	0.747	20	5		GCBDRM
COc1cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000281405274	1196294097	/nfs/dbraw/zinc/29/40/97/1196294097.db2.gz	XBNJNAYSPIAVNL-NSHDSACASA-N	-1	0	397.384	0.957	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)ccc1[N+](=O)[O-]	ZINC000523730957	1196554774	/nfs/dbraw/zinc/55/47/74/1196554774.db2.gz	QGSNKGPVMCHOQV-UHFFFAOYSA-N	-1	0	392.393	0.919	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1(c2nnn[n-]2)CCCC1	ZINC000524579269	1196607857	/nfs/dbraw/zinc/60/78/57/1196607857.db2.gz	PXHUODHXELIXEM-UHFFFAOYSA-N	-1	0	387.356	0.419	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1[N+](=O)[O-]	ZINC000447632247	1196735537	/nfs/dbraw/zinc/73/55/37/1196735537.db2.gz	GSANAUFDMOQXKA-UHFFFAOYSA-N	-1	0	391.369	0.523	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C	ZINC000530488276	1196992119	/nfs/dbraw/zinc/99/21/19/1196992119.db2.gz	CACLQGRNMJENMP-CYBMUJFWSA-N	-1	0	384.370	0.750	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C	ZINC000530541374	1196994318	/nfs/dbraw/zinc/99/43/18/1196994318.db2.gz	ZBQZGJDOHXGRPS-CYBMUJFWSA-N	-1	0	384.370	0.750	20	5		GCBDRM
COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1	ZINC000760184109	1197202945	/nfs/dbraw/zinc/20/29/45/1197202945.db2.gz	VEQUFIKSCGGQDY-UHFFFAOYSA-N	-1	0	395.349	0.904	20	5		GCBDRM
CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1	ZINC000263014284	1197221228	/nfs/dbraw/zinc/22/12/28/1197221228.db2.gz	LTHVHOMICBUNNE-CHWSQXEVSA-N	-1	0	375.341	0.880	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000170307528	1197252724	/nfs/dbraw/zinc/25/27/24/1197252724.db2.gz	WKBSNXIXHPJVKO-CMPLNLGQSA-N	-1	0	383.382	0.291	20	5		GCBDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000263328027	1197260086	/nfs/dbraw/zinc/26/00/86/1197260086.db2.gz	KXQGJKHVQFZRBO-RYUDHWBXSA-N	-1	0	399.425	0.785	20	5		GCBDRM
O=C([O-])C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000532874784	1197416991	/nfs/dbraw/zinc/41/69/91/1197416991.db2.gz	PYLSTBWYJVFOMC-LBPRGKRZSA-N	-1	0	399.425	0.977	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c([N+](=O)[O-])c1	ZINC000533113865	1197433380	/nfs/dbraw/zinc/43/33/80/1197433380.db2.gz	VJCMAKJZKPHLNK-JTQLQIEISA-N	-1	0	391.413	0.705	20	5		GCBDRM
Cn1cc(C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cn1	ZINC000547894936	1197542601	/nfs/dbraw/zinc/54/26/01/1197542601.db2.gz	CMZLYAJPTCNYDQ-JTQLQIEISA-N	-1	0	386.361	0.689	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c1	ZINC000273720445	1199062530	/nfs/dbraw/zinc/06/25/30/1199062530.db2.gz	MIPPLMMQLLCNPY-STQMWFEESA-N	-1	0	383.382	0.725	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@]12CCOC2	ZINC000766012978	1199917059	/nfs/dbraw/zinc/91/70/59/1199917059.db2.gz	MJWMDSLVSCAAKV-GOEBONIOSA-N	-1	0	384.410	0.890	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@]12CCOC2	ZINC000766012977	1199917310	/nfs/dbraw/zinc/91/73/10/1199917310.db2.gz	MJWMDSLVSCAAKV-GDBMZVCRSA-N	-1	0	384.410	0.890	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1	ZINC000567113762	1200749448	/nfs/dbraw/zinc/74/94/48/1200749448.db2.gz	PPIVINPZNWIHFQ-ZYHUDNBSSA-N	-1	0	386.430	1.516	20	5		GCBDRM
COC(=O)c1ccc([N+](=O)[O-])c([N-]c2ccn(CCN3CCOCC3)n2)n1	ZINC000567482461	1200836933	/nfs/dbraw/zinc/83/69/33/1200836933.db2.gz	NXJHVVRUVMSOIW-UHFFFAOYSA-N	-1	0	376.373	1.049	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)c([N+](=O)[O-])n1	ZINC000611107504	1201216764	/nfs/dbraw/zinc/21/67/64/1201216764.db2.gz	ZGQYBZCTDPEWFX-LLVKDONJSA-N	-1	0	394.413	0.399	20	5		GCBDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000729913646	1201419401	/nfs/dbraw/zinc/41/94/01/1201419401.db2.gz	YZXJIJDSDUSIIK-UHFFFAOYSA-N	-1	0	386.386	0.021	20	5		GCBDRM
C[C@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000729908572	1201419515	/nfs/dbraw/zinc/41/95/15/1201419515.db2.gz	STOOMFGQZKVJFH-JTQLQIEISA-N	-1	0	380.386	0.389	20	5		GCBDRM
C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000729908487	1201419670	/nfs/dbraw/zinc/41/96/70/1201419670.db2.gz	HHPBZKDMLKTUNI-LLVKDONJSA-N	-1	0	379.398	0.994	20	5		GCBDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000729911889	1201419760	/nfs/dbraw/zinc/41/97/60/1201419760.db2.gz	GBLIFFJBUPTQGU-UHFFFAOYSA-N	-1	0	386.430	0.746	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000730656154	1201458265	/nfs/dbraw/zinc/45/82/65/1201458265.db2.gz	FCDHPRHEKJDJCC-UHFFFAOYSA-N	-1	0	397.307	0.773	20	5		GCBDRM
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000731880657	1201507336	/nfs/dbraw/zinc/50/73/36/1201507336.db2.gz	UJSIOLQXAJSDKA-AWEZNQCLSA-N	-1	0	389.372	0.158	20	5		GCBDRM
CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732507005	1201546732	/nfs/dbraw/zinc/54/67/32/1201546732.db2.gz	YYYFINPJHKGMRB-JTQLQIEISA-N	-1	0	389.386	0.275	20	5		GCBDRM
Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O	ZINC000733686136	1201603252	/nfs/dbraw/zinc/60/32/52/1201603252.db2.gz	CLVVTJMDVKNYLE-UHFFFAOYSA-N	-1	0	382.310	0.320	20	5		GCBDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	ZINC000733716397	1201604578	/nfs/dbraw/zinc/60/45/78/1201604578.db2.gz	HWJAHFPCHLBMNY-SECBINFHSA-N	-1	0	383.386	0.578	20	5		GCBDRM
Cc1nn2c([n-]nc2SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nc1=O	ZINC000734234681	1201646223	/nfs/dbraw/zinc/64/62/23/1201646223.db2.gz	BHNASQWJLMGEDI-UHFFFAOYSA-N	-1	0	389.353	0.078	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CNC2=O)ccc1[N+](=O)[O-]	ZINC000734737812	1201661460	/nfs/dbraw/zinc/66/14/60/1201661460.db2.gz	WEGUYQVZVCPNIY-UHFFFAOYSA-N	-1	0	384.370	0.040	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21	ZINC000741113812	1201757648	/nfs/dbraw/zinc/75/76/48/1201757648.db2.gz	SAFUQBSLIBESNA-UHFFFAOYSA-N	-1	0	398.788	0.988	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000741113966	1201757697	/nfs/dbraw/zinc/75/76/97/1201757697.db2.gz	ARLNIVZNMUPOEJ-UHFFFAOYSA-N	-1	0	379.398	0.995	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1	ZINC000744005585	1201833092	/nfs/dbraw/zinc/83/30/92/1201833092.db2.gz	SJVDBMFPIRFTKU-UHFFFAOYSA-N	-1	0	388.365	0.998	20	5		GCBDRM
CCS(=O)(=O)NC1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000746314791	1201908162	/nfs/dbraw/zinc/90/81/62/1201908162.db2.gz	FLQMVSIJIZHZFV-UHFFFAOYSA-N	-1	0	385.398	0.837	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)c1ccsc1	ZINC000766447610	1201924084	/nfs/dbraw/zinc/92/40/84/1201924084.db2.gz	WMDWELNIRLWUGV-UHFFFAOYSA-N	-1	0	397.390	0.887	20	5		GCBDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cnn1C1CCOCC1	ZINC000766658716	1201942095	/nfs/dbraw/zinc/94/20/95/1201942095.db2.gz	JTBISDILALVRQQ-UHFFFAOYSA-N	-1	0	395.397	0.965	20	5		GCBDRM
C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2[N+](=O)[O-])C1	ZINC000766909173	1201960661	/nfs/dbraw/zinc/96/06/61/1201960661.db2.gz	HNCYHXJBEKHOEO-GHMZBOCLSA-N	-1	0	398.441	0.622	20	5		GCBDRM
C[C@H]1C[C@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2[N+](=O)[O-])C1	ZINC000766909180	1201960708	/nfs/dbraw/zinc/96/07/08/1201960708.db2.gz	HNCYHXJBEKHOEO-QWRGUYRKSA-N	-1	0	398.441	0.622	20	5		GCBDRM
NC(=O)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	ZINC000766924672	1201961570	/nfs/dbraw/zinc/96/15/70/1201961570.db2.gz	XPJNHRNVZSYVHO-UHFFFAOYSA-N	-1	0	379.350	0.932	20	5		GCBDRM
Cc1nn(Cc2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2)c(C)c1[N+](=O)[O-]	ZINC000766927737	1201961584	/nfs/dbraw/zinc/96/15/84/1201961584.db2.gz	XHMBCUINILFCIV-UHFFFAOYSA-N	-1	0	395.397	0.001	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1cccnc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000766903910	1201962391	/nfs/dbraw/zinc/96/23/91/1201962391.db2.gz	CFAPVVXHEDPBNU-UHFFFAOYSA-N	-1	0	388.365	0.830	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	ZINC000768217824	1202007606	/nfs/dbraw/zinc/00/76/06/1202007606.db2.gz	WKKGIMCURVVPOT-UHFFFAOYSA-N	-1	0	385.398	0.659	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]N2CC(=O)N(C)C2=O)cc1OC	ZINC000770451437	1202099409	/nfs/dbraw/zinc/09/94/09/1202099409.db2.gz	COSZKNQYTNNULW-UHFFFAOYSA-N	-1	0	382.329	0.167	20	5		GCBDRM
CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000770617814	1202105597	/nfs/dbraw/zinc/10/55/97/1202105597.db2.gz	GOIALBQGEYJQEA-JTQLQIEISA-N	-1	0	388.402	0.495	20	5		GCBDRM
COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1=O	ZINC000770728939	1202108630	/nfs/dbraw/zinc/10/86/30/1202108630.db2.gz	YHVQUYUNQPRTOU-VIFPVBQESA-N	-1	0	389.361	0.034	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1	ZINC000770807392	1202114200	/nfs/dbraw/zinc/11/42/00/1202114200.db2.gz	GNVYGLHYRPEZKY-UHFFFAOYSA-N	-1	0	396.381	0.371	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12	ZINC000789476381	1205440515	/nfs/dbraw/zinc/44/05/15/1205440515.db2.gz	AFFDGDCKEKOEDS-UHFFFAOYSA-N	-1	0	377.338	0.770	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1	ZINC000789481363	1205441360	/nfs/dbraw/zinc/44/13/60/1205441360.db2.gz	WBLUAJKRWZKAOJ-UHFFFAOYSA-N	-1	0	398.426	0.822	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)c([N+](=O)[O-])c1	ZINC000793117267	1205496569	/nfs/dbraw/zinc/49/65/69/1205496569.db2.gz	LAVLEWZUVDLGFJ-UHFFFAOYSA-N	-1	0	384.370	0.359	20	5		GCBDRM
COC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOCC1	ZINC000793143943	1205496586	/nfs/dbraw/zinc/49/65/86/1205496586.db2.gz	WIOHJCYDYBJDNK-UHFFFAOYSA-N	-1	0	389.342	0.504	20	5		GCBDRM
Cn1nccc1COCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000793179287	1205496761	/nfs/dbraw/zinc/49/67/61/1205496761.db2.gz	UBASSHOCNFCTPR-UHFFFAOYSA-N	-1	0	382.398	0.534	20	5		GCBDRM
CNc1c(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2OC)cccc1[N+](=O)[O-]	ZINC000793277480	1205497622	/nfs/dbraw/zinc/49/76/22/1205497622.db2.gz	NZPZJTQREXOGOD-UHFFFAOYSA-N	-1	0	383.386	0.806	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)cc([N+](=O)[O-])c1	ZINC000793317951	1205498132	/nfs/dbraw/zinc/49/81/32/1205498132.db2.gz	MQXWXXRLHAINLG-UHFFFAOYSA-N	-1	0	399.406	0.653	20	5		GCBDRM
Cc1nc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)nn1C	ZINC000794076333	1205511325	/nfs/dbraw/zinc/51/13/25/1205511325.db2.gz	SUQHYETYMDTRJX-UHFFFAOYSA-N	-1	0	382.358	0.789	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CO[C@@H](C)c2nccn2C)c([N+](=O)[O-])c1	ZINC000805844646	1205545639	/nfs/dbraw/zinc/54/56/39/1205545639.db2.gz	ATICKAGDZBMQQW-JTQLQIEISA-N	-1	0	398.397	0.920	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CO[C@H](C)c2nccn2C)c([N+](=O)[O-])c1	ZINC000805844647	1205545684	/nfs/dbraw/zinc/54/56/84/1205545684.db2.gz	ATICKAGDZBMQQW-SNVBAGLBSA-N	-1	0	398.397	0.920	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	ZINC000809031516	1205616638	/nfs/dbraw/zinc/61/66/38/1205616638.db2.gz	HGLWRNALDVKGIP-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cn(C2CCOCC2)nn1	ZINC000810634808	1205640848	/nfs/dbraw/zinc/64/08/48/1205640848.db2.gz	XAVNNDWRYSMLJX-UHFFFAOYSA-N	-1	0	399.360	0.796	20	5		GCBDRM
Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CC2	ZINC000810631353	1205640889	/nfs/dbraw/zinc/64/08/89/1205640889.db2.gz	SMPQQAHAYZBJLV-LBPRGKRZSA-N	-1	0	393.425	0.517	20	5		GCBDRM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccnn1C	ZINC000828133370	1205663825	/nfs/dbraw/zinc/66/38/25/1205663825.db2.gz	YMHNHFMYAVPCFQ-ZDUSSCGKSA-N	-1	0	384.370	0.530	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1C	ZINC000813954536	1205682033	/nfs/dbraw/zinc/68/20/33/1205682033.db2.gz	DUPROXUCCBKRQF-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1	ZINC000813949344	1205683307	/nfs/dbraw/zinc/68/33/07/1205683307.db2.gz	STSDZAHTELHCGW-UHFFFAOYSA-N	-1	0	395.397	0.215	20	5		GCBDRM
COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1F	ZINC001173178888	1205718907	/nfs/dbraw/zinc/71/89/07/1205718907.db2.gz	NGIKJRMCJBLFOO-UPFKWVMWSA-N	-1	0	391.377	0.665	20	5		GCBDRM
O=C([O-])c1ccc(Nc2cc(N3CCN(CCO)CC3)ncn2)cc1[N+](=O)[O-]	ZINC001174503082	1205730837	/nfs/dbraw/zinc/73/08/37/1205730837.db2.gz	CBIMKGNVAHBLKT-UHFFFAOYSA-N	-1	0	388.384	0.941	20	5		GCBDRM
O=C([O-])c1cc(Nc2cc(N3CCN(CCO)CC3)ncn2)cc([N+](=O)[O-])c1	ZINC001176675473	1205751751	/nfs/dbraw/zinc/75/17/51/1205751751.db2.gz	ZAEVEOPXPINROM-UHFFFAOYSA-N	-1	0	388.384	0.941	20	5		GCBDRM
Cc1ccn(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)c1	ZINC000774063205	1205861244	/nfs/dbraw/zinc/86/12/44/1205861244.db2.gz	JZJTWAYCEPYCLI-UHFFFAOYSA-N	-1	0	396.337	0.478	20	5		GCBDRM
Cc1ccn(CC(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c(=O)c1	ZINC000774146458	1205863659	/nfs/dbraw/zinc/86/36/59/1205863659.db2.gz	HRGUVYGSXHYQSJ-UHFFFAOYSA-N	-1	0	379.394	0.754	20	5		GCBDRM
COc1c(S(=O)(=O)[N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])c(C)nn1C	ZINC000774222336	1205866584	/nfs/dbraw/zinc/86/65/84/1205866584.db2.gz	DFZKHAZSAREMNP-UHFFFAOYSA-N	-1	0	384.370	0.773	20	5		GCBDRM
COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)c1	ZINC000774404178	1205871268	/nfs/dbraw/zinc/87/12/68/1205871268.db2.gz	FBOCLEQXQMTMCO-UHFFFAOYSA-N	-1	0	384.370	0.704	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cc(OC)cc(OC)c2)n1	ZINC000774401263	1205871322	/nfs/dbraw/zinc/87/13/22/1205871322.db2.gz	SRBKRLIMZJWASJ-UHFFFAOYSA-N	-1	0	384.370	0.947	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1	ZINC000780405461	1205879271	/nfs/dbraw/zinc/87/92/71/1205879271.db2.gz	HLNKKBKTLDJFQC-UHFFFAOYSA-N	-1	0	390.381	0.692	20	5		GCBDRM
O=C(OCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000774950541	1205930121	/nfs/dbraw/zinc/93/01/21/1205930121.db2.gz	ULJIKDVFNFQZEZ-NSHDSACASA-N	-1	0	397.369	0.315	20	5		GCBDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC001187392315	1205962487	/nfs/dbraw/zinc/96/24/87/1205962487.db2.gz	QUJXUDJRTVZHBN-LBPRGKRZSA-N	-1	0	396.347	0.890	20	5		GCBDRM
Cc1nccc(N2CCN(S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)n1	ZINC001189071278	1205994474	/nfs/dbraw/zinc/99/44/74/1205994474.db2.gz	AVYQKHLUCHPWHI-UHFFFAOYSA-N	-1	0	379.398	0.910	20	5		GCBDRM
O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@H]1CS(=O)(=O)c2ccccc21	ZINC001190603903	1206039988	/nfs/dbraw/zinc/03/99/88/1206039988.db2.gz	RKYNPTIZTSKGLF-JTQLQIEISA-N	-1	0	383.407	0.839	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCO2	ZINC000562648952	939336958	/nfs/dbraw/zinc/33/69/58/939336958.db2.gz	WXMVIZHINCBSBK-CQSZACIVSA-N	-1	0	375.341	0.851	20	5		GCBDRM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000592469525	939801559	/nfs/dbraw/zinc/80/15/59/939801559.db2.gz	SXUPFEXYEMGGRV-TVQRCGJNSA-N	-1	0	375.341	0.389	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCOCC1	ZINC000597160379	939802923	/nfs/dbraw/zinc/80/29/23/939802923.db2.gz	BHBRRXJYOZNQEF-AWEZNQCLSA-N	-1	0	375.341	0.785	20	5		GCBDRM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000597161778	939803163	/nfs/dbraw/zinc/80/31/63/939803163.db2.gz	OHMXOGUXAZLRTE-YGRLFVJLSA-N	-1	0	379.369	0.709	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)ccc1[N+](=O)[O-]	ZINC000597161913	939803592	/nfs/dbraw/zinc/80/35/92/939803592.db2.gz	PCKYUCOTCDBXBR-OAHLLOKOSA-N	-1	0	379.369	0.629	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCOCC1	ZINC000597163011	939803660	/nfs/dbraw/zinc/80/36/60/939803660.db2.gz	ZWGQYAVDLJCDHO-CQSZACIVSA-N	-1	0	375.341	0.785	20	5		GCBDRM
CC(=O)NCCNC(=O)CCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600879158	939806390	/nfs/dbraw/zinc/80/63/90/939806390.db2.gz	VOJTUSOUFDBFGI-QGZVFWFLSA-N	-1	0	394.384	0.043	20	5		GCBDRM
C[C@@](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600882691	939807145	/nfs/dbraw/zinc/80/71/45/939807145.db2.gz	UVMHUOSQANCMFP-ZBEGNZNMSA-N	-1	0	399.425	0.682	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1	ZINC000826211458	947618433	/nfs/dbraw/zinc/61/84/33/947618433.db2.gz	FLQOTXDGXIVYRM-UHFFFAOYSA-N	-1	0	393.341	0.230	20	5		GCBDRM
O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000364399566	971540970	/nfs/dbraw/zinc/54/09/70/971540970.db2.gz	JPUAZELKACUOOR-VIFPVBQESA-N	-1	0	388.354	0.230	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C	ZINC000263349897	950393316	/nfs/dbraw/zinc/39/33/16/950393316.db2.gz	VFFQXUWZMMFBBE-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O	ZINC001595089150	951756164	/nfs/dbraw/zinc/75/61/64/951756164.db2.gz	AFEJHVGTZKHVID-CYBMUJFWSA-N	-1	0	389.368	0.526	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1=O	ZINC001595095891	951812367	/nfs/dbraw/zinc/81/23/67/951812367.db2.gz	BBMDCENPEUQIBJ-CYBMUJFWSA-N	-1	0	399.425	0.522	20	5		GCBDRM
O=C([O-])CNC(=O)COc1cc([N+](=O)[O-])ccc1I	ZINC001595099028	951847219	/nfs/dbraw/zinc/84/72/19/951847219.db2.gz	GWEIRELBGPIEAK-UHFFFAOYSA-N	-1	0	380.094	0.779	20	5		GCBDRM
C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000427704758	953494938	/nfs/dbraw/zinc/49/49/38/953494938.db2.gz	FOQSDVKNVZREDA-GWCFXTLKSA-N	-1	0	385.398	0.727	20	5		GCBDRM
C[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000427704859	953495452	/nfs/dbraw/zinc/49/54/52/953495452.db2.gz	FOQSDVKNVZREDA-GXFFZTMASA-N	-1	0	385.398	0.727	20	5		GCBDRM
C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000566235470	953624250	/nfs/dbraw/zinc/62/42/50/953624250.db2.gz	UBYXKLAAGKCQJA-SMDDNHRTSA-N	-1	0	399.425	0.785	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CCO[C@](COC)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001593641056	953645386	/nfs/dbraw/zinc/64/53/86/953645386.db2.gz	WRZLMQNFHKBDIR-OAHLLOKOSA-N	-1	0	388.398	0.648	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000581074730	953716042	/nfs/dbraw/zinc/71/60/42/953716042.db2.gz	PFZQLHSZCFTORW-AWEZNQCLSA-N	-1	0	399.425	0.785	20	5		GCBDRM
Nc1c(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cc(F)cc1[N+](=O)[O-]	ZINC000593920352	953757139	/nfs/dbraw/zinc/75/71/39/953757139.db2.gz	CVUUAAVJHHLPCS-VIFPVBQESA-N	-1	0	394.359	0.854	20	5		GCBDRM
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001593714741	954200793	/nfs/dbraw/zinc/20/07/93/954200793.db2.gz	KIPZVMSZLVOFCD-ZDUSSCGKSA-N	-1	0	378.385	0.856	20	5		GCBDRM
CC(C)(NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000737596044	955221456	/nfs/dbraw/zinc/22/14/56/955221456.db2.gz	FMQHSJZWSZCLET-NSHDSACASA-N	-1	0	399.425	0.975	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1	ZINC001593974983	956656392	/nfs/dbraw/zinc/65/63/92/956656392.db2.gz	SKSFOJHYFHQFDD-KRWDZBQOSA-N	-1	0	395.368	0.043	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CCO1	ZINC001593982936	956725690	/nfs/dbraw/zinc/72/56/90/956725690.db2.gz	DOAKCXPLRCDRDM-CQSZACIVSA-N	-1	0	392.361	0.533	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCO1	ZINC001593983406	956731250	/nfs/dbraw/zinc/73/12/50/956731250.db2.gz	HPMXEASQIZMRBP-OAHLLOKOSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CCO1	ZINC001593983927	956739628	/nfs/dbraw/zinc/73/96/28/956739628.db2.gz	MCPGWUDJAUCOAB-OAHLLOKOSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1	ZINC001593984816	956755641	/nfs/dbraw/zinc/75/56/41/956755641.db2.gz	AKSYNGJOXJOHSU-OAHLLOKOSA-N	-1	0	387.776	0.989	20	5		GCBDRM
C[C@](CO)(NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1	ZINC001603203326	972313511	/nfs/dbraw/zinc/31/35/11/972313511.db2.gz	ZHKHZFRTRIIOLH-SUMWQHHRSA-N	-1	0	379.369	0.242	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001594112706	958533744	/nfs/dbraw/zinc/53/37/44/958533744.db2.gz	KNHCFFLRFNIKPI-GFCCVEGCSA-N	-1	0	381.366	0.973	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001594174820	959032896	/nfs/dbraw/zinc/03/28/96/959032896.db2.gz	RIHCDBBWFRSAMI-VFZGTOFNSA-N	-1	0	384.366	0.172	20	5		GCBDRM
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001594469502	959541266	/nfs/dbraw/zinc/54/12/66/959541266.db2.gz	HLHPDSNQMGKZOS-KOLCDFICSA-N	-1	0	393.322	0.696	20	5		GCBDRM
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594469501	959541540	/nfs/dbraw/zinc/54/15/40/959541540.db2.gz	HLHPDSNQMGKZOS-GXSJLCMTSA-N	-1	0	393.322	0.696	20	5		GCBDRM
O=C([O-])[C@@H](O)CCNC(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000236538293	960702882	/nfs/dbraw/zinc/70/28/82/960702882.db2.gz	UEEGPCKOEQJQQZ-VIFPVBQESA-N	-1	0	394.121	0.765	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001330166228	961328571	/nfs/dbraw/zinc/32/85/71/961328571.db2.gz	VJAGQDHJDUNFOD-MRXNPFEDSA-N	-1	0	399.425	0.453	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001330166227	961329150	/nfs/dbraw/zinc/32/91/50/961329150.db2.gz	VJAGQDHJDUNFOD-INIZCTEOSA-N	-1	0	399.425	0.453	20	5		GCBDRM
CCCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262272812	961608165	/nfs/dbraw/zinc/60/81/65/961608165.db2.gz	IWZGZMGLUQQOTR-CYBMUJFWSA-N	-1	0	387.414	0.975	20	5		GCBDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263188361	962344157	/nfs/dbraw/zinc/34/41/57/962344157.db2.gz	XNAPOVHOLOGUCS-MFKMUULPSA-N	-1	0	385.398	0.585	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC001574649281	962414229	/nfs/dbraw/zinc/41/42/29/962414229.db2.gz	YOMFIKKQZRGUTO-MLGOLLRUSA-N	-1	0	391.380	0.552	20	5		GCBDRM
O=C([O-])C1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1	ZINC001574656496	962464362	/nfs/dbraw/zinc/46/43/62/962464362.db2.gz	DJPYYJUGBPEZBF-LLVKDONJSA-N	-1	0	397.409	0.539	20	5		GCBDRM
COc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F	ZINC001574177012	962790830	/nfs/dbraw/zinc/79/08/30/962790830.db2.gz	DAOIFCSAYJDVJX-SNVBAGLBSA-N	-1	0	376.318	0.066	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1	ZINC000263358377	967878583	/nfs/dbraw/zinc/87/85/83/967878583.db2.gz	RKSCVQCHAOHHBR-MNOVXSKESA-N	-1	0	377.353	0.889	20	5		GCBDRM
C[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000427675856	968370302	/nfs/dbraw/zinc/37/03/02/968370302.db2.gz	BDYPIAXKOJNPPO-NEPJUHHUSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC000566561018	968430948	/nfs/dbraw/zinc/43/09/48/968430948.db2.gz	BSEQVHUMCWKWMZ-SMDDNHRTSA-N	-1	0	399.425	0.832	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000567266130	968432875	/nfs/dbraw/zinc/43/28/75/968432875.db2.gz	JYOFLGVFRACJPS-AWEZNQCLSA-N	-1	0	384.414	0.511	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C(=O)C(=O)[O-])CC1	ZINC000578364818	968466857	/nfs/dbraw/zinc/46/68/57/968466857.db2.gz	JQVBJYGJIAWMSP-JTQLQIEISA-N	-1	0	380.357	0.159	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O	ZINC001606048156	973155579	/nfs/dbraw/zinc/15/55/79/973155579.db2.gz	RAIIRHBDOGOQNX-LLVKDONJSA-N	-1	0	385.279	0.345	20	5		GCBDRM
CO[C@H](C(=O)[O-])C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC001604423331	973199637	/nfs/dbraw/zinc/19/96/37/973199637.db2.gz	YRWJFXAXGZDRPB-ZDUSSCGKSA-N	-1	0	377.357	0.609	20	5		GCBDRM
O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1	ZINC001606108222	973303894	/nfs/dbraw/zinc/30/38/94/973303894.db2.gz	QEHPXPKQNYLPCC-TZMCWYRMSA-N	-1	0	378.385	0.908	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1	ZINC001604536002	973509234	/nfs/dbraw/zinc/50/92/34/973509234.db2.gz	SXWZUXJFZRCWDJ-HNNXBMFYSA-N	-1	0	386.382	0.562	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC001606259608	973620328	/nfs/dbraw/zinc/62/03/28/973620328.db2.gz	VNKIUKPPQAGOTC-ZDUSSCGKSA-N	-1	0	385.398	0.480	20	5		GCBDRM
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001604628585	973749807	/nfs/dbraw/zinc/74/98/07/973749807.db2.gz	AFZOXOXGIDVZCW-UHFFFAOYSA-N	-1	0	397.409	0.702	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001604762756	973978111	/nfs/dbraw/zinc/97/81/11/973978111.db2.gz	ONCWSCNWZOJJIM-JQWIXIFHSA-N	-1	0	379.369	0.902	20	5		GCBDRM
O=C([O-])c1cnc(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c([N+](=O)[O-])c1	ZINC000568399163	974669933	/nfs/dbraw/zinc/66/99/33/974669933.db2.gz	BVDKWTYDLGWLET-JTQLQIEISA-N	-1	0	384.414	0.986	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1	ZINC000575431293	974800036	/nfs/dbraw/zinc/80/00/36/974800036.db2.gz	ZXOQDNUKQPPZOT-KGLIPLIRSA-N	-1	0	379.369	0.805	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cnccn2)CC1	ZINC000581820391	974915592	/nfs/dbraw/zinc/91/55/92/974915592.db2.gz	CJXUGTSQKSETRI-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1	ZINC000591567808	974971804	/nfs/dbraw/zinc/97/18/04/974971804.db2.gz	OLLAWRQEHFIILS-AWEZNQCLSA-N	-1	0	377.353	0.398	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000591654402	974971929	/nfs/dbraw/zinc/97/19/29/974971929.db2.gz	CBDHRYYINAAUID-INIZCTEOSA-N	-1	0	381.341	0.828	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C(=O)[O-])C1	ZINC000595246474	974993895	/nfs/dbraw/zinc/99/38/95/974993895.db2.gz	BLORCYHZMLVAFH-OCCSQVGLSA-N	-1	0	375.341	0.880	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc([N+](=O)[O-])c1	ZINC000597159157	975000316	/nfs/dbraw/zinc/00/03/16/975000316.db2.gz	IDXBYMDPCNCJBD-CYBMUJFWSA-N	-1	0	397.409	0.933	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000600657220	975003911	/nfs/dbraw/zinc/00/39/11/975003911.db2.gz	GNYNTYHGWFASIC-SECBINFHSA-N	-1	0	394.308	0.864	20	5		GCBDRM
O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000603833024	975014706	/nfs/dbraw/zinc/01/47/06/975014706.db2.gz	DZBXESHZIDOPEP-UHFFFAOYSA-N	-1	0	381.370	0.527	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1	ZINC000615778729	975022325	/nfs/dbraw/zinc/02/23/25/975022325.db2.gz	UAQJXQAXMIKZLL-ZJUUUORDSA-N	-1	0	383.382	0.573	20	5		GCBDRM
O=C([O-])C[C@@]1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCCOC1	ZINC000823344189	978934407	/nfs/dbraw/zinc/93/44/07/978934407.db2.gz	ADIJDBMHOPGDKU-INIZCTEOSA-N	-1	0	375.341	0.929	20	5		GCBDRM
C[C@H](CS(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001592799897	979455405	/nfs/dbraw/zinc/45/54/05/979455405.db2.gz	HFEJMIYOSRPATN-LLVKDONJSA-N	-1	0	385.398	0.403	20	5		GCBDRM
CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC001595174920	979760089	/nfs/dbraw/zinc/76/00/89/979760089.db2.gz	ZEYNEKMBFBQXEQ-NSHDSACASA-N	-1	0	387.414	0.370	20	5		GCBDRM
CC[C@](COC)(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC001595193758	979891238	/nfs/dbraw/zinc/89/12/38/979891238.db2.gz	BEUYLWALLBTACH-GOSISDBHSA-N	-1	0	394.428	0.713	20	5		GCBDRM
C[C@@](NC(=O)C1CC2(C1)CS(=O)(=O)C2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593002647	980216231	/nfs/dbraw/zinc/21/62/31/980216231.db2.gz	JOWQTRRBEGHDEI-HNNXBMFYSA-N	-1	0	382.394	0.836	20	5		GCBDRM
C[C@](NC(=O)CCN1C(=O)CCNC1=S)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593018925	980265951	/nfs/dbraw/zinc/26/59/51/980265951.db2.gz	BGSCVKPWYZJHHY-MRXNPFEDSA-N	-1	0	394.409	0.508	20	5		GCBDRM
CC[C@@H](C)[C@H](NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001594894632	982324920	/nfs/dbraw/zinc/32/49/20/982324920.db2.gz	WNEMZPQTPRLTAP-DOMZBBRYSA-N	-1	0	379.417	0.727	20	5		GCBDRM
CCCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC001595815672	982665429	/nfs/dbraw/zinc/66/54/29/982665429.db2.gz	CMWOYDIXAOQZII-LLVKDONJSA-N	-1	0	387.414	0.927	20	5		GCBDRM
CCCN1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1=O	ZINC001595900588	982952506	/nfs/dbraw/zinc/95/25/06/982952506.db2.gz	AGJIXFZOWDMOQB-SNVBAGLBSA-N	-1	0	385.398	0.830	20	5		GCBDRM
CN(CC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)c1ccccc1[N+](=O)[O-]	ZINC001118913918	982966910	/nfs/dbraw/zinc/96/69/10/982966910.db2.gz	NGAHHGIMRTVZLG-SFHVURJKSA-N	-1	0	392.412	0.419	20	5		GCBDRM
CCNC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001596468818	984191834	/nfs/dbraw/zinc/19/18/34/984191834.db2.gz	WHUMALYXCVMAQJ-LLVKDONJSA-N	-1	0	393.400	0.649	20	5		GCBDRM
CCOC(=O)C1CCN(C(=O)CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001596576329	984483684	/nfs/dbraw/zinc/48/36/84/984483684.db2.gz	JKYRDYPEJHHVCS-UHFFFAOYSA-N	-1	0	394.384	0.926	20	5		GCBDRM
CC(=O)N1CCCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001589075185	985227430	/nfs/dbraw/zinc/22/74/30/985227430.db2.gz	JIAJCTGOMQCALD-NSHDSACASA-N	-1	0	378.385	0.856	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)NOCCCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001589085311	985255294	/nfs/dbraw/zinc/25/52/94/985255294.db2.gz	NVQUDARIFJDQKV-UHFFFAOYSA-N	-1	0	394.384	0.790	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C[C@H](C)N1CCO	ZINC001599931018	985314952	/nfs/dbraw/zinc/31/49/52/985314952.db2.gz	YKGVGCRFYPLOHQ-PHIMTYICSA-N	-1	0	387.414	0.369	20	5		GCBDRM
C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCN1CCC(=O)[O-]	ZINC001594494346	985626073	/nfs/dbraw/zinc/62/60/73/985626073.db2.gz	PHXBRFJJZVOULK-NSHDSACASA-N	-1	0	399.425	0.619	20	5		GCBDRM
C[C@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC001594525312	986034596	/nfs/dbraw/zinc/03/45/96/986034596.db2.gz	JMSGSNGEAMGXDH-JTQLQIEISA-N	-1	0	375.378	0.903	20	5		GCBDRM
C[C@H](C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1F	ZINC001589390761	986506877	/nfs/dbraw/zinc/50/68/77/986506877.db2.gz	ICNSSNJKKZECTR-VIFPVBQESA-N	-1	0	388.373	0.986	20	5		GCBDRM
C[C@@H](C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1F	ZINC001589390760	986506939	/nfs/dbraw/zinc/50/69/39/986506939.db2.gz	ICNSSNJKKZECTR-SECBINFHSA-N	-1	0	388.373	0.986	20	5		GCBDRM
C[C@@H]1OCC[C@]12CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CCO2	ZINC001594644032	986829132	/nfs/dbraw/zinc/82/91/32/986829132.db2.gz	ZWAYJLQIVGJGRC-BONVTDFDSA-N	-1	0	386.382	0.862	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001597563490	988315777	/nfs/dbraw/zinc/31/57/77/988315777.db2.gz	NVUBIFUHLKRYQY-NWDGAFQWSA-N	-1	0	386.382	0.652	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c([N+](=O)[O-])n1	ZINC001597898185	989765918	/nfs/dbraw/zinc/76/59/18/989765918.db2.gz	LQIDSUUYKDULAD-ZNSHCXBVSA-N	-1	0	388.402	0.595	20	5		GCBDRM
CN(C)C(=O)Cn1cc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cn1	ZINC001598135054	990583679	/nfs/dbraw/zinc/58/36/79/990583679.db2.gz	KBICJTYNSPGSBS-UHFFFAOYSA-N	-1	0	377.357	0.955	20	5		GCBDRM
CN(C)S(=O)(=O)c1ccc(N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c([N+](=O)[O-])c1	ZINC001598275712	991145428	/nfs/dbraw/zinc/14/54/28/991145428.db2.gz	JURXPFDRWNCNRB-UHFFFAOYSA-N	-1	0	395.397	0.870	20	5		GCBDRM
CN(C)S(=O)(=O)c1ccc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cc1	ZINC001598275901	991146468	/nfs/dbraw/zinc/14/64/68/991146468.db2.gz	PLGDRJHWHRABOO-UHFFFAOYSA-N	-1	0	381.366	0.753	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598380601	991584929	/nfs/dbraw/zinc/58/49/29/991584929.db2.gz	JUXNUQYTMMPQBW-BZNIZROVSA-N	-1	0	397.409	0.681	20	5		GCBDRM
CS(=O)(=O)[C@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001599746431	991935011	/nfs/dbraw/zinc/93/50/11/991935011.db2.gz	GHBBSIZUMUNUQS-LBPRGKRZSA-N	-1	0	399.425	0.813	20	5		GCBDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC001599762886	992146116	/nfs/dbraw/zinc/14/61/16/992146116.db2.gz	KSKUUGCXMNBYKP-TVQRCGJNSA-N	-1	0	376.774	0.866	20	5		GCBDRM
CC(C)NC(=O)CN(C)CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001591641186	992957218	/nfs/dbraw/zinc/95/72/18/992957218.db2.gz	LYTIOFOCRWJPCM-KRWDZBQOSA-N	-1	0	380.401	0.467	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1=O	ZINC001598563914	993119655	/nfs/dbraw/zinc/11/96/55/993119655.db2.gz	WMNSZEALZLRODM-SNVBAGLBSA-N	-1	0	386.158	0.725	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O	ZINC001598564242	993123904	/nfs/dbraw/zinc/12/39/04/993123904.db2.gz	YYLZELYYJAJARD-SNVBAGLBSA-N	-1	0	375.259	0.981	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN(CCCO)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593170295	994025806	/nfs/dbraw/zinc/02/58/06/994025806.db2.gz	KKBFKNHJJGDYPN-GFCCVEGCSA-N	-1	0	380.401	0.302	20	5		GCBDRM
C[C@@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@@H](C)C1	ZINC001593464242	995396970	/nfs/dbraw/zinc/39/69/70/995396970.db2.gz	ZLBWTSJLBFTNQY-WDEREUQCSA-N	-1	0	387.414	0.369	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC001598748892	995625497	/nfs/dbraw/zinc/62/54/97/995625497.db2.gz	CXMPDQWPFSURLM-WHOFXGATSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC001598753745	995688421	/nfs/dbraw/zinc/68/84/21/995688421.db2.gz	VPRGPRWLDYVQNU-GWCFXTLKSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC001598769358	995869324	/nfs/dbraw/zinc/86/93/24/995869324.db2.gz	UCZPEVAQCRQQJO-NWDGAFQWSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC001598784827	996020264	/nfs/dbraw/zinc/02/02/64/996020264.db2.gz	LUPLRSRLQPTBPV-CMPLNLGQSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1	ZINC001598785819	996028643	/nfs/dbraw/zinc/02/86/43/996028643.db2.gz	UMWUVHHMONROHX-JQWIXIFHSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C(=O)[O-]	ZINC001598808577	996209893	/nfs/dbraw/zinc/20/98/93/996209893.db2.gz	NHBPYNHJQCRHHJ-NEPJUHHUSA-N	-1	0	381.341	0.619	20	5		GCBDRM
COC(=O)[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC001598809409	996217347	/nfs/dbraw/zinc/21/73/47/996217347.db2.gz	QFTHBQPPFKISGN-STQMWFEESA-N	-1	0	381.341	0.489	20	5		GCBDRM
COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1C(=O)[O-]	ZINC001598814313	996256971	/nfs/dbraw/zinc/25/69/71/996256971.db2.gz	CBXKOINVMACRRG-ZJUUUORDSA-N	-1	0	383.332	0.746	20	5		GCBDRM
COC(=O)[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC001598822591	996345833	/nfs/dbraw/zinc/34/58/33/996345833.db2.gz	RFYZIPVESKRDKW-ZJUUUORDSA-N	-1	0	385.760	0.992	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C(=O)[O-]	ZINC001598824915	996371901	/nfs/dbraw/zinc/37/19/01/996371901.db2.gz	ITPHKVYODNUCAE-MNOVXSKESA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598827038	996393806	/nfs/dbraw/zinc/39/38/06/996393806.db2.gz	OZCWOQPUYPCASG-WDEREUQCSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COc1cc(Cn2cnc3c(cnn3CC(=O)[O-])c2=O)c([N+](=O)[O-])cc1F	ZINC001599421353	997601109	/nfs/dbraw/zinc/60/11/09/997601109.db2.gz	YACANVNPRNTKSJ-UHFFFAOYSA-N	-1	0	377.288	0.782	20	5		GCBDRM
COCCN1C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1=O	ZINC001599239669	998015403	/nfs/dbraw/zinc/01/54/03/998015403.db2.gz	IHYTVMAKBMOFER-GTNSWQLSSA-N	-1	0	379.369	0.506	20	5		GCBDRM
COC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-]	ZINC001599167527	998564571	/nfs/dbraw/zinc/56/45/71/998564571.db2.gz	KSHUEUBOUGVOPL-JSGCOSHPSA-N	-1	0	379.369	0.724	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1	ZINC001599065590	999296609	/nfs/dbraw/zinc/29/66/09/999296609.db2.gz	IGRMCXIUQNIHKX-BMLIUANNSA-N	-1	0	395.343	0.789	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1	ZINC001599065592	999296634	/nfs/dbraw/zinc/29/66/34/999296634.db2.gz	IGRMCXIUQNIHKX-DYZYQPBXSA-N	-1	0	395.343	0.789	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)C1	ZINC001599068829	999317354	/nfs/dbraw/zinc/31/73/54/999317354.db2.gz	SIUURTPRZGXFHC-OAHLLOKOSA-N	-1	0	399.306	0.735	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC000571348456	530114775	/nfs/dbraw/zinc/11/47/75/530114775.db2.gz	WWSYRTJOKQITMU-VCGICTTQSA-N	-1	0	376.412	0.418	20	5		GCBDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1	ZINC000577941377	530123502	/nfs/dbraw/zinc/12/35/02/530123502.db2.gz	ABPPRFMKHNWFGO-LLVKDONJSA-N	-1	0	376.343	0.102	20	5		GCBDRM
COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000437304523	530123860	/nfs/dbraw/zinc/12/38/60/530123860.db2.gz	DCVHZLWLAMKPQR-UHFFFAOYSA-N	-1	0	375.750	0.814	20	5		GCBDRM
CCOC(=O)COCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000578241127	530133676	/nfs/dbraw/zinc/13/36/76/530133676.db2.gz	VAVDNYSYTBSVFW-UHFFFAOYSA-N	-1	0	376.343	0.151	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000598583879	530138414	/nfs/dbraw/zinc/13/84/14/530138414.db2.gz	GFYRLIBLSHRSKO-VCGICTTQSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc32)n1	ZINC000599315715	530161971	/nfs/dbraw/zinc/16/19/71/530161971.db2.gz	QXRRBALXLRWGSV-SECBINFHSA-N	-1	0	386.411	0.178	20	5		GCBDRM
CS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC000366535891	530206216	/nfs/dbraw/zinc/20/62/16/530206216.db2.gz	SXVJGGJBHBDLIV-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
CN1C(=O)C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1=O	ZINC000561554111	530222541	/nfs/dbraw/zinc/22/25/41/530222541.db2.gz	DQMBPPXYXFJQRS-ZETCQYMHSA-N	-1	0	382.181	0.937	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000611165197	530234788	/nfs/dbraw/zinc/23/47/88/530234788.db2.gz	UMXBFHNASCKTFZ-SECBINFHSA-N	-1	0	395.187	0.831	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000262473592	530245858	/nfs/dbraw/zinc/24/58/58/530245858.db2.gz	UQMLZTAKJKHXAK-QMMMGPOBSA-N	-1	0	393.805	0.848	20	5		GCBDRM
CN1C[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1=O	ZINC000263818935	530296177	/nfs/dbraw/zinc/29/61/77/530296177.db2.gz	PRPGGIBYSZEING-MRVPVSSYSA-N	-1	0	378.204	0.866	20	5		GCBDRM
CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000515839377	530309614	/nfs/dbraw/zinc/30/96/14/530309614.db2.gz	GZXJKTMOPQKCCG-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
O=C([O-])c1cn(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1	ZINC000582523460	530327927	/nfs/dbraw/zinc/32/79/27/530327927.db2.gz	DGNMWRVEPAMTQL-UHFFFAOYSA-N	-1	0	375.750	0.516	20	5		GCBDRM
CS(=O)(=O)CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000582967435	530332061	/nfs/dbraw/zinc/33/20/61/530332061.db2.gz	FCKSXEUTWUAFJJ-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
CC(C)NS(=O)(=O)NCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000563959456	530350427	/nfs/dbraw/zinc/35/04/27/530350427.db2.gz	HYVYLZULBXRYDB-UHFFFAOYSA-N	-1	0	380.810	0.516	20	5		GCBDRM
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCS(=O)(=O)[C@H]2COCC[C@H]21	ZINC000583265601	530352848	/nfs/dbraw/zinc/35/28/48/530352848.db2.gz	OMKBCYCRUCYMQB-PWSUYJOCSA-N	-1	0	390.801	0.982	20	5		GCBDRM
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21	ZINC000583265599	530352999	/nfs/dbraw/zinc/35/29/99/530352999.db2.gz	OMKBCYCRUCYMQB-CMPLNLGQSA-N	-1	0	390.801	0.982	20	5		GCBDRM
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCS(=O)(=O)[C@@H]2COCC[C@H]21	ZINC000583265602	530353027	/nfs/dbraw/zinc/35/30/27/530353027.db2.gz	OMKBCYCRUCYMQB-ZYHUDNBSSA-N	-1	0	390.801	0.982	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000566175967	530372826	/nfs/dbraw/zinc/37/28/26/530372826.db2.gz	FIOFQDSYKVDPRW-MRVPVSSYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566919798	530412704	/nfs/dbraw/zinc/41/27/04/530412704.db2.gz	YLLDEYVPRICNAQ-RKDXNWHRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000567799371	530472280	/nfs/dbraw/zinc/47/22/80/530472280.db2.gz	MTWPOKAXINTOKI-HKPSDFMSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-]	ZINC000570277082	530501191	/nfs/dbraw/zinc/50/11/91/530501191.db2.gz	YIEHSUOPESQUJF-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000571527121	530507178	/nfs/dbraw/zinc/50/71/78/530507178.db2.gz	GNISMBNJEIXGCD-MRVPVSSYSA-N	-1	0	380.400	0.347	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000571407454	530507349	/nfs/dbraw/zinc/50/73/49/530507349.db2.gz	AAFRVMMCULNXNM-LVPZIMMTSA-N	-1	0	376.412	0.823	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000574573073	530515803	/nfs/dbraw/zinc/51/58/03/530515803.db2.gz	XKXOOSHXUALYMV-CPCISQLKSA-N	-1	0	378.334	0.511	20	5		GCBDRM
O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436871952	530526636	/nfs/dbraw/zinc/52/66/36/530526636.db2.gz	VEZJBVYVPVPNFL-UHFFFAOYSA-N	-1	0	375.428	0.409	20	5		GCBDRM
COC[C@](C)(O)CCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000414329610	530597314	/nfs/dbraw/zinc/59/73/14/530597314.db2.gz	RAKAVCGYPSZEFB-CQSZACIVSA-N	-1	0	376.387	0.667	20	5		GCBDRM
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000269487711	530753687	/nfs/dbraw/zinc/75/36/87/530753687.db2.gz	REEXBMJOSVQSNQ-UHFFFAOYSA-N	-1	0	385.276	0.093	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000592140751	530757044	/nfs/dbraw/zinc/75/70/44/530757044.db2.gz	RRDXEEQZEFOCNR-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
O=C([O-])c1cn([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)nn1	ZINC000592450076	530769403	/nfs/dbraw/zinc/76/94/03/530769403.db2.gz	LLSRRMWUIJDSJU-MRVPVSSYSA-N	-1	0	387.399	0.972	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCNS(=O)(=O)c1cccs1	ZINC000269522304	530770613	/nfs/dbraw/zinc/77/06/13/530770613.db2.gz	MTZHTYYKQQGRER-UHFFFAOYSA-N	-1	0	387.443	0.646	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c([N+](=O)[O-])c1	ZINC000593313083	530800192	/nfs/dbraw/zinc/80/01/92/530800192.db2.gz	XWLVFHISSWQKPM-UHFFFAOYSA-N	-1	0	385.276	0.250	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1	ZINC000273756742	530818816	/nfs/dbraw/zinc/81/88/16/530818816.db2.gz	VUABHJSAHQUMOG-MRVPVSSYSA-N	-1	0	378.384	0.006	20	5		GCBDRM
NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000548250655	530846472	/nfs/dbraw/zinc/84/64/72/530846472.db2.gz	SCYHVDLTQSJSMJ-GMSGAONNSA-N	-1	0	391.789	0.587	20	5		GCBDRM
NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000275095538	530848346	/nfs/dbraw/zinc/84/83/46/530848346.db2.gz	KUTQCFSKEWCPJB-XVKPBYJWSA-N	-1	0	375.334	0.073	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O	ZINC000417444768	530850459	/nfs/dbraw/zinc/85/04/59/530850459.db2.gz	DQUCFRRLBPLFHN-LDYMZIIASA-N	-1	0	391.427	0.645	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2nc(-c3cccnc3)ns2)c([N+](=O)[O-])n1	ZINC000535136468	530903729	/nfs/dbraw/zinc/90/37/29/530903729.db2.gz	DLCQPHYJIVBARN-UHFFFAOYSA-N	-1	0	381.399	0.947	20	5		GCBDRM
CS(=O)(=O)CCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000274815507	530905301	/nfs/dbraw/zinc/90/53/01/530905301.db2.gz	WKZCVFPOGLRUII-UHFFFAOYSA-N	-1	0	394.427	0.786	20	5		GCBDRM
CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])s1	ZINC000443414588	530905878	/nfs/dbraw/zinc/90/58/78/530905878.db2.gz	IXNPXEYABBAOOP-UHFFFAOYSA-N	-1	0	390.403	0.569	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000274961000	530906354	/nfs/dbraw/zinc/90/63/54/530906354.db2.gz	VAVOLKWUZQCHAM-SECBINFHSA-N	-1	0	397.203	0.780	20	5		GCBDRM
NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000275169880	530907307	/nfs/dbraw/zinc/90/73/07/530907307.db2.gz	VFPYAHDZJVYAIA-VXNVDRBHSA-N	-1	0	375.334	0.073	20	5		GCBDRM
O=C1NCCCN1[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000275903243	530909818	/nfs/dbraw/zinc/90/98/18/530909818.db2.gz	QCHLIAZVARUMMI-UHFFFAOYSA-N	-1	0	379.192	0.966	20	5		GCBDRM
O=C1NCCCN1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000275915143	530909899	/nfs/dbraw/zinc/90/98/99/530909899.db2.gz	SDWCIAMHQKZGGU-UHFFFAOYSA-N	-1	0	379.192	0.966	20	5		GCBDRM
COC[C@@H](CCNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1)OC	ZINC000594719452	530877715	/nfs/dbraw/zinc/87/77/15/530877715.db2.gz	IUKCWRDZMAYECN-SNVBAGLBSA-N	-1	0	376.387	0.931	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1C	ZINC000548585823	530883382	/nfs/dbraw/zinc/88/33/82/530883382.db2.gz	MQBKCLCEZFFLPN-BGJPBQGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548585855	530883472	/nfs/dbraw/zinc/88/34/72/530883472.db2.gz	QKQNWMGGOYGORP-AUADJRAKSA-N	-1	0	382.803	0.454	20	5		GCBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424249113	530888882	/nfs/dbraw/zinc/88/88/82/530888882.db2.gz	SULOOEPVKCFZFE-SKDRFNHKSA-N	-1	0	388.423	0.786	20	5		GCBDRM
O=C([O-])[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCS1(=O)=O	ZINC000424481310	530889138	/nfs/dbraw/zinc/88/91/38/530889138.db2.gz	ZMHDGSVXHPWMQC-QMMMGPOBSA-N	-1	0	380.176	0.440	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424368159	530889363	/nfs/dbraw/zinc/88/93/63/530889363.db2.gz	PCKQREOVZHPCMZ-GFCCVEGCSA-N	-1	0	392.411	0.030	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C	ZINC000424366480	530889364	/nfs/dbraw/zinc/88/93/64/530889364.db2.gz	JAMJXJPBVVOQHF-LLVKDONJSA-N	-1	0	392.411	0.084	20	5		GCBDRM
O=C([O-])[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCS1(=O)=O	ZINC000424481308	530889471	/nfs/dbraw/zinc/88/94/71/530889471.db2.gz	ZMHDGSVXHPWMQC-MRVPVSSYSA-N	-1	0	380.176	0.440	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000575865801	530929311	/nfs/dbraw/zinc/92/93/11/530929311.db2.gz	UECTYNNFGLSLCG-DNKNOMGSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
C[C@](NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600665523	530931265	/nfs/dbraw/zinc/93/12/65/530931265.db2.gz	HJPLCKLPNHNTHD-CYBMUJFWSA-N	-1	0	394.427	0.249	20	5		GCBDRM
COC(=O)CCc1csc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1	ZINC000600667382	530931404	/nfs/dbraw/zinc/93/14/04/530931404.db2.gz	BNCJEHRUVKNKRV-UHFFFAOYSA-N	-1	0	375.388	0.691	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000600664929	530931435	/nfs/dbraw/zinc/93/14/35/530931435.db2.gz	CCRXDMWNCQOUOR-ZJUUUORDSA-N	-1	0	376.391	0.359	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)n1	ZINC000600650759	530931617	/nfs/dbraw/zinc/93/16/17/530931617.db2.gz	BBPJSYJHEWZLOI-UHFFFAOYSA-N	-1	0	388.427	0.716	20	5		GCBDRM
CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1	ZINC000600657928	530931621	/nfs/dbraw/zinc/93/16/21/530931621.db2.gz	WKRGUGOHKIJEKL-UHFFFAOYSA-N	-1	0	375.378	0.903	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c(C)c1[N+](=O)[O-]	ZINC000277271748	530912824	/nfs/dbraw/zinc/91/28/24/530912824.db2.gz	ONYJOSXCUQKHPY-OIBJUYFYSA-N	-1	0	377.331	0.232	20	5		GCBDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277305775	530912921	/nfs/dbraw/zinc/91/29/21/530912921.db2.gz	SHMAFWUJGAWNLS-SNVBAGLBSA-N	-1	0	378.334	0.843	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000277311690	530913359	/nfs/dbraw/zinc/91/33/59/530913359.db2.gz	SZKKQWAQHUWDLI-VIFPVBQESA-N	-1	0	377.331	0.234	20	5		GCBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000277377769	530913550	/nfs/dbraw/zinc/91/35/50/530913550.db2.gz	FQAAPYKWJNZMAA-VIFPVBQESA-N	-1	0	375.428	0.658	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1	ZINC000278262824	530916363	/nfs/dbraw/zinc/91/63/63/530916363.db2.gz	NZBQJFXYIXUYHY-UHFFFAOYSA-N	-1	0	379.778	0.426	20	5		GCBDRM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)OC	ZINC000285009147	530926941	/nfs/dbraw/zinc/92/69/41/530926941.db2.gz	DPOGREUEMFQAKO-MRVPVSSYSA-N	-1	0	398.752	0.770	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(=O)(=O)NC(C)(C)C	ZINC000603583581	530935636	/nfs/dbraw/zinc/93/56/36/530935636.db2.gz	KGXCNCRTOVSOKP-UHFFFAOYSA-N	-1	0	395.459	0.600	20	5		GCBDRM
COc1ccc(S(=O)(=O)NCCS(=O)(=O)NC(C)(C)C)c([N+](=O)[O-])c1	ZINC000603583587	530935768	/nfs/dbraw/zinc/93/57/68/530935768.db2.gz	LTNABHCAFNVNOE-UHFFFAOYSA-N	-1	0	395.459	0.600	20	5		GCBDRM
NS(=O)(=O)c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c([N+](=O)[O-])c1	ZINC000604515104	530938463	/nfs/dbraw/zinc/93/84/63/530938463.db2.gz	VGLQBJLRTHNCEN-CYBMUJFWSA-N	-1	0	389.411	0.779	20	5		GCBDRM
Cn1c(C(=O)N2CCc3nc([N-]S(C)(=O)=O)sc3C2)ccc1[N+](=O)[O-]	ZINC000506630617	530940295	/nfs/dbraw/zinc/94/02/95/530940295.db2.gz	FCMSBAUHUPZXAF-UHFFFAOYSA-N	-1	0	385.427	0.960	20	5		GCBDRM
O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000507304210	530940965	/nfs/dbraw/zinc/94/09/65/530940965.db2.gz	OGRZBCYVFYZPSG-GFCCVEGCSA-N	-1	0	386.407	0.927	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CS(C)(=O)=O	ZINC000575926605	530944866	/nfs/dbraw/zinc/94/48/66/530944866.db2.gz	DACKYMNLSSHMLK-ZETCQYMHSA-N	-1	0	380.400	0.313	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000326069228	530946085	/nfs/dbraw/zinc/94/60/85/530946085.db2.gz	HDDXHEPZRWAJIX-MRVPVSSYSA-N	-1	0	380.762	0.933	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000274952296	530950821	/nfs/dbraw/zinc/95/08/21/530950821.db2.gz	AMUVVFQDFIITND-SECBINFHSA-N	-1	0	398.802	0.121	20	5		GCBDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000274946721	530950955	/nfs/dbraw/zinc/95/09/55/530950955.db2.gz	RVDWOMKULVGKIQ-ANLVUFKYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000326415742	530998403	/nfs/dbraw/zinc/99/84/03/530998403.db2.gz	LTFXJZIVOFBFCY-SECBINFHSA-N	-1	0	378.384	0.101	20	5		GCBDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000547913286	531019900	/nfs/dbraw/zinc/01/99/00/531019900.db2.gz	MDYLMTOSXODXJW-SNVBAGLBSA-N	-1	0	376.343	0.102	20	5		GCBDRM
Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000547894840	531000861	/nfs/dbraw/zinc/00/08/61/531000861.db2.gz	MKYGQLLJBKAZFM-SNVBAGLBSA-N	-1	0	388.789	0.956	20	5		GCBDRM
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000737512696	599040583	/nfs/dbraw/zinc/04/05/83/599040583.db2.gz	ZXSGWFZONKAWRT-UHFFFAOYSA-N	-1	0	378.374	0.926	20	5		GCBDRM
CN(CC(=O)[O-])C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262470893	596899315	/nfs/dbraw/zinc/89/93/15/596899315.db2.gz	SFQQUMXFYYAYJZ-CYBMUJFWSA-N	-1	0	385.398	0.681	20	5		GCBDRM
O=C([O-])[C@@H]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000262117819	596901268	/nfs/dbraw/zinc/90/12/68/596901268.db2.gz	LQLUJBRYMVLPRN-LLVKDONJSA-N	-1	0	385.398	0.527	20	5		GCBDRM
Cc1c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000610891893	597099887	/nfs/dbraw/zinc/09/98/87/597099887.db2.gz	JVILZDMBMUOLNS-SNVBAGLBSA-N	-1	0	385.398	0.878	20	5		GCBDRM
COC(=O)[C@H](C)NC(=O)c1ccc(N2CCO[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000591325380	597441125	/nfs/dbraw/zinc/44/11/25/597441125.db2.gz	JZAKNMSHKATAMZ-TVQRCGJNSA-N	-1	0	381.341	0.176	20	5		GCBDRM
C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000737706600	597494476	/nfs/dbraw/zinc/49/44/76/597494476.db2.gz	TTWJUMJQRKSIEO-SSDOTTSWSA-N	-1	0	380.762	0.933	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000262179705	597514444	/nfs/dbraw/zinc/51/44/44/597514444.db2.gz	WKGGZOBRTNXSAO-HNNXBMFYSA-N	-1	0	390.396	0.953	20	5		GCBDRM
CC(=O)NCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)C(=O)[O-]	ZINC000819769814	597676752	/nfs/dbraw/zinc/67/67/52/597676752.db2.gz	AWLGWWCZBDGXQV-LLVKDONJSA-N	-1	0	378.385	0.395	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)C(=O)[O-]	ZINC000262232202	597686628	/nfs/dbraw/zinc/68/66/28/597686628.db2.gz	NFXQKKSRBJHKFP-LLVKDONJSA-N	-1	0	389.368	0.832	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H](C)C(=O)[O-]	ZINC000272628618	597686727	/nfs/dbraw/zinc/68/67/27/597686727.db2.gz	LHJPFYWNNADSQV-JTQLQIEISA-N	-1	0	390.356	0.227	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC000819752713	597701038	/nfs/dbraw/zinc/70/10/38/597701038.db2.gz	AYYUJFKINCBKDI-SECBINFHSA-N	-1	0	382.329	0.863	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[nH]n2)nc1	ZINC000823285508	607322789	/nfs/dbraw/zinc/32/27/89/607322789.db2.gz	UPZCHPUAGWDQRZ-UHFFFAOYSA-N	-1	0	393.316	0.428	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000739915609	599740808	/nfs/dbraw/zinc/74/08/08/599740808.db2.gz	WWWXVUJNIMJCLW-UHFFFAOYSA-N	-1	0	397.369	0.183	20	5		GCBDRM
COc1cc(C(=O)N2CCCn3nc(C(=O)[O-])nc32)c([N+](=O)[O-])cc1OC	ZINC000737843955	599767710	/nfs/dbraw/zinc/76/77/10/599767710.db2.gz	BRKVZSXDNBTECT-UHFFFAOYSA-N	-1	0	377.313	0.952	20	5		GCBDRM
C[C@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])[C@H](C)N1CCOCC1	ZINC000736672004	599778392	/nfs/dbraw/zinc/77/83/92/599778392.db2.gz	OGSAEQJNYAVSHZ-RYUDHWBXSA-N	-1	0	380.401	0.930	20	5		GCBDRM
O=C([O-])[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(F)c1	ZINC000485796681	599942734	/nfs/dbraw/zinc/94/27/34/599942734.db2.gz	VDFUGTVVBMPFGJ-LBPRGKRZSA-N	-1	0	377.328	0.955	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC	ZINC000263021340	599944179	/nfs/dbraw/zinc/94/41/79/599944179.db2.gz	SODWXFYFBYEQIG-CQSZACIVSA-N	-1	0	384.341	0.554	20	5		GCBDRM
O=C([O-])C1CCC(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1	ZINC000739275154	600050517	/nfs/dbraw/zinc/05/05/17/600050517.db2.gz	YNBNYFLIHKAJKF-UHFFFAOYSA-N	-1	0	375.337	0.950	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000738177125	600062483	/nfs/dbraw/zinc/06/24/83/600062483.db2.gz	LMKIWVWHNUGPQR-RYUDHWBXSA-N	-1	0	397.409	0.368	20	5		GCBDRM
O=C([O-])Cn1ncc2c1ncn(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c2=O	ZINC000739920618	600086434	/nfs/dbraw/zinc/08/64/34/600086434.db2.gz	NIHSZOGXZXEOJA-LLVKDONJSA-N	-1	0	389.324	0.026	20	5		GCBDRM
O=C([O-])C1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1	ZINC000738713263	600165367	/nfs/dbraw/zinc/16/53/67/600165367.db2.gz	DNVCEBCPHVTZPK-UHFFFAOYSA-N	-1	0	394.336	0.846	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739561512	600171395	/nfs/dbraw/zinc/17/13/95/600171395.db2.gz	RCQWNTKWYJZJDV-KGLIPLIRSA-N	-1	0	377.353	0.507	20	5		GCBDRM
O=C([O-])[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739561513	600171596	/nfs/dbraw/zinc/17/15/96/600171596.db2.gz	RCQWNTKWYJZJDV-UONOGXRCSA-N	-1	0	377.353	0.507	20	5		GCBDRM
CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000736148262	600187773	/nfs/dbraw/zinc/18/77/73/600187773.db2.gz	IHRCAAUTQMQFHX-ZDUSSCGKSA-N	-1	0	378.341	0.359	20	5		GCBDRM
Cn1c(=O)c2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cnc2n(C)c1=O	ZINC000738996902	600191312	/nfs/dbraw/zinc/19/13/12/600191312.db2.gz	DJSAPKALCFUNMU-UHFFFAOYSA-N	-1	0	399.319	0.491	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN(CCCC(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000262207363	600224058	/nfs/dbraw/zinc/22/40/58/600224058.db2.gz	IIKFWSASOYXQJY-UHFFFAOYSA-N	-1	0	387.414	0.775	20	5		GCBDRM
O=C([O-])c1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1	ZINC000740110128	600258806	/nfs/dbraw/zinc/25/88/06/600258806.db2.gz	RZFMFMKNDCQRDE-UHFFFAOYSA-N	-1	0	394.365	0.396	20	5		GCBDRM
COC(=O)c1sc2[nH]c(Cn3cc([N+](=O)[O-])cn3)nc(=O)c2c1CC(=O)[O-]	ZINC000737723837	600361446	/nfs/dbraw/zinc/36/14/46/600361446.db2.gz	PPLZUTNPDPCKMP-UHFFFAOYSA-N	-1	0	393.337	0.551	20	5		GCBDRM
CN(CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737387473	600380247	/nfs/dbraw/zinc/38/02/47/600380247.db2.gz	BMQRLMJDDZOPNO-OAHLLOKOSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c([N+](=O)[O-])n1	ZINC000821566484	607441072	/nfs/dbraw/zinc/44/10/72/607441072.db2.gz	GQNLIKSZADAWBJ-UHFFFAOYSA-N	-1	0	382.337	0.931	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCC[C@@H](N3CCNC3=O)C2)c([N+](=O)[O-])c1	ZINC000739811968	600435284	/nfs/dbraw/zinc/43/52/84/600435284.db2.gz	DMRWWVLNGPPSQP-GFCCVEGCSA-N	-1	0	391.384	0.403	20	5		GCBDRM
O=C([O-])CCN(C[C@H]1CCCO1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000739715524	600490878	/nfs/dbraw/zinc/49/08/78/600490878.db2.gz	HQRZDGIQHDZXDT-GFCCVEGCSA-N	-1	0	393.352	0.985	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N(C)CCN2CCCC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657140	600540353	/nfs/dbraw/zinc/54/03/53/600540353.db2.gz	PIASEEGZXAMPDF-NSHDSACASA-N	-1	0	378.385	0.856	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000737789533	600619888	/nfs/dbraw/zinc/61/98/88/600619888.db2.gz	MLYBLVHRHRUBTL-UHFFFAOYSA-N	-1	0	381.341	0.270	20	5		GCBDRM
CC(C)(C)[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736240420	600644610	/nfs/dbraw/zinc/64/46/10/600644610.db2.gz	BSNZKXAVKPNJRG-ZDUSSCGKSA-N	-1	0	387.414	0.879	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C	ZINC000737800514	600670203	/nfs/dbraw/zinc/67/02/03/600670203.db2.gz	LFEQMNFCVJTWAD-UHFFFAOYSA-N	-1	0	389.386	0.114	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657074	600709738	/nfs/dbraw/zinc/70/97/38/600709738.db2.gz	NNILETGLKRFRGE-WDEREUQCSA-N	-1	0	399.425	0.669	20	5		GCBDRM
O=C([O-])CSCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739857630	600729635	/nfs/dbraw/zinc/72/96/35/600729635.db2.gz	JNWYIYOKEVYACR-UHFFFAOYSA-N	-1	0	396.425	0.880	20	5		GCBDRM
CCOCCN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000830012258	600812789	/nfs/dbraw/zinc/81/27/89/600812789.db2.gz	XSXCFLOEPSRPQO-ZDUSSCGKSA-N	-1	0	394.428	0.956	20	5		GCBDRM
CCOCCN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000830011935	600812962	/nfs/dbraw/zinc/81/29/62/600812962.db2.gz	QQNJFDCVEKALBR-UHFFFAOYSA-N	-1	0	380.401	0.568	20	5		GCBDRM
O=C([O-])/C=C/c1ccc(Nc2cnn(CC(=O)NCCO)c2)c([N+](=O)[O-])c1	ZINC000833197080	600824603	/nfs/dbraw/zinc/82/46/03/600824603.db2.gz	IZOZRCHFWAQLCC-DUXPYHPUSA-N	-1	0	375.341	0.741	20	5		GCBDRM
C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC000828202003	600825627	/nfs/dbraw/zinc/82/56/27/600825627.db2.gz	ZRMOXFMHINRSPU-SUZMYJTESA-N	-1	0	376.369	0.830	20	5		GCBDRM
Cc1c(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832848907	600923518	/nfs/dbraw/zinc/92/35/18/600923518.db2.gz	QUOQAVDQCUMNBZ-MRVPVSSYSA-N	-1	0	385.398	0.876	20	5		GCBDRM
O=C([O-])[C@H]1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000833184091	600958116	/nfs/dbraw/zinc/95/81/16/600958116.db2.gz	NUPCILUNVLOVJV-RYUDHWBXSA-N	-1	0	399.425	0.880	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccn1	ZINC000833106707	600975701	/nfs/dbraw/zinc/97/57/01/600975701.db2.gz	OFZVBZSLQLGWJT-AWEZNQCLSA-N	-1	0	384.304	0.528	20	5		GCBDRM
CS(=O)(=O)c1ccc(OCCn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cc1	ZINC000738178004	600984142	/nfs/dbraw/zinc/98/41/42/600984142.db2.gz	VZHJDSRSNFUHOI-UHFFFAOYSA-N	-1	0	382.350	0.937	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000833122713	601069224	/nfs/dbraw/zinc/06/92/24/601069224.db2.gz	KFEIBOOQAIHCCV-JTQLQIEISA-N	-1	0	379.354	0.473	20	5		GCBDRM
Cc1nn(C)c(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1[N+](=O)[O-]	ZINC000833012772	601075156	/nfs/dbraw/zinc/07/51/56/601075156.db2.gz	FPYFARNRJBAHDE-VIFPVBQESA-N	-1	0	393.381	0.932	20	5		GCBDRM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1	ZINC000600869162	601091633	/nfs/dbraw/zinc/09/16/33/601091633.db2.gz	KQSKWDDPQUGFMU-NSHDSACASA-N	-1	0	379.369	0.987	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000833122530	601098617	/nfs/dbraw/zinc/09/86/17/601098617.db2.gz	FFXNDFWSVXXICC-SNVBAGLBSA-N	-1	0	380.338	0.900	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@H](OC(=O)Cn2ccc([N+](=O)[O-])n2)C1=O	ZINC000833122763	601112810	/nfs/dbraw/zinc/11/28/10/601112810.db2.gz	MWWFTWVPMACLPE-VIFPVBQESA-N	-1	0	380.338	0.900	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704214	601201649	/nfs/dbraw/zinc/20/16/49/601201649.db2.gz	VMORSHIQZXJBMR-WDEREUQCSA-N	-1	0	378.385	0.890	20	5		GCBDRM
C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000827385072	601259862	/nfs/dbraw/zinc/25/98/62/601259862.db2.gz	FMSPIOSUVXQZQF-SNVBAGLBSA-N	-1	0	375.378	0.903	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc([N+](=O)[O-])c1	ZINC000600878535	601271851	/nfs/dbraw/zinc/27/18/51/601271851.db2.gz	XISJDACYCRTQHW-AWEZNQCLSA-N	-1	0	377.353	0.803	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)cc([N+](=O)[O-])c1	ZINC000486041500	601326970	/nfs/dbraw/zinc/32/69/70/601326970.db2.gz	RPRHZORFEUGYOT-UHFFFAOYSA-N	-1	0	386.382	0.752	20	5		GCBDRM
O=C([O-])CC1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCOCC1	ZINC000262449029	601329873	/nfs/dbraw/zinc/32/98/73/601329873.db2.gz	HAANZDLMXIJOCH-UHFFFAOYSA-N	-1	0	375.341	0.929	20	5		GCBDRM
C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000827889349	601373167	/nfs/dbraw/zinc/37/31/67/601373167.db2.gz	BUCRSXGDNXLBNL-NXEZZACHSA-N	-1	0	386.382	0.706	20	5		GCBDRM
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1=O	ZINC000830908473	601427110	/nfs/dbraw/zinc/42/71/10/601427110.db2.gz	WTBHFRBFHWWMPB-PIGZYNQJSA-N	-1	0	390.352	0.743	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCN(C3CC3)C(=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703923	601435319	/nfs/dbraw/zinc/43/53/19/601435319.db2.gz	UNXHSUAEALKFCL-JTQLQIEISA-N	-1	0	376.369	0.609	20	5		GCBDRM
O=C([O-])[C@]1(F)CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1	ZINC000833152916	601481738	/nfs/dbraw/zinc/48/17/38/601481738.db2.gz	GVYUMGGAFUIGJP-INIZCTEOSA-N	-1	0	397.315	0.720	20	5		GCBDRM
O=C([O-])C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000833197856	601527957	/nfs/dbraw/zinc/52/79/57/601527957.db2.gz	ROPTZANBVBEKDN-CYBMUJFWSA-N	-1	0	385.398	0.633	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NCc2ccc(C(N)=O)nc2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704296	601561370	/nfs/dbraw/zinc/56/13/70/601561370.db2.gz	XAUHEVBLYXPKPX-VIFPVBQESA-N	-1	0	387.352	0.904	20	5		GCBDRM
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@H]1C(=O)[O-]	ZINC000828499582	601564353	/nfs/dbraw/zinc/56/43/53/601564353.db2.gz	CNCGOSIQICSQNW-WCQYABFASA-N	-1	0	399.425	0.773	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000833192143	601609763	/nfs/dbraw/zinc/60/97/63/601609763.db2.gz	PFSLNCIXAWNXSS-NOZJJQNGSA-N	-1	0	381.316	0.399	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000827760550	601685337	/nfs/dbraw/zinc/68/53/37/601685337.db2.gz	LNLMJKOBTFMRGH-MRVPVSSYSA-N	-1	0	397.369	0.332	20	5		GCBDRM
O=C([O-])[C@@]1(F)CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262792401	601712176	/nfs/dbraw/zinc/71/21/76/601712176.db2.gz	OKRVAIWUKGEIHR-CQSZACIVSA-N	-1	0	389.361	0.288	20	5		GCBDRM
O=C([O-])C1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCS(=O)(=O)CC1	ZINC000833122758	601715986	/nfs/dbraw/zinc/71/59/86/601715986.db2.gz	MMWDAIQJTLBOKB-UHFFFAOYSA-N	-1	0	395.393	0.698	20	5		GCBDRM
O=C([O-])[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262570740	601743523	/nfs/dbraw/zinc/74/35/23/601743523.db2.gz	MXHJQTWRTVFOPI-CYBMUJFWSA-N	-1	0	385.398	0.729	20	5		GCBDRM
C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC000828333226	601758430	/nfs/dbraw/zinc/75/84/30/601758430.db2.gz	FDJAEXNPODWGHL-GWCFXTLKSA-N	-1	0	385.398	0.442	20	5		GCBDRM
O=C([O-])C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS(=O)(=O)CC1	ZINC000833175860	601808577	/nfs/dbraw/zinc/80/85/77/601808577.db2.gz	SJPNPOGIUFJYTL-UHFFFAOYSA-N	-1	0	396.374	0.044	20	5		GCBDRM
O=C([O-])C1(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCS(=O)(=O)CC1	ZINC000833176897	601808714	/nfs/dbraw/zinc/80/87/14/601808714.db2.gz	JGPBVVXUMJZVAD-UHFFFAOYSA-N	-1	0	396.374	0.044	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000825847388	602007187	/nfs/dbraw/zinc/00/71/87/602007187.db2.gz	QUVITZFFZJLDKY-WDEREUQCSA-N	-1	0	378.385	0.855	20	5		GCBDRM
CN(CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000263037787	602034762	/nfs/dbraw/zinc/03/47/62/602034762.db2.gz	DIIULAYIGRKHHX-OAHLLOKOSA-N	-1	0	385.398	0.539	20	5		GCBDRM
CCOCCS(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000830022525	602038840	/nfs/dbraw/zinc/03/88/40/602038840.db2.gz	VJCFGPLHHCTIOU-UHFFFAOYSA-N	-1	0	375.359	0.187	20	5		GCBDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000827263856	602076888	/nfs/dbraw/zinc/07/68/88/602076888.db2.gz	UZOWIMOIPJJDJB-NSHDSACASA-N	-1	0	399.425	0.758	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1	ZINC000826500247	607552551	/nfs/dbraw/zinc/55/25/51/607552551.db2.gz	PQWZXHUILAJYSK-WDEREUQCSA-N	-1	0	394.413	0.822	20	5		GCBDRM
C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000262812415	602243792	/nfs/dbraw/zinc/24/37/92/602243792.db2.gz	QIUPNHJLISHGCE-ZWNOBZJWSA-N	-1	0	385.398	0.727	20	5		GCBDRM
C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000262723125	602244543	/nfs/dbraw/zinc/24/45/43/602244543.db2.gz	XBWPDRVQTHERTN-MNOVXSKESA-N	-1	0	385.398	0.585	20	5		GCBDRM
Cn1cc(NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000833049373	602355159	/nfs/dbraw/zinc/35/51/59/602355159.db2.gz	UHOFBNCSRKINPR-TZMCWYRMSA-N	-1	0	378.341	0.848	20	5		GCBDRM
Cn1cc(NC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000833049371	602355206	/nfs/dbraw/zinc/35/52/06/602355206.db2.gz	UHOFBNCSRKINPR-OCCSQVGLSA-N	-1	0	378.341	0.848	20	5		GCBDRM
CN(CC(=O)N1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825888617	607580066	/nfs/dbraw/zinc/58/00/66/607580066.db2.gz	SWLVQKQDAPVTHQ-UHFFFAOYSA-N	-1	0	395.401	0.018	20	5		GCBDRM
C[C@@H](Cn1cccn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824464199	607586368	/nfs/dbraw/zinc/58/63/68/607586368.db2.gz	GAACDWMNZOFYQC-VIFPVBQESA-N	-1	0	378.374	0.338	20	5		GCBDRM
C[C@H](Cn1cccn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824464197	607586389	/nfs/dbraw/zinc/58/63/89/607586389.db2.gz	GAACDWMNZOFYQC-SECBINFHSA-N	-1	0	378.374	0.338	20	5		GCBDRM
Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cn1	ZINC000826288348	607590382	/nfs/dbraw/zinc/59/03/82/607590382.db2.gz	CARPARXGCPGXMD-UHFFFAOYSA-N	-1	0	375.370	0.957	20	5		GCBDRM
CC[C@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)OC	ZINC000825044642	607601891	/nfs/dbraw/zinc/60/18/91/607601891.db2.gz	QXTVSAKCQDATMW-ZDUSSCGKSA-N	-1	0	384.374	0.395	20	5		GCBDRM
O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)NC1CCCC1	ZINC000826413147	607602487	/nfs/dbraw/zinc/60/24/87/607602487.db2.gz	SZNFOSOAOWJHQY-UHFFFAOYSA-N	-1	0	395.401	0.112	20	5		GCBDRM
Cn1cc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cn1	ZINC000826360784	607605264	/nfs/dbraw/zinc/60/52/64/607605264.db2.gz	YAVNZANWVIHZFG-UHFFFAOYSA-N	-1	0	392.401	0.420	20	5		GCBDRM
Cc1cccnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826308263	607609443	/nfs/dbraw/zinc/60/94/43/607609443.db2.gz	QMCUQEKBSIPDFH-UHFFFAOYSA-N	-1	0	375.370	0.957	20	5		GCBDRM
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739272854	603217534	/nfs/dbraw/zinc/21/75/34/603217534.db2.gz	GBNMKMQTKOTYPJ-SECBINFHSA-N	-1	0	376.325	0.449	20	5		GCBDRM
NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000826390322	607621931	/nfs/dbraw/zinc/62/19/31/607621931.db2.gz	WRYDZXODKHJTCS-RKDXNWHRSA-N	-1	0	395.401	0.097	20	5		GCBDRM
NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000826390321	607622061	/nfs/dbraw/zinc/62/20/61/607622061.db2.gz	WRYDZXODKHJTCS-IUCAKERBSA-N	-1	0	395.401	0.097	20	5		GCBDRM
CCCCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825276470	607623382	/nfs/dbraw/zinc/62/33/82/607623382.db2.gz	YCNTWLAORCINMX-UHFFFAOYSA-N	-1	0	384.418	0.948	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccco2)c1-c1nnn[n-]1	ZINC000826500333	607626166	/nfs/dbraw/zinc/62/61/66/607626166.db2.gz	UKGASPKDOGQSOH-VIFPVBQESA-N	-1	0	380.342	0.380	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)c1-c1nnn[n-]1	ZINC000826499854	607627327	/nfs/dbraw/zinc/62/73/27/607627327.db2.gz	AULGXWFPPGEFOK-GFCCVEGCSA-N	-1	0	396.429	0.994	20	5		GCBDRM
CCCN(CC(C)(C)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825308295	607632038	/nfs/dbraw/zinc/63/20/38/607632038.db2.gz	ZZKBLJWHMVUUBY-UHFFFAOYSA-N	-1	0	384.418	0.947	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCCCO)c1-c1nnn[n-]1	ZINC000826500064	607633294	/nfs/dbraw/zinc/63/32/94/607633294.db2.gz	JRFXNWBVYJKQHC-UHFFFAOYSA-N	-1	0	388.431	0.169	20	5		GCBDRM
CC[C@@H](C)[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825051586	607635838	/nfs/dbraw/zinc/63/58/38/607635838.db2.gz	RUTOCMRYIBUMSP-OTYXRUKQSA-N	-1	0	384.418	0.850	20	5		GCBDRM
CCCOC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825339173	607660701	/nfs/dbraw/zinc/66/07/01/607660701.db2.gz	QCJZIQFGJYKGIB-UHFFFAOYSA-N	-1	0	384.374	0.397	20	5		GCBDRM
NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826390035	607662920	/nfs/dbraw/zinc/66/29/20/607662920.db2.gz	OJGZZIIWDVKAGP-RKDXNWHRSA-N	-1	0	395.401	0.097	20	5		GCBDRM
NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826390033	607663027	/nfs/dbraw/zinc/66/30/27/607663027.db2.gz	OJGZZIIWDVKAGP-DTWKUNHWSA-N	-1	0	395.401	0.097	20	5		GCBDRM
CCOC(=O)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825486005	607673617	/nfs/dbraw/zinc/67/36/17/607673617.db2.gz	LOIFWJINVXOTGC-MRVPVSSYSA-N	-1	0	384.374	0.252	20	5		GCBDRM
C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)[S@@](C)=O	ZINC000824400121	607674771	/nfs/dbraw/zinc/67/47/71/607674771.db2.gz	AILVJWNIXCMHCV-KFKUIPHHSA-N	-1	0	388.431	0.210	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)OC(C)(C)C	ZINC000824640538	607673372	/nfs/dbraw/zinc/67/33/72/607673372.db2.gz	KLHUXOMQDAMDCY-MRVPVSSYSA-N	-1	0	398.401	0.783	20	5		GCBDRM
COC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCC1	ZINC000826123842	607678851	/nfs/dbraw/zinc/67/88/51/607678851.db2.gz	MNMKWDMEOPZYJO-UHFFFAOYSA-N	-1	0	382.358	0.149	20	5		GCBDRM
CN(C)c1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1	ZINC000825883243	607682231	/nfs/dbraw/zinc/68/22/31/607682231.db2.gz	DZOIOCCKTPMDPH-UHFFFAOYSA-N	-1	0	391.373	0.432	20	5		GCBDRM
CCn1cc(S(=O)(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000833683784	604508078	/nfs/dbraw/zinc/50/80/78/604508078.db2.gz	XWKPAGWEFYRGOZ-NSHDSACASA-N	-1	0	398.397	0.739	20	5		GCBDRM
O=C([O-])C[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000833208614	604590917	/nfs/dbraw/zinc/59/09/17/604590917.db2.gz	PVZZVRDTVGHAGM-LLVKDONJSA-N	-1	0	385.398	0.729	20	5		GCBDRM
Cc1cc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832891087	604629345	/nfs/dbraw/zinc/62/93/45/604629345.db2.gz	KIZNYQXDXBUDJY-GFCCVEGCSA-N	-1	0	383.426	0.911	20	5		GCBDRM
O=C(CCN1C(=O)c2ccccc2C1=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000833099312	604714509	/nfs/dbraw/zinc/71/45/09/604714509.db2.gz	ORENVYXICQWHJX-UHFFFAOYSA-N	-1	0	399.315	0.710	20	5		GCBDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000829955479	604720720	/nfs/dbraw/zinc/72/07/20/604720720.db2.gz	PEUHLILOCZZUPP-LLVKDONJSA-N	-1	0	387.776	0.926	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000832855773	604835919	/nfs/dbraw/zinc/83/59/19/604835919.db2.gz	BUXOOFDYNUXJPS-UHFFFAOYSA-N	-1	0	379.285	0.887	20	5		GCBDRM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000832902399	604877705	/nfs/dbraw/zinc/87/77/05/604877705.db2.gz	UANGKTOTMNLMPO-UHFFFAOYSA-N	-1	0	391.340	0.318	20	5		GCBDRM
CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000833439317	605212057	/nfs/dbraw/zinc/21/20/57/605212057.db2.gz	QSIBCCQIFBHJHO-UHFFFAOYSA-N	-1	0	396.356	0.872	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-]	ZINC000281380324	605275052	/nfs/dbraw/zinc/27/50/52/605275052.db2.gz	SKULFMYOYNNNPZ-LBPRGKRZSA-N	-1	0	377.357	0.816	20	5		GCBDRM
NC(=O)COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000833761496	605329108	/nfs/dbraw/zinc/32/91/08/605329108.db2.gz	FXBHARUEISISBH-UHFFFAOYSA-N	-1	0	395.349	0.958	20	5		GCBDRM
C[C@@H]1CN(CCC(=O)[O-])CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000833629744	605391830	/nfs/dbraw/zinc/39/18/30/605391830.db2.gz	ZABQZQOWCPUDTP-CYBMUJFWSA-N	-1	0	385.442	0.849	20	5		GCBDRM
CC1(C)COCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833561301	605394132	/nfs/dbraw/zinc/39/41/32/605394132.db2.gz	ZTAJNLPAQSLZNL-UHFFFAOYSA-N	-1	0	387.414	0.682	20	5		GCBDRM
C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1=O	ZINC000833605729	605397777	/nfs/dbraw/zinc/39/77/77/605397777.db2.gz	ROFFHIMVFCXHJG-PTRXPTGYSA-N	-1	0	383.382	0.581	20	5		GCBDRM
CC(C)(C)N1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1=O	ZINC000833431902	605398587	/nfs/dbraw/zinc/39/85/87/605398587.db2.gz	YKMVMTXLCLZUAV-SECBINFHSA-N	-1	0	385.398	0.971	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000833704450	605663420	/nfs/dbraw/zinc/66/34/20/605663420.db2.gz	HLEFJMFCGSITKW-FZMZJTMJSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000833704449	605663507	/nfs/dbraw/zinc/66/35/07/605663507.db2.gz	HLEFJMFCGSITKW-BXUZGUMPSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000833709707	605666607	/nfs/dbraw/zinc/66/66/07/605666607.db2.gz	UQSVRDUKLLDASO-RYUDHWBXSA-N	-1	0	382.373	0.663	20	5		GCBDRM
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000739272855	605716017	/nfs/dbraw/zinc/71/60/17/605716017.db2.gz	GBNMKMQTKOTYPJ-VIFPVBQESA-N	-1	0	376.325	0.449	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000833704217	605769771	/nfs/dbraw/zinc/76/97/71/605769771.db2.gz	FREAEKSCZDHFAJ-AAEUAGOBSA-N	-1	0	394.336	0.651	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000833704219	605771401	/nfs/dbraw/zinc/77/14/01/605771401.db2.gz	FREAEKSCZDHFAJ-WCQYABFASA-N	-1	0	394.336	0.651	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(-c2nn[nH]n2)cs1	ZINC000823285048	606460515	/nfs/dbraw/zinc/46/05/15/606460515.db2.gz	MIQXAXWGVGLDDI-UHFFFAOYSA-N	-1	0	380.367	0.955	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1	ZINC000821846736	606709241	/nfs/dbraw/zinc/70/92/41/606709241.db2.gz	ZBPCHFMHIWLROT-UHFFFAOYSA-N	-1	0	380.346	0.318	20	5		GCBDRM
COCCN(CCOC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821690018	606731416	/nfs/dbraw/zinc/73/14/16/606731416.db2.gz	WCIBLRAZWRLZGV-UHFFFAOYSA-N	-1	0	386.390	0.058	20	5		GCBDRM
CCOC(=O)CN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821330806	606732593	/nfs/dbraw/zinc/73/25/93/606732593.db2.gz	SQKHKHGWYGWOON-UHFFFAOYSA-N	-1	0	384.374	0.349	20	5		GCBDRM
CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821593621	606733130	/nfs/dbraw/zinc/73/31/30/606733130.db2.gz	BQGBQFRTKGBZAK-UHFFFAOYSA-N	-1	0	398.401	0.737	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cncnc3C2)c1-c1nnn[n-]1	ZINC000823648377	606735505	/nfs/dbraw/zinc/73/55/05/606735505.db2.gz	VWBOVUJDJVDUPM-UHFFFAOYSA-N	-1	0	388.369	0.312	20	5		GCBDRM
CN(CCOCC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821603675	606736825	/nfs/dbraw/zinc/73/68/25/606736825.db2.gz	JLEMMUNORSRXLW-UHFFFAOYSA-N	-1	0	382.402	0.822	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)c2ccccc2)c1-c1nnn[n-]1	ZINC000823648272	607154809	/nfs/dbraw/zinc/15/48/09/607154809.db2.gz	TWBLMPYVBFFHSH-UHFFFAOYSA-N	-1	0	390.381	0.963	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)c1F	ZINC000822213193	607155432	/nfs/dbraw/zinc/15/54/32/607155432.db2.gz	YMCDJXWCOCWLBV-UHFFFAOYSA-N	-1	0	382.337	0.757	20	5		GCBDRM
CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825908400	607853741	/nfs/dbraw/zinc/85/37/41/607853741.db2.gz	HHUJUTZSOVZEOA-ONGXEEELSA-N	-1	0	382.402	0.556	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)c1-c1nnn[n-]1	ZINC000826500478	607971449	/nfs/dbraw/zinc/97/14/49/607971449.db2.gz	ZQEOQLWXUALPGJ-VHSXEESVSA-N	-1	0	382.402	0.604	20	5		GCBDRM
CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824266630	608110922	/nfs/dbraw/zinc/11/09/22/608110922.db2.gz	OLCOMSQTPCQFNL-VIFPVBQESA-N	-1	0	398.401	0.641	20	5		GCBDRM
C[C@@H]1C[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCO1	ZINC000824886281	608155413	/nfs/dbraw/zinc/15/54/13/608155413.db2.gz	WSBLKLMYGCINBB-NXEZZACHSA-N	-1	0	382.402	0.868	20	5		GCBDRM
CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000825763488	608295740	/nfs/dbraw/zinc/29/57/40/608295740.db2.gz	WWBBMYFPTFZSCH-UHFFFAOYSA-N	-1	0	378.374	0.872	20	5		GCBDRM
CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824172654	608439944	/nfs/dbraw/zinc/43/99/44/608439944.db2.gz	NBIQWGIJPHEQEW-NSHDSACASA-N	-1	0	382.402	0.699	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccccn2)c1-c1nnn[n-]1	ZINC000826499869	608567868	/nfs/dbraw/zinc/56/78/68/608567868.db2.gz	BNUNCDUYFADTPG-LLVKDONJSA-N	-1	0	391.369	0.182	20	5		GCBDRM
CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000729895935	639201405	/nfs/dbraw/zinc/20/14/05/639201405.db2.gz	CMCHOOLWWNYELF-UHFFFAOYSA-N	-1	0	377.331	0.361	20	5		GCBDRM
C[C@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000841783090	639233777	/nfs/dbraw/zinc/23/37/77/639233777.db2.gz	MKBGZZRSIKFRIX-JTQLQIEISA-N	-1	0	383.176	0.471	20	5		GCBDRM
CCS(=O)(=O)[N-]C(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000732606754	639811889	/nfs/dbraw/zinc/81/18/89/639811889.db2.gz	ARNGLXWEQSMMFX-LBPRGKRZSA-N	-1	0	389.455	0.912	20	5		GCBDRM
CN(C)C(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1	ZINC000732622428	639812839	/nfs/dbraw/zinc/81/28/39/639812839.db2.gz	HTKJZXSCYMSKDW-UHFFFAOYSA-N	-1	0	390.443	0.855	20	5		GCBDRM
NC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1	ZINC000732623516	639812864	/nfs/dbraw/zinc/81/28/64/639812864.db2.gz	VSJIGUVMATWTJP-UHFFFAOYSA-N	-1	0	385.379	0.639	20	5		GCBDRM
O=C(C[C@@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000916755232	639834529	/nfs/dbraw/zinc/83/45/29/639834529.db2.gz	SLEFRSIBJUNKTC-QMMMGPOBSA-N	-1	0	396.830	0.878	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000920333561	639920448	/nfs/dbraw/zinc/92/04/48/639920448.db2.gz	PZLRUOLYPZKQHQ-UHFFFAOYSA-N	-1	0	389.733	0.858	20	5		GCBDRM
CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC1	ZINC000733676992	639980779	/nfs/dbraw/zinc/98/07/79/639980779.db2.gz	ORELHLAPKVXFIT-UHFFFAOYSA-N	-1	0	375.790	0.969	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000734734398	640000979	/nfs/dbraw/zinc/00/09/79/640000979.db2.gz	FNVHHLKWUAIOFF-JTQLQIEISA-N	-1	0	376.412	0.533	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000747103403	640303569	/nfs/dbraw/zinc/30/35/69/640303569.db2.gz	LGASNPNSLAXSPN-UHFFFAOYSA-N	-1	0	390.439	0.756	20	5		GCBDRM
Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1C	ZINC000750760943	640367372	/nfs/dbraw/zinc/36/73/72/640367372.db2.gz	DXVBMQSIBJWIPQ-UHFFFAOYSA-N	-1	0	386.411	0.725	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1sccc1-n1cnnn1	ZINC000750765183	640367452	/nfs/dbraw/zinc/36/74/52/640367452.db2.gz	WSKOMNKZHNYLKK-UHFFFAOYSA-N	-1	0	381.355	0.146	20	5		GCBDRM
C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770773530	640814762	/nfs/dbraw/zinc/81/47/62/640814762.db2.gz	PKTINOGHBLDZAC-SSDOTTSWSA-N	-1	0	389.390	0.848	20	5		GCBDRM
O=C([O-])[C@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776484679	641097513	/nfs/dbraw/zinc/09/75/13/641097513.db2.gz	HDPRKWJFXQDWCA-QMMMGPOBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
Cn1c(Cl)ncc1S(=O)(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000776535996	641100308	/nfs/dbraw/zinc/10/03/08/641100308.db2.gz	FEKYRAKMHNQOKJ-SNVBAGLBSA-N	-1	0	388.789	0.956	20	5		GCBDRM
Cn1cnc(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1Cl	ZINC000776539756	641101135	/nfs/dbraw/zinc/10/11/35/641101135.db2.gz	YASHGQOCUQFXBS-SNVBAGLBSA-N	-1	0	388.789	0.956	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000776714105	641113781	/nfs/dbraw/zinc/11/37/81/641113781.db2.gz	GDMCQYNUEWALLP-VCGICTTQSA-N	-1	0	396.830	0.763	20	5		GCBDRM
O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776716725	641114899	/nfs/dbraw/zinc/11/48/99/641114899.db2.gz	RSBMOFQMOYTVEH-AUADJRAKSA-N	-1	0	382.803	0.454	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@]12CCC(=O)N1CCS2	ZINC000781837374	641238121	/nfs/dbraw/zinc/23/81/21/641238121.db2.gz	KXVXDMXJSXTQBP-CYBMUJFWSA-N	-1	0	389.386	0.604	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000784817630	641294791	/nfs/dbraw/zinc/29/47/91/641294791.db2.gz	ITMSZNVTJVWNPU-UHFFFAOYSA-N	-1	0	393.443	0.212	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O	ZINC000791891606	641440539	/nfs/dbraw/zinc/44/05/39/641440539.db2.gz	PFXWMUMOSKSDCW-LBPRGKRZSA-N	-1	0	376.412	0.675	20	5		GCBDRM
O=C(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N1CCOCC1	ZINC000795775009	641524610	/nfs/dbraw/zinc/52/46/10/641524610.db2.gz	AFNIZDSUQLZLMA-UHFFFAOYSA-N	-1	0	395.796	0.915	20	5		GCBDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-]	ZINC000797292633	641564018	/nfs/dbraw/zinc/56/40/18/641564018.db2.gz	SGTNKEJACNFCTP-ZETCQYMHSA-N	-1	0	392.411	0.946	20	5		GCBDRM
CS(=O)(=O)CCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000798282263	641581241	/nfs/dbraw/zinc/58/12/41/641581241.db2.gz	HQAVQZAHODNPDD-UHFFFAOYSA-N	-1	0	388.789	0.914	20	5		GCBDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000811138608	641749684	/nfs/dbraw/zinc/74/96/84/641749684.db2.gz	UEFVOLPBOXTTKC-UHFFFAOYSA-N	-1	0	376.391	0.172	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCS(=O)(=O)C1	ZINC000815916126	641836213	/nfs/dbraw/zinc/83/62/13/641836213.db2.gz	LQBXABJGBCJCHO-LLVKDONJSA-N	-1	0	390.439	0.923	20	5		GCBDRM
O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000819095074	641928297	/nfs/dbraw/zinc/92/82/97/641928297.db2.gz	SRCWGONTJMXTTP-NSHDSACASA-N	-1	0	384.288	0.824	20	5		GCBDRM
O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000819095385	641928420	/nfs/dbraw/zinc/92/84/20/641928420.db2.gz	VNDFCPGYECMBJE-LLVKDONJSA-N	-1	0	384.288	0.824	20	5		GCBDRM
CC(C)OCCS(=O)(=O)NCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837555090	642276005	/nfs/dbraw/zinc/27/60/05/642276005.db2.gz	AGWYLQQIRVBYKC-UHFFFAOYSA-N	-1	0	376.387	0.688	20	5		GCBDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1	ZINC000842318777	642330669	/nfs/dbraw/zinc/33/06/69/642330669.db2.gz	JDOARMSQZKRWLQ-UHFFFAOYSA-N	-1	0	375.403	0.935	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)cc([N+](=O)[O-])c1C	ZINC000842676207	642342490	/nfs/dbraw/zinc/34/24/90/642342490.db2.gz	VNVVDIJPPCKACT-GFCCVEGCSA-N	-1	0	391.427	0.050	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000850886299	642700658	/nfs/dbraw/zinc/70/06/58/642700658.db2.gz	SWKKEIORJSAZCJ-UHFFFAOYSA-N	-1	0	397.406	0.210	20	5		GCBDRM
CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851326992	642716891	/nfs/dbraw/zinc/71/68/91/642716891.db2.gz	FKAAVLHOWGUDHB-UHFFFAOYSA-N	-1	0	386.415	0.759	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)ccc1[N+](=O)[O-]	ZINC000468911292	1192196550	/nfs/dbraw/zinc/19/65/50/1192196550.db2.gz	JLWPAOHNUOJUIU-UHFFFAOYSA-N	-1	0	380.382	0.923	20	5		GCBDRM
O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000571329528	1192484315	/nfs/dbraw/zinc/48/43/15/1192484315.db2.gz	BVSMMZSSWXUKHC-UHFFFAOYSA-N	-1	0	396.787	0.517	20	5		GCBDRM
C[C@H]1[C@H](Nc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C(=O)N1S(=O)(=O)[O-]	ZINC001167858351	1192506129	/nfs/dbraw/zinc/50/61/29/1192506129.db2.gz	NENUGTHNGUEPEH-SDBXPKJASA-N	-1	0	379.354	0.866	20	5		GCBDRM
C[C@H]1[C@H](Nc2nccc(Br)c2[N+](=O)[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001167861224	1192511595	/nfs/dbraw/zinc/51/15/95/1192511595.db2.gz	HNCYGPHUIOPDKZ-NJGYIYPDSA-N	-1	0	381.164	0.566	20	5		GCBDRM
CCOc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c([N+](=O)[O-])cc1OC	ZINC000500583100	1192657354	/nfs/dbraw/zinc/65/73/54/1192657354.db2.gz	YNARAQHSPADKAN-UHFFFAOYSA-N	-1	0	385.358	0.776	20	5		GCBDRM
C[C@@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1nnn[n-]1	ZINC000274777433	1184297064	/nfs/dbraw/zinc/29/70/64/1184297064.db2.gz	NFSTUWDFYMYUEG-NSHDSACASA-N	-1	0	375.389	0.820	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-]	ZINC000274927421	1184430172	/nfs/dbraw/zinc/43/01/72/1184430172.db2.gz	CHRLGBRLFHFMPB-CYBMUJFWSA-N	-1	0	387.414	0.275	20	5		GCBDRM
O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NS(=O)(=O)[C@H]1CCOC1	ZINC000274952493	1184441499	/nfs/dbraw/zinc/44/14/99/1184441499.db2.gz	GMFHIOMKWXNASI-SMDDNHRTSA-N	-1	0	383.382	0.780	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000274970439	1184442648	/nfs/dbraw/zinc/44/26/48/1184442648.db2.gz	CHJFMTRABJYDEE-NWDGAFQWSA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000275149472	1184535101	/nfs/dbraw/zinc/53/51/01/1184535101.db2.gz	RJCXYHOYXOKNFX-NWDGAFQWSA-N	-1	0	397.409	0.599	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000275159977	1184537157	/nfs/dbraw/zinc/53/71/57/1184537157.db2.gz	AJAKCLJZCRSBDF-LLVKDONJSA-N	-1	0	384.370	0.311	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1C	ZINC000275206360	1184552855	/nfs/dbraw/zinc/55/28/55/1184552855.db2.gz	ZIZKNGXAJZHPFJ-CMPLNLGQSA-N	-1	0	385.398	0.551	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000275301039	1184591977	/nfs/dbraw/zinc/59/19/77/1184591977.db2.gz	QMHPHHNJMZMOCD-NSHDSACASA-N	-1	0	384.370	0.311	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-]	ZINC000275542285	1184703129	/nfs/dbraw/zinc/70/31/29/1184703129.db2.gz	DBGFKTBQGZJNAY-CQSZACIVSA-N	-1	0	390.370	0.133	20	5		GCBDRM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1	ZINC000610269762	1184718252	/nfs/dbraw/zinc/71/82/52/1184718252.db2.gz	IPEJQMJYHVDHLB-BXKDBHETSA-N	-1	0	397.388	0.940	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000547875714	1184729560	/nfs/dbraw/zinc/72/95/60/1184729560.db2.gz	CEPLKTIUMLYKQP-LLVKDONJSA-N	-1	0	384.370	0.540	20	5		GCBDRM
COc1cc(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000547899262	1184738490	/nfs/dbraw/zinc/73/84/90/1184738490.db2.gz	XYJJEJYVVCQXQA-LLVKDONJSA-N	-1	0	398.397	0.559	20	5		GCBDRM
CCn1cc(S(=O)(=O)N(CCC(=O)[O-])Cc2cccnc2)c([N+](=O)[O-])n1	ZINC000547910105	1184752353	/nfs/dbraw/zinc/75/23/53/1184752353.db2.gz	WRDGVDNPXXCAJV-UHFFFAOYSA-N	-1	0	383.386	0.872	20	5		GCBDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)OCCn1ccc([N+](=O)[O-])n1	ZINC000748118811	1184792478	/nfs/dbraw/zinc/79/24/78/1184792478.db2.gz	BFASYFCBSPCLNF-UHFFFAOYSA-N	-1	0	385.340	0.838	20	5		GCBDRM
C[C@](CO)(CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-]	ZINC000275649847	1184857270	/nfs/dbraw/zinc/85/72/70/1184857270.db2.gz	NTEYRMJJZWLRSO-CQSZACIVSA-N	-1	0	390.370	0.118	20	5		GCBDRM
O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C2	ZINC000580178798	1185104497	/nfs/dbraw/zinc/10/44/97/1185104497.db2.gz	FDDCYHUBRRWVGK-KPZWWZAWSA-N	-1	0	391.380	0.803	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1	ZINC000050208241	1185219223	/nfs/dbraw/zinc/21/92/23/1185219223.db2.gz	NWPSMYLWDMAVBT-UHFFFAOYSA-N	-1	0	392.393	0.919	20	5		GCBDRM
Cc1nn(CCC(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-]	ZINC000262089925	1185315135	/nfs/dbraw/zinc/31/51/35/1185315135.db2.gz	CJKIRNIHSOGQFT-CYBMUJFWSA-N	-1	0	395.416	0.580	20	5		GCBDRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000262172010	1185393756	/nfs/dbraw/zinc/39/37/56/1185393756.db2.gz	LOJAZPJOGOAHIO-JTQLQIEISA-N	-1	0	389.368	0.866	20	5		GCBDRM
COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000262240073	1185537601	/nfs/dbraw/zinc/53/76/01/1185537601.db2.gz	UFUASWUEQYOTDD-LLVKDONJSA-N	-1	0	379.369	0.999	20	5		GCBDRM
COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000262240075	1185543065	/nfs/dbraw/zinc/54/30/65/1185543065.db2.gz	UFUASWUEQYOTDD-NSHDSACASA-N	-1	0	379.369	0.999	20	5		GCBDRM
O=C(NC[C@@]1(CO)COC[C@@H]2CCCN21)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001648912212	1185687534	/nfs/dbraw/zinc/68/75/34/1185687534.db2.gz	VBYLDEALMOCMDN-MEDUHNTESA-N	-1	0	385.804	0.909	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000262281778	1185730008	/nfs/dbraw/zinc/73/00/08/1185730008.db2.gz	ZGZCRMZFMXPCCQ-KBPBESRZSA-N	-1	0	397.409	0.539	20	5		GCBDRM
CC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1	ZINC000262325672	1185746092	/nfs/dbraw/zinc/74/60/92/1185746092.db2.gz	DKNJUMYLMDYGKX-LBPRGKRZSA-N	-1	0	387.414	0.773	20	5		GCBDRM
C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000276588625	1185917587	/nfs/dbraw/zinc/91/75/87/1185917587.db2.gz	MRMKZECIFCPDKU-MRXNPFEDSA-N	-1	0	392.368	0.855	20	5		GCBDRM
CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1=O	ZINC000581944262	1186001366	/nfs/dbraw/zinc/00/13/66/1186001366.db2.gz	ZDUJAMXLAXNUCC-SNVBAGLBSA-N	-1	0	385.398	0.971	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000276834550	1186104965	/nfs/dbraw/zinc/10/49/65/1186104965.db2.gz	BNWBDBKVNMKAQD-CMPLNLGQSA-N	-1	0	385.398	0.551	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277194023	1186291317	/nfs/dbraw/zinc/29/13/17/1186291317.db2.gz	DKKCURDPXHFSGR-UHFFFAOYSA-N	-1	0	387.370	0.941	20	5		GCBDRM
Cc1cc(C)n(C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n1	ZINC000548528518	1186301195	/nfs/dbraw/zinc/30/11/95/1186301195.db2.gz	GBVPGLWRWWMUBQ-AWEZNQCLSA-N	-1	0	382.398	0.981	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000548533377	1186302954	/nfs/dbraw/zinc/30/29/54/1186302954.db2.gz	GVZRTHJBYBUUCW-PRHODGIISA-N	-1	0	388.354	0.149	20	5		GCBDRM
Cn1cc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C(=O)[O-])cn1	ZINC000548532900	1186303718	/nfs/dbraw/zinc/30/37/18/1186303718.db2.gz	SLUFQMHPINIGEO-ZDUSSCGKSA-N	-1	0	391.365	0.981	20	5		GCBDRM
CCS(=O)(=O)N1CCC(N(CC(=O)[O-])C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000262866676	1186324557	/nfs/dbraw/zinc/32/45/57/1186324557.db2.gz	CGOLJJYYKIUCLR-UHFFFAOYSA-N	-1	0	399.425	0.936	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c([N+](=O)[O-])c1	ZINC000548579325	1186326176	/nfs/dbraw/zinc/32/61/76/1186326176.db2.gz	HAEXGAWDPIQAFD-NEPJUHHUSA-N	-1	0	397.409	0.599	20	5		GCBDRM
CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000548591023	1186331275	/nfs/dbraw/zinc/33/12/75/1186331275.db2.gz	ATLOEDUCGAVWTB-NOZJJQNGSA-N	-1	0	390.370	0.259	20	5		GCBDRM
CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000548591025	1186331517	/nfs/dbraw/zinc/33/15/17/1186331517.db2.gz	ATLOEDUCGAVWTB-TVQRCGJNSA-N	-1	0	390.370	0.259	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000263038162	1186339428	/nfs/dbraw/zinc/33/94/28/1186339428.db2.gz	VKWDXJBHRYTNIW-APPDUMDISA-N	-1	0	379.369	0.663	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1[N+](=O)[O-]	ZINC000277350094	1186343514	/nfs/dbraw/zinc/34/35/14/1186343514.db2.gz	XGBKKVUXJCDVKJ-UHFFFAOYSA-N	-1	0	392.361	0.902	20	5		GCBDRM
CN(C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000551235582	1186402310	/nfs/dbraw/zinc/40/23/10/1186402310.db2.gz	XMPVVLUGEBGSNG-STQMWFEESA-N	-1	0	385.398	0.419	20	5		GCBDRM
O=C([O-])c1cnc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1	ZINC000263530361	1186406056	/nfs/dbraw/zinc/40/60/56/1186406056.db2.gz	WDOSUSOLOLWEAW-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
CO[C@@H](C)c1nc(=NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)s[n-]1	ZINC000511103319	1186505276	/nfs/dbraw/zinc/50/52/76/1186505276.db2.gz	CIMIDYQHSXXUIJ-QMMMGPOBSA-N	-1	0	393.381	0.940	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1	ZINC000582459026	1186538559	/nfs/dbraw/zinc/53/85/59/1186538559.db2.gz	UAQJXQAXMIKZLL-VHSXEESVSA-N	-1	0	383.382	0.573	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1=O	ZINC000478992357	1186547782	/nfs/dbraw/zinc/54/77/82/1186547782.db2.gz	AZBYGQMMEFOABP-MFKMUULPSA-N	-1	0	382.348	0.756	20	5		GCBDRM
O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000274644180	1186553499	/nfs/dbraw/zinc/55/34/99/1186553499.db2.gz	BUJGMPYYFLYBIA-GFCCVEGCSA-N	-1	0	387.414	0.519	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000288973213	1186567677	/nfs/dbraw/zinc/56/76/77/1186567677.db2.gz	QXCRDRHQKZWZHM-SECBINFHSA-N	-1	0	383.386	0.583	20	5		GCBDRM
CCOC(=O)CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000277989426	1186736214	/nfs/dbraw/zinc/73/62/14/1186736214.db2.gz	JQYWTPYHRBCXHS-JTQLQIEISA-N	-1	0	390.370	0.678	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	ZINC000583118779	1186774499	/nfs/dbraw/zinc/77/44/99/1186774499.db2.gz	YXYBCIHQBPBJHQ-HZMBPMFUSA-N	-1	0	393.352	0.763	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)NC)c([N+](=O)[O-])n1	ZINC000535990633	1186821459	/nfs/dbraw/zinc/82/14/59/1186821459.db2.gz	IBBQWMIEDHLEQD-UHFFFAOYSA-N	-1	0	383.386	0.980	20	5		GCBDRM
O=C([O-])c1cnc(N2CCN(S(=O)(=O)c3cccnc3)CC2)c([N+](=O)[O-])c1	ZINC000573210769	1187043912	/nfs/dbraw/zinc/04/39/12/1187043912.db2.gz	WOZYVFNEGQJLFU-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](Cc2cccc(OC)c2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000614325676	1187419396	/nfs/dbraw/zinc/41/93/96/1187419396.db2.gz	CXYJQKBMAKDKAZ-LBPRGKRZSA-N	-1	0	398.397	0.794	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)[C@H]1CCOC1	ZINC000516698614	1187475530	/nfs/dbraw/zinc/47/55/30/1187475530.db2.gz	RLFNVXJSDIWBCI-ZANVPECISA-N	-1	0	381.366	0.911	20	5		GCBDRM
O=C(NC(CO)CO)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000612556507	1187525225	/nfs/dbraw/zinc/52/52/25/1187525225.db2.gz	JKHVMJRIEFMSCW-UHFFFAOYSA-N	-1	0	395.393	0.479	20	5		GCBDRM
COCCCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000581313184	1187711364	/nfs/dbraw/zinc/71/13/64/1187711364.db2.gz	WDLRBICPEVSFDO-UHFFFAOYSA-N	-1	0	387.414	0.781	20	5		GCBDRM
CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1	ZINC000414315944	1187826385	/nfs/dbraw/zinc/82/63/85/1187826385.db2.gz	HBSROYNBSVXVNL-NSHDSACASA-N	-1	0	385.398	0.972	20	5		GCBDRM
CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000414337356	1187837853	/nfs/dbraw/zinc/83/78/53/1187837853.db2.gz	XHSZIQKQYVBJIY-ZWNOBZJWSA-N	-1	0	388.398	0.931	20	5		GCBDRM
CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1=O	ZINC000414347422	1187844212	/nfs/dbraw/zinc/84/42/12/1187844212.db2.gz	QYBQTNCPUMHHBL-VIFPVBQESA-N	-1	0	385.354	0.107	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000414450880	1187942788	/nfs/dbraw/zinc/94/27/88/1187942788.db2.gz	YXMYOQUFCBHUHW-WDEREUQCSA-N	-1	0	385.398	0.490	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O	ZINC000417445163	1189665634	/nfs/dbraw/zinc/66/56/34/1189665634.db2.gz	FRZSNNNNCQFVKZ-QWHCGFSZSA-N	-1	0	385.398	0.583	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000417447405	1189666842	/nfs/dbraw/zinc/66/68/42/1189666842.db2.gz	PJXOCRPHFPKJFK-GXFFZTMASA-N	-1	0	385.398	0.583	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000417448536	1189666917	/nfs/dbraw/zinc/66/69/17/1189666917.db2.gz	VDFSKJJLFQQVND-KGLIPLIRSA-N	-1	0	399.425	0.724	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000417447404	1189667109	/nfs/dbraw/zinc/66/71/09/1189667109.db2.gz	PJXOCRPHFPKJFK-GWCFXTLKSA-N	-1	0	385.398	0.583	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000759805785	1189744373	/nfs/dbraw/zinc/74/43/73/1189744373.db2.gz	RTEMJKDYWRLZBI-UHFFFAOYSA-N	-1	0	394.365	0.233	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432120450	1189878399	/nfs/dbraw/zinc/87/83/99/1189878399.db2.gz	ABQMWIKBJHCLOB-QWHCGFSZSA-N	-1	0	385.398	0.883	20	5		GCBDRM
Cc1c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000422582108	1194672280	/nfs/dbraw/zinc/67/22/80/1194672280.db2.gz	SXCHPPNENAZQRE-PSASIEDQSA-N	-1	0	385.398	0.876	20	5		GCBDRM
Cc1c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000422583140	1194672320	/nfs/dbraw/zinc/67/23/20/1194672320.db2.gz	BTFHZHVPFRFTKU-SCZZXKLOSA-N	-1	0	385.398	0.733	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)c([N+](=O)[O-])c1	ZINC000422654482	1194682571	/nfs/dbraw/zinc/68/25/71/1194682571.db2.gz	NJRPSZZHZSLNRI-SECBINFHSA-N	-1	0	379.325	0.561	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C)c([N+](=O)[O-])c1	ZINC000422684553	1194684310	/nfs/dbraw/zinc/68/43/10/1194684310.db2.gz	PCPSODMOSFSXHJ-KRWDZBQOSA-N	-1	0	393.352	0.952	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(=O)[O-]	ZINC000422672723	1194686320	/nfs/dbraw/zinc/68/63/20/1194686320.db2.gz	RHCAZLWMAIKVIS-JTQLQIEISA-N	-1	0	380.357	0.280	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000422674665	1194687112	/nfs/dbraw/zinc/68/71/12/1194687112.db2.gz	WTXSZFNZDYGYIW-SNVBAGLBSA-N	-1	0	394.384	0.534	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000422915731	1194707809	/nfs/dbraw/zinc/70/78/09/1194707809.db2.gz	BRGHWLQWGMPRJK-KRWDZBQOSA-N	-1	0	377.353	0.508	20	5		GCBDRM
CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1	ZINC000424223103	1194805819	/nfs/dbraw/zinc/80/58/19/1194805819.db2.gz	OOTVHLQZBNHAHQ-UHFFFAOYSA-N	-1	0	385.358	0.559	20	5		GCBDRM
CC(C)(CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000424237661	1194806309	/nfs/dbraw/zinc/80/63/09/1194806309.db2.gz	UUWCXFSQHNKAGG-UHFFFAOYSA-N	-1	0	387.414	0.880	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCS1(=O)=O	ZINC000424231133	1194806458	/nfs/dbraw/zinc/80/64/58/1194806458.db2.gz	APMLYZCBXIXQSC-LBPRGKRZSA-N	-1	0	379.350	0.467	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCS1(=O)=O	ZINC000424250498	1194806625	/nfs/dbraw/zinc/80/66/25/1194806625.db2.gz	UOXHONSTBDOKIH-ZDUSSCGKSA-N	-1	0	394.365	0.104	20	5		GCBDRM
Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000424250713	1194806824	/nfs/dbraw/zinc/80/68/24/1194806824.db2.gz	JIYUAHXKCUIVFI-OQPBUACISA-N	-1	0	385.398	0.876	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000424242009	1194807012	/nfs/dbraw/zinc/80/70/12/1194807012.db2.gz	LUFIIMXNFPDAKA-CYBMUJFWSA-N	-1	0	394.365	0.104	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000424241576	1194807048	/nfs/dbraw/zinc/80/70/48/1194807048.db2.gz	LLBJDDKTISJRPQ-CQSZACIVSA-N	-1	0	397.409	0.519	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1C	ZINC000424395256	1194810852	/nfs/dbraw/zinc/81/08/52/1194810852.db2.gz	VCCFOEWLTHFNJE-JTQLQIEISA-N	-1	0	397.369	0.166	20	5		GCBDRM
Cc1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000424416474	1194811342	/nfs/dbraw/zinc/81/13/42/1194811342.db2.gz	UXFQLXMNGBKJER-GXFFZTMASA-N	-1	0	385.398	0.857	20	5		GCBDRM
COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424467107	1194813969	/nfs/dbraw/zinc/81/39/69/1194813969.db2.gz	HNYOUJVALWCHMI-ZDUSSCGKSA-N	-1	0	381.366	0.840	20	5		GCBDRM
CN(Cc1n[n-]c(=O)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000425284765	1194890845	/nfs/dbraw/zinc/89/08/45/1194890845.db2.gz	RJUAVRYLBSXKIY-UHFFFAOYSA-N	-1	0	399.385	0.341	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c([N+](=O)[O-])n1	ZINC000435718959	1194960205	/nfs/dbraw/zinc/96/02/05/1194960205.db2.gz	HKCDYYGXZDZNFK-UHFFFAOYSA-N	-1	0	378.374	0.803	20	5		GCBDRM
COCc1nc(=NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)s[n-]1	ZINC000436028561	1194980062	/nfs/dbraw/zinc/98/00/62/1194980062.db2.gz	VONALQSSLURWFC-UHFFFAOYSA-N	-1	0	391.365	0.920	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@H]21	ZINC000505828824	1195011094	/nfs/dbraw/zinc/01/10/94/1195011094.db2.gz	YGDFHKIUYZGNSJ-ZIAGYGMSSA-N	-1	0	399.425	0.695	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])n1	ZINC000436702865	1195027422	/nfs/dbraw/zinc/02/74/22/1195027422.db2.gz	JVSYNQYVMIMEEM-UHFFFAOYSA-N	-1	0	381.370	0.727	20	5		GCBDRM
CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1O	ZINC000436714646	1195028849	/nfs/dbraw/zinc/02/88/49/1195028849.db2.gz	MTOAMSAKDOWEAI-UKRRQHHQSA-N	-1	0	395.412	0.759	20	5		GCBDRM
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000436781346	1195036538	/nfs/dbraw/zinc/03/65/38/1195036538.db2.gz	CDIPKHJCCOJIHV-ZDUSSCGKSA-N	-1	0	392.412	0.306	20	5		GCBDRM
CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1O	ZINC000436793173	1195037397	/nfs/dbraw/zinc/03/73/97/1195037397.db2.gz	QCDAPPNFQHKADG-ZIAGYGMSSA-N	-1	0	395.412	0.759	20	5		GCBDRM
CN(C)S(=O)(=O)c1ccc(N2CCc3[nH]nc(C(=O)[O-])c3C2)c([N+](=O)[O-])c1	ZINC000516298082	1195039827	/nfs/dbraw/zinc/03/98/27/1195039827.db2.gz	YVQUTAZUTKEMOM-UHFFFAOYSA-N	-1	0	395.397	0.829	20	5		GCBDRM
COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1S(N)(=O)=O	ZINC000436894800	1195043934	/nfs/dbraw/zinc/04/39/34/1195043934.db2.gz	UATNOHMLFUIPMW-UHFFFAOYSA-N	-1	0	395.393	0.929	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)c1[N+](=O)[O-]	ZINC000517378064	1195174802	/nfs/dbraw/zinc/17/48/02/1195174802.db2.gz	FRXZROBEBYPRLA-LBPRGKRZSA-N	-1	0	399.425	0.778	20	5		GCBDRM
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000506342577	1195244172	/nfs/dbraw/zinc/24/41/72/1195244172.db2.gz	ZGBITCAPNWVNMB-ZDUSSCGKSA-N	-1	0	392.412	0.306	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N2CC[C@H](Nc3ncccn3)C2)c1[N+](=O)[O-]	ZINC000518543168	1195301447	/nfs/dbraw/zinc/30/14/47/1195301447.db2.gz	FCZNHLXSVBBRGE-JTQLQIEISA-N	-1	0	393.381	0.958	20	5		GCBDRM
COC(=O)CC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCS(=O)(=O)CC1	ZINC000440128413	1195385888	/nfs/dbraw/zinc/38/58/88/1195385888.db2.gz	JEPTUFKJWPPXBS-UHFFFAOYSA-N	-1	0	386.382	0.541	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(CC(=O)NCc3ccccc3)n2)n1	ZINC000427453873	1195541303	/nfs/dbraw/zinc/54/13/03/1195541303.db2.gz	TYGHPKARQKVAJB-UHFFFAOYSA-N	-1	0	398.383	0.971	20	5		GCBDRM
COCCn1cc(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cn1	ZINC000507776075	1195783725	/nfs/dbraw/zinc/78/37/25/1195783725.db2.gz	PBLYEWFQJDVOAV-UHFFFAOYSA-N	-1	0	398.397	0.923	20	5		GCBDRM
CC(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000428053067	1195907824	/nfs/dbraw/zinc/90/78/24/1195907824.db2.gz	IXLJMVRGTGMKJM-CYBMUJFWSA-N	-1	0	387.414	0.879	20	5		GCBDRM
NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1	ZINC000521012645	1195952034	/nfs/dbraw/zinc/95/20/34/1195952034.db2.gz	TWGQSSFOINJHQY-UHFFFAOYSA-N	-1	0	396.356	0.750	20	5		GCBDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000521838724	1196020256	/nfs/dbraw/zinc/02/02/56/1196020256.db2.gz	XBPZSDIIPAYSLK-LLVKDONJSA-N	-1	0	388.354	0.482	20	5		GCBDRM
CNC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000025267185	1196091497	/nfs/dbraw/zinc/09/14/97/1196091497.db2.gz	DATHYEBRHNRXMM-UHFFFAOYSA-N	-1	0	392.393	0.871	20	5		GCBDRM
NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000519757136	1196393953	/nfs/dbraw/zinc/39/39/53/1196393953.db2.gz	HBQATMHXZWENKK-MGCOHNPYSA-N	-1	0	385.398	0.863	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3C)c([N+](=O)[O-])n1	ZINC000525499727	1196686297	/nfs/dbraw/zinc/68/62/97/1196686297.db2.gz	YDVNMYJNDFAZMW-UHFFFAOYSA-N	-1	0	381.370	0.967	20	5		GCBDRM
CC[C@H]1CN(CCNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1	ZINC000447154206	1196696615	/nfs/dbraw/zinc/69/66/15/1196696615.db2.gz	SBPFEEIJRGIJCZ-ZDUSSCGKSA-N	-1	0	387.414	0.682	20	5		GCBDRM
Cc1cc(=O)c(C(=O)NCCc2nc(=O)o[n-]2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000447634742	1196735624	/nfs/dbraw/zinc/73/56/24/1196735624.db2.gz	UYTSSPIGECMIQA-UHFFFAOYSA-N	-1	0	386.324	0.098	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C	ZINC000530488279	1196992057	/nfs/dbraw/zinc/99/20/57/1196992057.db2.gz	CACLQGRNMJENMP-ZDUSSCGKSA-N	-1	0	384.370	0.750	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C	ZINC000530541375	1196994440	/nfs/dbraw/zinc/99/44/40/1196994440.db2.gz	ZBQZGJDOHXGRPS-ZDUSSCGKSA-N	-1	0	384.370	0.750	20	5		GCBDRM
CC1(Cn2cc(C(=O)[N-]S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)nn2)COC1	ZINC000760195758	1197208550	/nfs/dbraw/zinc/20/85/50/1197208550.db2.gz	JDCKNRYZDJBOQD-UHFFFAOYSA-N	-1	0	399.360	0.481	20	5		GCBDRM
CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1	ZINC000263014287	1197221149	/nfs/dbraw/zinc/22/11/49/1197221149.db2.gz	LTHVHOMICBUNNE-STQMWFEESA-N	-1	0	375.341	0.880	20	5		GCBDRM
O=C([O-])C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000532692939	1197386812	/nfs/dbraw/zinc/38/68/12/1197386812.db2.gz	YGPQLNMHQABXLI-GFCCVEGCSA-N	-1	0	399.425	0.977	20	5		GCBDRM
CCn1cc(S(=O)(=O)NC[C@@H](C(=O)OC)C2CCOCC2)c([N+](=O)[O-])n1	ZINC000532853521	1197415571	/nfs/dbraw/zinc/41/55/71/1197415571.db2.gz	FOIYTTZUXMAWFS-LLVKDONJSA-N	-1	0	390.418	0.305	20	5		GCBDRM
COc1ccc(CC(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000553729456	1198974531	/nfs/dbraw/zinc/97/45/31/1198974531.db2.gz	AMDIHEMGALYVHM-UHFFFAOYSA-N	-1	0	393.396	0.928	20	5		GCBDRM
Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000273424246	1198992035	/nfs/dbraw/zinc/99/20/35/1198992035.db2.gz	WDDMVRYTWBWZLK-UHFFFAOYSA-N	-1	0	383.368	0.940	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1	ZINC000273659730	1199059105	/nfs/dbraw/zinc/05/91/05/1199059105.db2.gz	HWFNIRLZDIBTHG-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1)Nc1nncs1	ZINC000265840135	1199601210	/nfs/dbraw/zinc/60/12/10/1199601210.db2.gz	WZDYQNNPIALFKD-UHFFFAOYSA-N	-1	0	392.397	0.548	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])n1	ZINC000611107338	1201216573	/nfs/dbraw/zinc/21/65/73/1201216573.db2.gz	KQEWAVOARZZLCU-CHWSQXEVSA-N	-1	0	387.462	0.733	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])n1	ZINC000611107339	1201216707	/nfs/dbraw/zinc/21/67/07/1201216707.db2.gz	KQEWAVOARZZLCU-OLZOCXBDSA-N	-1	0	387.462	0.733	20	5		GCBDRM
C[C@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000729908681	1201419429	/nfs/dbraw/zinc/41/94/29/1201419429.db2.gz	URRCFTSAEWYAFS-NSHDSACASA-N	-1	0	379.398	0.994	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000730528941	1201452753	/nfs/dbraw/zinc/45/27/53/1201452753.db2.gz	RMZMLDZVJVUOEJ-UHFFFAOYSA-N	-1	0	383.368	0.328	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730656765	1201459440	/nfs/dbraw/zinc/45/94/40/1201459440.db2.gz	IGFWVFIQKUMBPA-UHFFFAOYSA-N	-1	0	386.324	0.470	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cn1	ZINC000731545573	1201488058	/nfs/dbraw/zinc/48/80/58/1201488058.db2.gz	CUVNNXZMKRVDFQ-UHFFFAOYSA-N	-1	0	377.342	0.028	20	5		GCBDRM
O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000731548722	1201488912	/nfs/dbraw/zinc/48/89/12/1201488912.db2.gz	KKGIPPXGCAGSCT-CYBMUJFWSA-N	-1	0	395.397	0.804	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732496057	1201546362	/nfs/dbraw/zinc/54/63/62/1201546362.db2.gz	VKINXZBNWJBFJQ-NSHDSACASA-N	-1	0	394.365	0.693	20	5		GCBDRM
CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1	ZINC000732618952	1201550817	/nfs/dbraw/zinc/55/08/17/1201550817.db2.gz	MFDYJEFAQVPUGV-IHWYPQMZSA-N	-1	0	396.406	0.929	20	5		GCBDRM
O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000733718408	1201604379	/nfs/dbraw/zinc/60/43/79/1201604379.db2.gz	FDNIJJHQILNFTI-LBPRGKRZSA-N	-1	0	385.398	0.280	20	5		GCBDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733716948	1201604646	/nfs/dbraw/zinc/60/46/46/1201604646.db2.gz	XOURCXJOQQEWGO-VHSXEESVSA-N	-1	0	389.386	0.273	20	5		GCBDRM
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000733719899	1201604997	/nfs/dbraw/zinc/60/49/97/1201604997.db2.gz	RHQFKJUTWZLMPM-NSHDSACASA-N	-1	0	399.381	0.518	20	5		GCBDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1	ZINC000733864482	1201610716	/nfs/dbraw/zinc/61/07/16/1201610716.db2.gz	HYUQHMOWCXPBHZ-UHFFFAOYSA-N	-1	0	399.406	0.820	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccccc2OCC(N)=O)ccc1[N+](=O)[O-]	ZINC000734736185	1201661428	/nfs/dbraw/zinc/66/14/28/1201661428.db2.gz	BTBWLZICBUTCIP-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1	ZINC000735778493	1201700841	/nfs/dbraw/zinc/70/08/41/1201700841.db2.gz	CZKBSBQTTMGISW-UHFFFAOYSA-N	-1	0	394.344	0.621	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000736166638	1201709985	/nfs/dbraw/zinc/70/99/85/1201709985.db2.gz	HMZZRDJRAIDFBX-JTQLQIEISA-N	-1	0	384.356	0.087	20	5		GCBDRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)cc1	ZINC000741108339	1201757733	/nfs/dbraw/zinc/75/77/33/1201757733.db2.gz	WOAWJMWTEYOCPG-UHFFFAOYSA-N	-1	0	381.370	0.645	20	5		GCBDRM
COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000741426015	1201779877	/nfs/dbraw/zinc/77/98/77/1201779877.db2.gz	BNIDQTKRSTZVLM-AWEZNQCLSA-N	-1	0	387.414	0.328	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccn2c(=O)[nH]nc12	ZINC000766279257	1201786961	/nfs/dbraw/zinc/78/69/61/1201786961.db2.gz	VXAYHFMJKGSPBE-UHFFFAOYSA-N	-1	0	381.301	0.601	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C)c([N+](=O)[O-])c1	ZINC000744012954	1201833681	/nfs/dbraw/zinc/83/36/81/1201833681.db2.gz	URGFVJZCEAJEBR-UHFFFAOYSA-N	-1	0	387.414	0.961	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cn(Cc2ccccn2)nn1	ZINC000744131419	1201835983	/nfs/dbraw/zinc/83/59/83/1201835983.db2.gz	FEXOAMGURCILPW-UHFFFAOYSA-N	-1	0	394.394	0.810	20	5		GCBDRM
CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000744242253	1201838911	/nfs/dbraw/zinc/83/89/11/1201838911.db2.gz	ANIRRHPHHLBKSJ-AWEZNQCLSA-N	-1	0	398.441	0.821	20	5		GCBDRM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(C[C@H]2CCCS2(=O)=O)CC1	ZINC001169753746	1201956037	/nfs/dbraw/zinc/95/60/37/1201956037.db2.gz	YZLKZTLFAXHMRN-GFCCVEGCSA-N	-1	0	383.426	0.635	20	5		GCBDRM
C[C@@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O	ZINC000767533355	1201976609	/nfs/dbraw/zinc/97/66/09/1201976609.db2.gz	XTXCTCGKGOZHNC-HNNXBMFYSA-N	-1	0	391.365	0.650	20	5		GCBDRM
CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1	ZINC000770143186	1202087245	/nfs/dbraw/zinc/08/72/45/1202087245.db2.gz	WHYFMOCWNJZAOK-UHFFFAOYSA-N	-1	0	398.441	0.733	20	5		GCBDRM
NC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1	ZINC000770774271	1202110675	/nfs/dbraw/zinc/11/06/75/1202110675.db2.gz	YMXIGXBMNOERMU-UHFFFAOYSA-N	-1	0	397.340	0.717	20	5		GCBDRM
Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(=O)[nH]1	ZINC000770773980	1202110985	/nfs/dbraw/zinc/11/09/85/1202110985.db2.gz	YZCZJDVSQIQOLZ-UHFFFAOYSA-N	-1	0	384.345	0.894	20	5		GCBDRM
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1	ZINC000789490749	1205441614	/nfs/dbraw/zinc/44/16/14/1205441614.db2.gz	VSTDDISOXGXKPM-UHFFFAOYSA-N	-1	0	378.366	0.777	20	5		GCBDRM
COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000789579501	1205443064	/nfs/dbraw/zinc/44/30/64/1205443064.db2.gz	RIXBXUDPMWCAMN-UHFFFAOYSA-N	-1	0	382.354	0.224	20	5		GCBDRM
C[C@H](CCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000790613995	1205467964	/nfs/dbraw/zinc/46/79/64/1205467964.db2.gz	AXWVTFWYHRDMHP-SECBINFHSA-N	-1	0	387.370	0.941	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)ccc1[N+](=O)[O-]	ZINC000793174552	1205496773	/nfs/dbraw/zinc/49/67/73/1205496773.db2.gz	WFMRGSMOJHYSNT-UHFFFAOYSA-N	-1	0	384.370	0.359	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1	ZINC000747309359	1205551480	/nfs/dbraw/zinc/55/14/80/1205551480.db2.gz	NPXFNGBWIJRBNX-UHFFFAOYSA-N	-1	0	378.326	0.346	20	5		GCBDRM
Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC2	ZINC000810518750	1205639480	/nfs/dbraw/zinc/63/94/80/1205639480.db2.gz	QPTWBELOEWVFKT-NSHDSACASA-N	-1	0	379.398	0.474	20	5		GCBDRM
COCC1(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCOCC1	ZINC000810519348	1205639555	/nfs/dbraw/zinc/63/95/55/1205639555.db2.gz	NBMIWOSESLSEBD-UHFFFAOYSA-N	-1	0	388.398	0.852	20	5		GCBDRM
COC(=O)c1cccc(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1	ZINC000810610446	1205640667	/nfs/dbraw/zinc/64/06/67/1205640667.db2.gz	WRGRTUSXFQLKAM-UHFFFAOYSA-N	-1	0	379.350	0.824	20	5		GCBDRM
CS(=O)(=O)c1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000810608855	1205640683	/nfs/dbraw/zinc/64/06/83/1205640683.db2.gz	BPJJQFLMAYFARG-UHFFFAOYSA-N	-1	0	399.406	0.441	20	5		GCBDRM
O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000812318089	1205663693	/nfs/dbraw/zinc/66/36/93/1205663693.db2.gz	RXQOBZJJXYGROP-UHFFFAOYSA-N	-1	0	382.310	0.892	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1C(N)=O	ZINC000105898293	1205667241	/nfs/dbraw/zinc/66/72/41/1205667241.db2.gz	WBYWVAWMACZHFV-UHFFFAOYSA-N	-1	0	383.386	0.237	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cnn1C	ZINC000813953357	1205683662	/nfs/dbraw/zinc/68/36/62/1205683662.db2.gz	SDJKZIVIWDTQFE-UHFFFAOYSA-N	-1	0	395.397	0.262	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000813988935	1205684966	/nfs/dbraw/zinc/68/49/66/1205684966.db2.gz	UOAAWVFMBPMUBZ-UHFFFAOYSA-N	-1	0	395.397	0.262	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000813988961	1205684989	/nfs/dbraw/zinc/68/49/89/1205684989.db2.gz	VSERHLCXBGQTLP-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
Cn1nccc1CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000774031198	1205860326	/nfs/dbraw/zinc/86/03/26/1205860326.db2.gz	LTUKCTHJKUOVLB-UHFFFAOYSA-N	-1	0	383.342	0.674	20	5		GCBDRM
Cn1c2ccc(S(=O)(=O)[N-]C(=O)c3cccc([N+](=O)[O-])c3)cc2n(C)c1=O	ZINC000774909151	1205926516	/nfs/dbraw/zinc/92/65/16/1205926516.db2.gz	IVWHKRNKJRYZLR-UHFFFAOYSA-N	-1	0	390.377	0.904	20	5		GCBDRM
CC(C)(C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2)n1cc([N+](=O)[O-])cn1	ZINC000775308463	1206015358	/nfs/dbraw/zinc/01/53/58/1206015358.db2.gz	KWSLNZZLUVHIFS-UHFFFAOYSA-N	-1	0	382.354	0.760	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)ccc1[N+](=O)[O-]	ZINC000262841876	939077669	/nfs/dbraw/zinc/07/76/69/939077669.db2.gz	RKFCTEPRGIYSGH-WFASDCNBSA-N	-1	0	379.369	0.629	20	5		GCBDRM
O=C([O-])C1(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCS(=O)(=O)CC1	ZINC000519066461	939251471	/nfs/dbraw/zinc/25/14/71/939251471.db2.gz	GNHPGAKMSWDIQV-UHFFFAOYSA-N	-1	0	385.398	0.469	20	5		GCBDRM
Cn1nccc1[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000592469577	939801526	/nfs/dbraw/zinc/80/15/26/939801526.db2.gz	VDMOOJZEXGDLEM-CQSZACIVSA-N	-1	0	375.341	0.390	20	5		GCBDRM
O=C([O-])[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1	ZINC000595996113	939802539	/nfs/dbraw/zinc/80/25/39/939802539.db2.gz	WQERWIIVOGNFJY-AWEZNQCLSA-N	-1	0	399.425	0.880	20	5		GCBDRM
CS(=O)(=O)c1ccc(NCCNC(=O)[C@H](C(=O)[O-])C2CC2)c([N+](=O)[O-])c1	ZINC000595995349	939802552	/nfs/dbraw/zinc/80/25/52/939802552.db2.gz	PDUBOVRIFYRTJU-CYBMUJFWSA-N	-1	0	385.398	0.637	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1	ZINC000597161927	939803631	/nfs/dbraw/zinc/80/36/31/939803631.db2.gz	PGSXKHOPASDIDG-CQSZACIVSA-N	-1	0	399.787	0.974	20	5		GCBDRM
COCCn1nc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1=O	ZINC000600877776	939805875	/nfs/dbraw/zinc/80/58/75/939805875.db2.gz	UBMXXVYKBSZYRF-QGZVFWFLSA-N	-1	0	390.352	0.528	20	5		GCBDRM
C[C@@](NC(=O)CCN1CCCS1(=O)=O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600879024	939806413	/nfs/dbraw/zinc/80/64/13/939806413.db2.gz	VCAFIEJMQFCUKB-HNNXBMFYSA-N	-1	0	385.398	0.436	20	5		GCBDRM
CC(C)(C)n1nnc(CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1	ZINC000600883104	939807195	/nfs/dbraw/zinc/80/71/95/939807195.db2.gz	WRAVLFLHKNYJJI-INIZCTEOSA-N	-1	0	376.373	0.995	20	5		GCBDRM
CO[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000826146902	947469097	/nfs/dbraw/zinc/46/90/97/947469097.db2.gz	HSSMAEWTITYFQC-SNVBAGLBSA-N	-1	0	382.402	0.965	20	5		GCBDRM
Cc1cn2c(n1)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)CC2	ZINC000826316891	947922604	/nfs/dbraw/zinc/92/26/04/947922604.db2.gz	CVJHUPLNPIDMOW-UHFFFAOYSA-N	-1	0	390.385	0.484	20	5		GCBDRM
CC(=O)NCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC001602753590	971463052	/nfs/dbraw/zinc/46/30/52/971463052.db2.gz	UPLHRGWTTWFZOE-NSHDSACASA-N	-1	0	379.369	0.996	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826450279	948316783	/nfs/dbraw/zinc/31/67/83/948316783.db2.gz	DWVUGNAGFIYJJV-UHFFFAOYSA-N	-1	0	381.305	0.361	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000262444146	950125897	/nfs/dbraw/zinc/12/58/97/950125897.db2.gz	QEVDCIYEQXKLCD-LLVKDONJSA-N	-1	0	387.414	0.378	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC000262481317	950132412	/nfs/dbraw/zinc/13/24/12/950132412.db2.gz	RVCHUSPIDKKFJL-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
CN(CCC(=O)[O-])C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262878048	950181382	/nfs/dbraw/zinc/18/13/82/950181382.db2.gz	KWWNEWFDTINLTO-CYBMUJFWSA-N	-1	0	385.398	0.681	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1	ZINC000263002708	950211480	/nfs/dbraw/zinc/21/14/80/950211480.db2.gz	MKKVHOIAOOOUSO-QGZVFWFLSA-N	-1	0	393.352	0.270	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C	ZINC000263349898	950393067	/nfs/dbraw/zinc/39/30/67/950393067.db2.gz	VFFQXUWZMMFBBE-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1	ZINC000277203593	950522516	/nfs/dbraw/zinc/52/25/16/950522516.db2.gz	FVTQVEBASJCUJZ-LLVKDONJSA-N	-1	0	385.354	0.789	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1=O	ZINC001595097062	951826644	/nfs/dbraw/zinc/82/66/44/951826644.db2.gz	UBGBBVDLMAKNPJ-NSHDSACASA-N	-1	0	389.361	0.478	20	5		GCBDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1	ZINC001589269065	953395364	/nfs/dbraw/zinc/39/53/64/953395364.db2.gz	PGCDNJMORYLPEU-VHSXEESVSA-N	-1	0	375.337	0.760	20	5		GCBDRM
C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000566235368	953624193	/nfs/dbraw/zinc/62/41/93/953624193.db2.gz	SJCQJHQCEZUCMD-FZMZJTMJSA-N	-1	0	399.425	0.832	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000591562486	953743407	/nfs/dbraw/zinc/74/34/07/953743407.db2.gz	CJVZFWBHPOFBEY-ZDUSSCGKSA-N	-1	0	385.398	0.497	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C	ZINC000598583882	953783037	/nfs/dbraw/zinc/78/30/37/953783037.db2.gz	GGATUMCYIUINAL-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
COC(=O)C1CC2(C1)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H]2C(=O)[O-]	ZINC001593826712	955108785	/nfs/dbraw/zinc/10/87/85/955108785.db2.gz	VTHIJQIQWBXXRP-CSJGVYOVSA-N	-1	0	398.393	0.869	20	5		GCBDRM
COc1ccc(CSCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000738095911	955232932	/nfs/dbraw/zinc/23/29/32/955232932.db2.gz	IZMOBPMXILMTBC-UHFFFAOYSA-N	-1	0	397.409	0.592	20	5		GCBDRM
O=C([O-])CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000743352707	955261639	/nfs/dbraw/zinc/26/16/39/955261639.db2.gz	YKUMVXLGEYGPJI-UHFFFAOYSA-N	-1	0	385.398	0.683	20	5		GCBDRM
C[C@@H](CC(=O)[O-])Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC001589007801	955375145	/nfs/dbraw/zinc/37/51/45/955375145.db2.gz	IDYUMVUBOPJHHJ-NSHDSACASA-N	-1	0	386.430	0.806	20	5		GCBDRM
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F	ZINC001593842307	955376771	/nfs/dbraw/zinc/37/67/71/955376771.db2.gz	YLPJGTWJYGMMKX-UHFFFAOYSA-N	-1	0	378.334	0.681	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC001593961764	956490919	/nfs/dbraw/zinc/49/09/19/956490919.db2.gz	OVLZTCAGPXCIMU-MRXNPFEDSA-N	-1	0	399.787	0.928	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1	ZINC001593973830	956645467	/nfs/dbraw/zinc/64/54/67/956645467.db2.gz	LUTPJOVCVGSNJT-KRWDZBQOSA-N	-1	0	377.353	0.878	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCO1	ZINC001593983094	956726978	/nfs/dbraw/zinc/72/69/78/956726978.db2.gz	FSQFWKXLTGCNSO-OAHLLOKOSA-N	-1	0	388.398	0.702	20	5		GCBDRM
C[C@](CO)(NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1	ZINC001603203323	972313352	/nfs/dbraw/zinc/31/33/52/972313352.db2.gz	ZHKHZFRTRIIOLH-CXAGYDPISA-N	-1	0	379.369	0.242	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1[N+](=O)[O-]	ZINC001594352357	958375608	/nfs/dbraw/zinc/37/56/08/958375608.db2.gz	SBHCTVQKBASOCV-LBPRGKRZSA-N	-1	0	399.425	0.956	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC001573484785	958989738	/nfs/dbraw/zinc/98/97/38/958989738.db2.gz	POGWPAXWBFXEGU-CYBMUJFWSA-N	-1	0	387.414	0.688	20	5		GCBDRM
C[C@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1C(=O)[O-]	ZINC001573726481	960412437	/nfs/dbraw/zinc/41/24/37/960412437.db2.gz	NCNZZQYBLUVUEI-XPTSAGLGSA-N	-1	0	375.337	0.903	20	5		GCBDRM
O=C([O-])[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000236500517	960690764	/nfs/dbraw/zinc/69/07/64/960690764.db2.gz	SDIWPTMJWSLGTK-QMMMGPOBSA-N	-1	0	380.094	0.375	20	5		GCBDRM
O=C([O-])[C@@]1(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCOC1	ZINC001261835041	960763801	/nfs/dbraw/zinc/76/38/01/960763801.db2.gz	GKIDNJHKENJJDA-QGZVFWFLSA-N	-1	0	375.385	0.832	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001574381618	961104712	/nfs/dbraw/zinc/10/47/12/961104712.db2.gz	BXIABQKKVXGQNH-GFCCVEGCSA-N	-1	0	385.398	0.647	20	5		GCBDRM
Cc1nn(CCC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c(C)c1[N+](=O)[O-]	ZINC001574434686	961396240	/nfs/dbraw/zinc/39/62/40/961396240.db2.gz	PLCLZUMRJQFMAC-GFCCVEGCSA-N	-1	0	381.389	0.380	20	5		GCBDRM
CCCC[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262272813	961608829	/nfs/dbraw/zinc/60/88/29/961608829.db2.gz	IWZGZMGLUQQOTR-ZDUSSCGKSA-N	-1	0	387.414	0.975	20	5		GCBDRM
O=C([O-])C[C@@]1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOC1	ZINC000262814950	961883651	/nfs/dbraw/zinc/88/36/51/961883651.db2.gz	BFRFFVZIUOABMH-INIZCTEOSA-N	-1	0	379.325	0.070	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001574013899	961933555	/nfs/dbraw/zinc/93/35/55/961933555.db2.gz	IVQDUTQAGDTMIV-WDEREUQCSA-N	-1	0	385.398	0.442	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC001574592083	962131050	/nfs/dbraw/zinc/13/10/50/962131050.db2.gz	YLWUADWHFJCWPB-BETUJISGSA-N	-1	0	376.369	0.925	20	5		GCBDRM
Cc1c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])nnn1-c1cccc([N+](=O)[O-])c1	ZINC000263339320	962491025	/nfs/dbraw/zinc/49/10/25/962491025.db2.gz	WZCYTOMOMAQZJO-ZDUSSCGKSA-N	-1	0	375.341	0.800	20	5		GCBDRM
CC(C)c1[nH]nc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-]	ZINC001588963820	962640760	/nfs/dbraw/zinc/64/07/60/962640760.db2.gz	WCHJLAYSCHCPCD-SNVBAGLBSA-N	-1	0	393.400	0.979	20	5		GCBDRM
C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C(=O)[O-]	ZINC000262834742	967828038	/nfs/dbraw/zinc/82/80/38/967828038.db2.gz	CNFQKVODTQUNEH-JQWIXIFHSA-N	-1	0	377.353	0.889	20	5		GCBDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000263094095	967845578	/nfs/dbraw/zinc/84/55/78/967845578.db2.gz	CIVPJSWGVNMBNA-MNOVXSKESA-N	-1	0	385.398	0.585	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1	ZINC000263358376	967878618	/nfs/dbraw/zinc/87/86/18/967878618.db2.gz	RKSCVQCHAOHHBR-GHMZBOCLSA-N	-1	0	377.353	0.889	20	5		GCBDRM
O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000368988575	968059376	/nfs/dbraw/zinc/05/93/76/968059376.db2.gz	ACJDKJJVZQWWHB-ZFWWWQNUSA-N	-1	0	387.352	0.334	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1	ZINC000515365594	968389243	/nfs/dbraw/zinc/38/92/43/968389243.db2.gz	MHEKGCWGMVEXNS-HNNXBMFYSA-N	-1	0	387.414	0.773	20	5		GCBDRM
C[C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC000567879232	968436248	/nfs/dbraw/zinc/43/62/48/968436248.db2.gz	OBBAOOHIBFWDPD-FZMZJTMJSA-N	-1	0	378.385	0.963	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(CC(=O)[O-])CCC1	ZINC001604177485	972597089	/nfs/dbraw/zinc/59/70/89/972597089.db2.gz	FWFMIQXHUDDLDP-UHFFFAOYSA-N	-1	0	399.425	0.977	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605093946	972752551	/nfs/dbraw/zinc/75/25/51/972752551.db2.gz	ZBUGCEPQCMKDSM-LLVKDONJSA-N	-1	0	385.398	0.647	20	5		GCBDRM
C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-]	ZINC001603442532	973234731	/nfs/dbraw/zinc/23/47/31/973234731.db2.gz	FQYKFIPCTUZBDB-FZMZJTMJSA-N	-1	0	378.385	0.963	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1=O	ZINC001606255987	973591925	/nfs/dbraw/zinc/59/19/25/973591925.db2.gz	UBPCACLPUMZOAZ-GFCCVEGCSA-N	-1	0	393.352	0.562	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1=O	ZINC001606257176	973601849	/nfs/dbraw/zinc/60/18/49/973601849.db2.gz	ICFMBLOUXOWTGY-LBPRGKRZSA-N	-1	0	379.369	0.946	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCO1	ZINC001604558260	973605461	/nfs/dbraw/zinc/60/54/61/973605461.db2.gz	VLLBVAIQFWRWDE-AWEZNQCLSA-N	-1	0	391.739	0.912	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC001606458633	973900521	/nfs/dbraw/zinc/90/05/21/973900521.db2.gz	JAVSAOZXMSARCB-PHIMTYICSA-N	-1	0	385.398	0.891	20	5		GCBDRM
CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000478951743	974215479	/nfs/dbraw/zinc/21/54/79/974215479.db2.gz	UVYVXGAGSSIHHY-XWCIJXRUSA-N	-1	0	395.416	0.777	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-]	ZINC000566735132	974619885	/nfs/dbraw/zinc/61/98/85/974619885.db2.gz	ATPQSHCVBLGHAU-BMIGLBTASA-N	-1	0	386.382	0.909	20	5		GCBDRM
COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000572153420	974742746	/nfs/dbraw/zinc/74/27/46/974742746.db2.gz	VPCZWPFFUZAATJ-LLVKDONJSA-N	-1	0	388.398	0.967	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1	ZINC000574036640	974775970	/nfs/dbraw/zinc/77/59/70/974775970.db2.gz	YEQNEPYOYKMHAK-BMIGLBTASA-N	-1	0	386.382	0.862	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)[O-])C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000581375179	974909739	/nfs/dbraw/zinc/90/97/39/974909739.db2.gz	RSXCDFOMLOCMQN-OAHLLOKOSA-N	-1	0	399.425	0.773	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@]2(CCOC2)O1	ZINC000592141502	974972848	/nfs/dbraw/zinc/97/28/48/974972848.db2.gz	AGBSDOOIHFIAJU-BMIGLBTASA-N	-1	0	386.382	0.862	20	5		GCBDRM
O=C([O-])[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)CC1CC1	ZINC000593699385	974983159	/nfs/dbraw/zinc/98/31/59/974983159.db2.gz	FLYVTCKMBKXCMN-NSHDSACASA-N	-1	0	377.353	0.937	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1	ZINC000615778420	975022689	/nfs/dbraw/zinc/02/26/89/975022689.db2.gz	BCEOAUXSHOKLBV-KGLIPLIRSA-N	-1	0	377.353	0.511	20	5		GCBDRM
C[C@H](CN1CCOCC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001592623298	978593502	/nfs/dbraw/zinc/59/35/02/978593502.db2.gz	GESPJYNKYJAZMF-LLVKDONJSA-N	-1	0	387.414	0.634	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC000776714590	978774084	/nfs/dbraw/zinc/77/40/84/978774084.db2.gz	HSKGNDIESAFNLO-UHFFFAOYSA-N	-1	0	399.381	0.988	20	5		GCBDRM
O=C([O-])CCCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000817113130	978902315	/nfs/dbraw/zinc/90/23/15/978902315.db2.gz	REZRPNZXGBSZIR-UHFFFAOYSA-N	-1	0	378.385	0.615	20	5		GCBDRM
O=C([O-])CCCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000817116395	978903611	/nfs/dbraw/zinc/90/36/11/978903611.db2.gz	VDDNWULBNBJWIY-UHFFFAOYSA-N	-1	0	378.385	0.615	20	5		GCBDRM
Cc1nn(CCC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c(C)c1[N+](=O)[O-]	ZINC000818317866	978913595	/nfs/dbraw/zinc/91/35/95/978913595.db2.gz	MZVAJCWGACLYMD-NSHDSACASA-N	-1	0	377.361	0.562	20	5		GCBDRM
O=C([O-])c1cn([C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)nn1	ZINC000818319142	978915715	/nfs/dbraw/zinc/91/57/15/978915715.db2.gz	FMYUZLBNGHZELM-QMMMGPOBSA-N	-1	0	375.297	0.700	20	5		GCBDRM
C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1	ZINC000827375541	978958203	/nfs/dbraw/zinc/95/82/03/978958203.db2.gz	ZBWFAXSBCUSTNO-LLVKDONJSA-N	-1	0	399.425	0.619	20	5		GCBDRM
COc1cc(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000830057769	979011782	/nfs/dbraw/zinc/01/17/82/979011782.db2.gz	GIYSDRWAUKWCGP-ZUZCIYMTSA-N	-1	0	386.382	0.715	20	5		GCBDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000844220045	979384209	/nfs/dbraw/zinc/38/42/09/979384209.db2.gz	ZOUYIKIZISUHSW-DGCLKSJQSA-N	-1	0	399.425	0.915	20	5		GCBDRM
C[C@](NC(=O)CCC(=O)N1CCC(O)CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593015180	980260996	/nfs/dbraw/zinc/26/09/96/980260996.db2.gz	IBAYISNSGWGFAD-GOSISDBHSA-N	-1	0	393.396	0.774	20	5		GCBDRM
CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001595401378	980975519	/nfs/dbraw/zinc/97/55/19/980975519.db2.gz	ISSBMNPSNBDGIQ-GFCCVEGCSA-N	-1	0	385.398	0.924	20	5		GCBDRM
CC[C@H](C)[C@H](NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001594894635	982324422	/nfs/dbraw/zinc/32/44/22/982324422.db2.gz	WNEMZPQTPRLTAP-WFASDCNBSA-N	-1	0	379.417	0.727	20	5		GCBDRM
CC[C@H](C)[C@@H](NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001594894634	982324736	/nfs/dbraw/zinc/32/47/36/982324736.db2.gz	WNEMZPQTPRLTAP-SWLSCSKDSA-N	-1	0	379.417	0.727	20	5		GCBDRM
CCCN1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC001595909159	982993675	/nfs/dbraw/zinc/99/36/75/982993675.db2.gz	DBPWHXZJNAUMMP-UHFFFAOYSA-N	-1	0	378.385	0.858	20	5		GCBDRM
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC001596284347	983704421	/nfs/dbraw/zinc/70/44/21/983704421.db2.gz	UBXFCZASUZCCMV-YGRLFVJLSA-N	-1	0	387.414	0.650	20	5		GCBDRM
C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-]	ZINC001599916412	985063693	/nfs/dbraw/zinc/06/36/93/985063693.db2.gz	DXMREEWETRHQNQ-ZBEGNZNMSA-N	-1	0	399.425	0.785	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@H]3C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001589085559	985258081	/nfs/dbraw/zinc/25/80/81/985258081.db2.gz	WWNHQCYDANFGQD-AWEZNQCLSA-N	-1	0	376.369	0.562	20	5		GCBDRM
C[C@H]1OCC[C@@]12CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CCO2	ZINC001594644033	986829862	/nfs/dbraw/zinc/82/98/62/986829862.db2.gz	ZWAYJLQIVGJGRC-MEBBXXQBSA-N	-1	0	386.382	0.862	20	5		GCBDRM
CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001597142564	986888188	/nfs/dbraw/zinc/88/81/88/986888188.db2.gz	CMLIZOTWDWISFM-NOZJJQNGSA-N	-1	0	381.341	0.633	20	5		GCBDRM
CCC(=O)N1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC001594701001	987139821	/nfs/dbraw/zinc/13/98/21/987139821.db2.gz	ZECRPFQMQVIBFC-UHFFFAOYSA-N	-1	0	385.398	0.926	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001599793853	988059215	/nfs/dbraw/zinc/05/92/15/988059215.db2.gz	BGSXDOISSAUUBH-COMAGPEQSA-N	-1	0	397.409	0.828	20	5		GCBDRM
CSc1cccc(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-]	ZINC001599822144	988532259	/nfs/dbraw/zinc/53/22/59/988532259.db2.gz	OBDWSBSCYMKBEO-IINYFYTJSA-N	-1	0	388.423	0.934	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O[C@H]1C(=O)[O-]	ZINC001599875087	989407072	/nfs/dbraw/zinc/40/70/72/989407072.db2.gz	WXXRYQVGNNNVCS-KCPJHIHWSA-N	-1	0	391.380	0.757	20	5		GCBDRM
CN(C)C(=O)C1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001598120424	990543254	/nfs/dbraw/zinc/54/32/54/990543254.db2.gz	YFTNCXDZKAUCNN-UHFFFAOYSA-N	-1	0	378.385	0.714	20	5		GCBDRM
CN(CC(=O)N1CC(O)(C(=O)[O-])C1)c1cc(Br)ccc1[N+](=O)[O-]	ZINC001598378752	991569852	/nfs/dbraw/zinc/56/98/52/991569852.db2.gz	AYUCRRPQVAMGQD-UHFFFAOYSA-N	-1	0	388.174	0.451	20	5		GCBDRM
CN(CC(=O)N[C@H]1CC=C(C(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598386724	991610175	/nfs/dbraw/zinc/61/01/75/991610175.db2.gz	JWMCNTTUZFRCER-NSHDSACASA-N	-1	0	383.382	0.505	20	5		GCBDRM
CN(CC(=O)N[C@](C)(CC(=O)[O-])C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598387824	991625278	/nfs/dbraw/zinc/62/52/78/991625278.db2.gz	WMEIJDGONDWTOA-MRXNPFEDSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CC(C)C[C@@H](NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001591167822	991940415	/nfs/dbraw/zinc/94/04/15/991940415.db2.gz	NWDLNCLMZWOIMV-CYBMUJFWSA-N	-1	0	379.417	0.727	20	5		GCBDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC001599762593	992142755	/nfs/dbraw/zinc/14/27/55/992142755.db2.gz	HBVIHJYPCMQIHH-SMDDNHRTSA-N	-1	0	390.801	0.795	20	5		GCBDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001599763440	992153289	/nfs/dbraw/zinc/15/32/89/992153289.db2.gz	WPWBGUBJEGFVTM-SMDDNHRTSA-N	-1	0	390.801	0.795	20	5		GCBDRM
CC(C)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1=O	ZINC001591366208	992376184	/nfs/dbraw/zinc/37/61/84/992376184.db2.gz	OCNXXSLEHYGIPQ-UHFFFAOYSA-N	-1	0	385.398	0.782	20	5		GCBDRM
CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@@H]1CO	ZINC001598609785	993745470	/nfs/dbraw/zinc/74/54/70/993745470.db2.gz	HAJONZGQPHHFEK-GFCCVEGCSA-N	-1	0	383.426	0.910	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593170315	994025564	/nfs/dbraw/zinc/02/55/64/994025564.db2.gz	LDQJDULFVSRNDA-CMPLNLGQSA-N	-1	0	378.385	0.712	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCN(CCCO)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593170297	994025831	/nfs/dbraw/zinc/02/58/31/994025831.db2.gz	KKBFKNHJJGDYPN-LBPRGKRZSA-N	-1	0	380.401	0.302	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593170317	994026084	/nfs/dbraw/zinc/02/60/84/994026084.db2.gz	LDQJDULFVSRNDA-PWSUYJOCSA-N	-1	0	378.385	0.712	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593171364	994030802	/nfs/dbraw/zinc/03/08/02/994030802.db2.gz	UBUMTPFQUFFURY-GXTWGEPZSA-N	-1	0	392.412	0.709	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN3C(=O)CC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593171423	994030912	/nfs/dbraw/zinc/03/09/12/994030912.db2.gz	VMAXRHPKNAZHDW-PWSUYJOCSA-N	-1	0	376.369	0.609	20	5		GCBDRM
C[C@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@H](C)C1	ZINC001593464238	995396150	/nfs/dbraw/zinc/39/61/50/995396150.db2.gz	ZLBWTSJLBFTNQY-MNOVXSKESA-N	-1	0	387.414	0.369	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC001598748889	995625564	/nfs/dbraw/zinc/62/55/64/995625564.db2.gz	CXMPDQWPFSURLM-LNSITVRQSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC001598752029	995666676	/nfs/dbraw/zinc/66/66/76/995666676.db2.gz	BKACINUEWKBRHN-GXFFZTMASA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC001598753759	995688240	/nfs/dbraw/zinc/68/82/40/995688240.db2.gz	VPRGPRWLDYVQNU-ZWNOBZJWSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC001598757068	995732737	/nfs/dbraw/zinc/73/27/37/995732737.db2.gz	QCVGHLOSOAHKNU-SCZZXKLOSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC001598777304	995943363	/nfs/dbraw/zinc/94/33/63/995943363.db2.gz	LWRILDVLLFIJIR-JQWIXIFHSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC001598777305	995943698	/nfs/dbraw/zinc/94/36/98/995943698.db2.gz	LWRILDVLLFIJIR-PWSUYJOCSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC001598781283	995986920	/nfs/dbraw/zinc/98/69/20/995986920.db2.gz	LKPLWDLUANRAJV-ZYHUDNBSSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC001598783410	996007942	/nfs/dbraw/zinc/00/79/42/996007942.db2.gz	CSIIETIFMSYSBP-LDYMZIIASA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1	ZINC001598785818	996028404	/nfs/dbraw/zinc/02/84/04/996028404.db2.gz	UMWUVHHMONROHX-CMPLNLGQSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1	ZINC001598785821	996028627	/nfs/dbraw/zinc/02/86/27/996028627.db2.gz	UMWUVHHMONROHX-ZYHUDNBSSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(=O)[O-]	ZINC001598806585	996192709	/nfs/dbraw/zinc/19/27/09/996192709.db2.gz	GZJOHZHKSXGURC-QWHCGFSZSA-N	-1	0	375.337	0.882	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C(=O)[O-]	ZINC001598824912	996371999	/nfs/dbraw/zinc/37/19/99/996371999.db2.gz	ITPHKVYODNUCAE-GHMZBOCLSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598825743	996380387	/nfs/dbraw/zinc/38/03/87/996380387.db2.gz	LHTRFKULEVWUCN-QWRGUYRKSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)[O-]	ZINC001598870972	996737780	/nfs/dbraw/zinc/73/77/80/996737780.db2.gz	JQKUUVOAIKWXDB-CYBMUJFWSA-N	-1	0	382.325	0.605	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC001599482622	996794284	/nfs/dbraw/zinc/79/42/84/996794284.db2.gz	GBIDWGDVSKYDPY-MRVPVSSYSA-N	-1	0	393.274	0.855	20	5		GCBDRM
CC1(C)C[S@](=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001593960974	997085138	/nfs/dbraw/zinc/08/51/38/997085138.db2.gz	SRFFCWRHTBHCPC-HSZRJFAPSA-N	-1	0	376.412	0.825	20	5		GCBDRM
COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001599233343	997901638	/nfs/dbraw/zinc/90/16/38/997901638.db2.gz	KNUQLGNUJVOIHQ-UHFFFAOYSA-N	-1	0	389.386	0.018	20	5		GCBDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001599345707	998001543	/nfs/dbraw/zinc/00/15/43/998001543.db2.gz	NOVOVHLJQFJWLY-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001599462172	998291843	/nfs/dbraw/zinc/29/18/43/998291843.db2.gz	RHANWEZRQYAMFR-LBPRGKRZSA-N	-1	0	380.357	0.159	20	5		GCBDRM
COc1ccc(CSCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC001599574971	998427374	/nfs/dbraw/zinc/42/73/74/998427374.db2.gz	COJWMIGSWGIMAL-GFCCVEGCSA-N	-1	0	397.409	0.638	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC001599065428	999295624	/nfs/dbraw/zinc/29/56/24/999295624.db2.gz	DXUPCNGWBDSPPU-QLJPJBMISA-N	-1	0	397.409	0.963	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC001599065423	999295634	/nfs/dbraw/zinc/29/56/34/999295634.db2.gz	DXUPCNGWBDSPPU-HWPZZCPQSA-N	-1	0	397.409	0.963	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC001599066862	999304543	/nfs/dbraw/zinc/30/45/43/999304543.db2.gz	ZOTFSMODOWVGFO-MGPLVRAMSA-N	-1	0	381.341	0.495	20	5		GCBDRM
CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000577606631	530116688	/nfs/dbraw/zinc/11/66/88/530116688.db2.gz	DFVQOBFCMIXDJH-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000577606632	530117083	/nfs/dbraw/zinc/11/70/83/530117083.db2.gz	DFVQOBFCMIXDJH-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(SCC(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC000578250917	530134049	/nfs/dbraw/zinc/13/40/49/530134049.db2.gz	CJLOCNNJEDEQOX-UHFFFAOYSA-N	-1	0	375.428	0.708	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000598584053	530138194	/nfs/dbraw/zinc/13/81/94/530138194.db2.gz	IFDOHOUCRMFLDC-SNVBAGLBSA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CS(C)(=O)=O)c2ccccc2)n1	ZINC000599262342	530162648	/nfs/dbraw/zinc/16/26/48/530162648.db2.gz	DQXYTFTZXWGWOD-NSHDSACASA-N	-1	0	388.427	0.393	20	5		GCBDRM
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000578897564	530170885	/nfs/dbraw/zinc/17/08/85/530170885.db2.gz	BIYCJUQMTMQRRJ-MRVPVSSYSA-N	-1	0	380.400	0.347	20	5		GCBDRM
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000579126757	530176654	/nfs/dbraw/zinc/17/66/54/530176654.db2.gz	SFUSHQLYVRTXNT-SECBINFHSA-N	-1	0	378.384	0.101	20	5		GCBDRM
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000579126758	530176867	/nfs/dbraw/zinc/17/68/67/530176867.db2.gz	SFUSHQLYVRTXNT-VIFPVBQESA-N	-1	0	378.384	0.101	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1	ZINC000550938417	530250812	/nfs/dbraw/zinc/25/08/12/530250812.db2.gz	VHENJOVYSZZQFR-JTQLQIEISA-N	-1	0	395.187	0.831	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000477141518	530216882	/nfs/dbraw/zinc/21/68/82/530216882.db2.gz	GGIHNZHOYMNOCG-MNOVXSKESA-N	-1	0	395.434	0.873	20	5		GCBDRM
CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000285206570	530220529	/nfs/dbraw/zinc/22/05/29/530220529.db2.gz	SYSNYCLETAFJHX-UHFFFAOYSA-N	-1	0	375.787	0.215	20	5		GCBDRM
O=C(NCc1n[nH]c(=O)[n-]1)c1ccc([N+](=O)[O-])cc1I	ZINC000478545178	530258354	/nfs/dbraw/zinc/25/83/54/530258354.db2.gz	ZDWINGJMVUZZBC-UHFFFAOYSA-N	-1	0	389.109	0.953	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])n1	ZINC000435725603	530258632	/nfs/dbraw/zinc/25/86/32/530258632.db2.gz	HNWPVOYVKLQULS-UHFFFAOYSA-N	-1	0	375.388	0.259	20	5		GCBDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NCCO	ZINC000288455809	530260294	/nfs/dbraw/zinc/26/02/94/530260294.db2.gz	PNVQQIDJNZCBJC-UHFFFAOYSA-N	-1	0	375.403	0.940	20	5		GCBDRM
CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000562310982	530267421	/nfs/dbraw/zinc/26/74/21/530267421.db2.gz	NYXNJNZDUYJQCK-WDEREUQCSA-N	-1	0	380.350	0.635	20	5		GCBDRM
O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275015475	530304284	/nfs/dbraw/zinc/30/42/84/530304284.db2.gz	QPAPCERCMAJLCQ-SNVBAGLBSA-N	-1	0	393.805	0.312	20	5		GCBDRM
CS(=O)(=O)CCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000516575183	530312639	/nfs/dbraw/zinc/31/26/39/530312639.db2.gz	YJQXHTDESNSNEU-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC2CS(=O)(=O)C2)c1	ZINC000615782283	530314813	/nfs/dbraw/zinc/31/48/13/530314813.db2.gz	SVWKORBFKZEKHU-UHFFFAOYSA-N	-1	0	378.384	0.006	20	5		GCBDRM
CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000570088975	530315217	/nfs/dbraw/zinc/31/52/17/530315217.db2.gz	SVOLOSOMHAZNSM-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
CS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000572607053	530317457	/nfs/dbraw/zinc/31/74/57/530317457.db2.gz	KUBRUEUXONIZJM-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000580649997	530324565	/nfs/dbraw/zinc/32/45/65/530324565.db2.gz	FOFQKSPYYBRWGY-QMMMGPOBSA-N	-1	0	380.400	0.347	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000563718648	530349808	/nfs/dbraw/zinc/34/98/08/530349808.db2.gz	WVNXIDPQLCUWTC-LVPZIMMTSA-N	-1	0	376.412	0.823	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000564458137	530350806	/nfs/dbraw/zinc/35/08/06/530350806.db2.gz	OUDPZFCWWMEGMH-GFCCVEGCSA-N	-1	0	392.411	0.030	20	5		GCBDRM
O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000264343728	530352138	/nfs/dbraw/zinc/35/21/38/530352138.db2.gz	AOXRPENWGDWLBI-UHFFFAOYSA-N	-1	0	375.428	0.409	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000566317554	530374446	/nfs/dbraw/zinc/37/44/46/530374446.db2.gz	SWXJZYISXKQBSF-SECBINFHSA-N	-1	0	378.384	0.067	20	5		GCBDRM
C[S@@](=O)C1(C(=O)[O-])CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1	ZINC000567113690	530438429	/nfs/dbraw/zinc/43/84/29/530438429.db2.gz	LCKOMRSZFJCEME-XMMPIXPASA-N	-1	0	390.439	0.800	20	5		GCBDRM
CCOC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000291039136	530484209	/nfs/dbraw/zinc/48/42/09/530484209.db2.gz	YCNFZPXDSCNZGY-SNVBAGLBSA-N	-1	0	376.343	0.149	20	5		GCBDRM
O=C([O-])c1c(NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-]	ZINC000568003008	530477125	/nfs/dbraw/zinc/47/71/25/530477125.db2.gz	UDBLKLLNDSYEQY-VIFPVBQESA-N	-1	0	392.411	0.860	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)c([N+](=O)[O-])n1	ZINC000568702154	530491685	/nfs/dbraw/zinc/49/16/85/530491685.db2.gz	ZANDWEPDOGFYTQ-UHFFFAOYSA-N	-1	0	376.391	0.313	20	5		GCBDRM
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000327293633	530506448	/nfs/dbraw/zinc/50/64/48/530506448.db2.gz	NSVMNLKZWQIPCF-UHFFFAOYSA-N	-1	0	387.395	0.426	20	5		GCBDRM
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000571527122	530507177	/nfs/dbraw/zinc/50/71/77/530507177.db2.gz	GNISMBNJEIXGCD-QMMMGPOBSA-N	-1	0	380.400	0.347	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1	ZINC000571639399	530507825	/nfs/dbraw/zinc/50/78/25/530507825.db2.gz	ROXPNDVCHLBXOO-NSHDSACASA-N	-1	0	392.411	0.084	20	5		GCBDRM
CNS(=O)(=O)NC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000572167415	530510271	/nfs/dbraw/zinc/51/02/71/530510271.db2.gz	FBEAXVORBXVBLT-UHFFFAOYSA-N	-1	0	392.821	0.612	20	5		GCBDRM
CCOC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000563521784	530526632	/nfs/dbraw/zinc/52/66/32/530526632.db2.gz	GRYQNCYEKOEYEY-SNVBAGLBSA-N	-1	0	376.343	0.149	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000563520882	530526800	/nfs/dbraw/zinc/52/68/00/530526800.db2.gz	CBCCZFXZBZFEQA-QMMMGPOBSA-N	-1	0	382.297	0.768	20	5		GCBDRM
O=c1nc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[n-]o1	ZINC000574763389	530562387	/nfs/dbraw/zinc/56/23/87/530562387.db2.gz	FJGVMIVFZRATSJ-UHFFFAOYSA-N	-1	0	393.175	0.555	20	5		GCBDRM
CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000438899072	530572856	/nfs/dbraw/zinc/57/28/56/530572856.db2.gz	BKFVLFOCTZOBAZ-UHFFFAOYSA-N	-1	0	381.407	0.294	20	5		GCBDRM
CCN(CCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000299452794	530579285	/nfs/dbraw/zinc/57/92/85/530579285.db2.gz	ZWFQORXWPNIKDO-UHFFFAOYSA-N	-1	0	383.423	0.684	20	5		GCBDRM
NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000548250661	530697452	/nfs/dbraw/zinc/69/74/52/530697452.db2.gz	SCYHVDLTQSJSMJ-XVKPBYJWSA-N	-1	0	391.789	0.587	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000592130341	530756787	/nfs/dbraw/zinc/75/67/87/530756787.db2.gz	CUWGZSXRULKMGB-SECBINFHSA-N	-1	0	392.411	0.409	20	5		GCBDRM
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000592130766	530756851	/nfs/dbraw/zinc/75/68/51/530756851.db2.gz	NFDQTWHEQWRCCV-SECBINFHSA-N	-1	0	378.384	0.101	20	5		GCBDRM
C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000592140589	530757259	/nfs/dbraw/zinc/75/72/59/530757259.db2.gz	GDTUKQBFGXNPCI-DTWKUNHWSA-N	-1	0	394.427	0.735	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000592136517	530757456	/nfs/dbraw/zinc/75/74/56/530757456.db2.gz	GUOGHPIRYNAHHH-UHFFFAOYSA-N	-1	0	394.427	0.703	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593307220	530800211	/nfs/dbraw/zinc/80/02/11/530800211.db2.gz	MHUJFDKQFARVSN-QMMMGPOBSA-N	-1	0	378.384	0.149	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000593312850	530800282	/nfs/dbraw/zinc/80/02/82/530800282.db2.gz	LJTPYCYKIKFLGO-UHFFFAOYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CS(=O)(=O)CC1(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000593317279	530800454	/nfs/dbraw/zinc/80/04/54/530800454.db2.gz	QXTNERTUSIGYPH-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462142334	530804039	/nfs/dbraw/zinc/80/40/39/530804039.db2.gz	UQNUFMIBGPETJO-UHFFFAOYSA-N	-1	0	397.196	0.732	20	5		GCBDRM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC(C)C)ccc1[N+](=O)[O-]	ZINC000349605937	530823989	/nfs/dbraw/zinc/82/39/89/530823989.db2.gz	RQZIGIBCDMDJDV-UHFFFAOYSA-N	-1	0	380.448	0.758	20	5		GCBDRM
COCCCN(CCOC)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000521254907	530847962	/nfs/dbraw/zinc/84/79/62/530847962.db2.gz	RDTPVKJMSVNHOK-UHFFFAOYSA-N	-1	0	376.387	0.967	20	5		GCBDRM
NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000275095535	530848350	/nfs/dbraw/zinc/84/83/50/530848350.db2.gz	KUTQCFSKEWCPJB-XCBNKYQSSA-N	-1	0	375.334	0.073	20	5		GCBDRM
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274916745	530905322	/nfs/dbraw/zinc/90/53/22/530905322.db2.gz	LVQHSFORQIZPCE-CDUCUWFYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000274908221	530905588	/nfs/dbraw/zinc/90/55/88/530905588.db2.gz	JSPIHJMUJMQBQH-JTQLQIEISA-N	-1	0	397.203	0.780	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1C	ZINC000274995247	530905979	/nfs/dbraw/zinc/90/59/79/530905979.db2.gz	FQDCNRQWZJGFMX-LLVKDONJSA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1[N+](=O)[O-]	ZINC000274928113	530906602	/nfs/dbraw/zinc/90/66/02/530906602.db2.gz	OHJGMCQIQDTCBC-WKEGUHRASA-N	-1	0	397.203	0.778	20	5		GCBDRM
O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000275268906	530907787	/nfs/dbraw/zinc/90/77/87/530907787.db2.gz	MZCRLMPEOVNVCJ-LURJTMIESA-N	-1	0	382.297	0.753	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-]	ZINC000275375458	530908745	/nfs/dbraw/zinc/90/87/45/530908745.db2.gz	ZCSXAWYDBJSQBJ-VIFPVBQESA-N	-1	0	376.343	0.288	20	5		GCBDRM
C[C@@](CCF)(NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000594719512	530877960	/nfs/dbraw/zinc/87/79/60/530877960.db2.gz	KKSGCEDXBYPUHT-ZDUSSCGKSA-N	-1	0	378.334	0.847	20	5		GCBDRM
CNS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1	ZINC000525699291	530880449	/nfs/dbraw/zinc/88/04/49/530880449.db2.gz	MVUZZBVAXFTLRD-UHFFFAOYSA-N	-1	0	386.411	0.376	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594778646	530881982	/nfs/dbraw/zinc/88/19/82/530881982.db2.gz	REFZPFPTZRERRW-QWRGUYRKSA-N	-1	0	392.459	0.376	20	5		GCBDRM
O=C([O-])[C@@]1(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCOC1	ZINC000370313009	530886865	/nfs/dbraw/zinc/88/68/65/530886865.db2.gz	FWCLKCIDOWDAFQ-LLVKDONJSA-N	-1	0	395.187	0.879	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000370429059	530887900	/nfs/dbraw/zinc/88/79/00/530887900.db2.gz	WGBRFSWWLKBKNT-LDWIPMOCSA-N	-1	0	395.187	0.566	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000424374578	530889204	/nfs/dbraw/zinc/88/92/04/530889204.db2.gz	ZLAXTMAZXIKSBX-GFCCVEGCSA-N	-1	0	392.411	0.084	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424365009	530889261	/nfs/dbraw/zinc/88/92/61/530889261.db2.gz	FTLIGBYRFHWPTA-JTQLQIEISA-N	-1	0	398.802	0.121	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1	ZINC000424369624	530889474	/nfs/dbraw/zinc/88/94/74/530889474.db2.gz	RLQWAZGXFDITGA-LBPRGKRZSA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCCCCS(C)(=O)=O	ZINC000424607293	530889703	/nfs/dbraw/zinc/88/97/03/530889703.db2.gz	ZXQDYOJECVHLDF-UHFFFAOYSA-N	-1	0	394.427	0.705	20	5		GCBDRM
O=C([O-])[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCOC1	ZINC000374444974	530895600	/nfs/dbraw/zinc/89/56/00/530895600.db2.gz	WVIYIYGNIAPZRX-LLVKDONJSA-N	-1	0	395.187	0.879	20	5		GCBDRM
O=C([O-])[C@@]1(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1	ZINC000374444801	530895615	/nfs/dbraw/zinc/89/56/15/530895615.db2.gz	WEFVOJKBTLVRJQ-LLVKDONJSA-N	-1	0	395.187	0.879	20	5		GCBDRM
COC(=O)CCCc1nnc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1	ZINC000600667702	530931250	/nfs/dbraw/zinc/93/12/50/530931250.db2.gz	GXNGSHOZKHFDKH-UHFFFAOYSA-N	-1	0	390.403	0.476	20	5		GCBDRM
CCOC(=O)Cc1cnc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1	ZINC000600667951	530931291	/nfs/dbraw/zinc/93/12/91/530931291.db2.gz	GSCFUDCZJOECPQ-UHFFFAOYSA-N	-1	0	375.388	0.691	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000600664926	530931667	/nfs/dbraw/zinc/93/16/67/530931667.db2.gz	CCRXDMWNCQOUOR-UWVGGRQHSA-N	-1	0	376.391	0.359	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276912149	530912020	/nfs/dbraw/zinc/91/20/20/530912020.db2.gz	NOXSNBDQZSAUFG-NSHDSACASA-N	-1	0	392.411	0.084	20	5		GCBDRM
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC	ZINC000277126363	530912831	/nfs/dbraw/zinc/91/28/31/530912831.db2.gz	WEUDBGGYZYOBCO-SECBINFHSA-N	-1	0	378.334	0.507	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1	ZINC000277268602	530913081	/nfs/dbraw/zinc/91/30/81/530913081.db2.gz	JECZLXOWNJKREF-UHFFFAOYSA-N	-1	0	389.777	0.825	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000277504223	530913699	/nfs/dbraw/zinc/91/36/99/530913699.db2.gz	VTRUVJIUSFOGSZ-UHFFFAOYSA-N	-1	0	389.777	0.825	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000282021224	530922684	/nfs/dbraw/zinc/92/26/84/530922684.db2.gz	JLPZTINQAFIQKJ-UHFFFAOYSA-N	-1	0	383.304	0.809	20	5		GCBDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000274946730	530985651	/nfs/dbraw/zinc/98/56/51/530985651.db2.gz	RVDWOMKULVGKIQ-SSDLBLMSSA-N	-1	0	383.176	0.470	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000576343530	531022537	/nfs/dbraw/zinc/02/25/37/531022537.db2.gz	ASLMJGQUFYRCHV-MRVPVSSYSA-N	-1	0	394.427	0.655	20	5		GCBDRM
CCN(CC)S(=O)(=O)c1ccc(NC[C@](C)(O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000416432202	531024446	/nfs/dbraw/zinc/02/44/46/531024446.db2.gz	DNMLEYITLORXLZ-AWEZNQCLSA-N	-1	0	375.403	0.873	20	5		GCBDRM
C[C@](O)(CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263515682	531002951	/nfs/dbraw/zinc/00/29/51/531002951.db2.gz	ZRINOWSSFFFCHT-JTQLQIEISA-N	-1	0	383.176	0.471	20	5		GCBDRM
CCOC(=O)CSc1nnc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])s1	ZINC000427123712	531079048	/nfs/dbraw/zinc/07/90/48/531079048.db2.gz	YVLJSECOPOSPKT-UHFFFAOYSA-N	-1	0	386.415	1.570	20	5		GCBDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000297259165	531099220	/nfs/dbraw/zinc/09/92/20/531099220.db2.gz	RLQHREHDHSGRST-SSDLBLMSSA-N	-1	0	383.176	0.470	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)nc2)ccc1[N+](=O)[O-]	ZINC000737282431	599157102	/nfs/dbraw/zinc/15/71/02/599157102.db2.gz	DVVMRIRVUBJCHI-UHFFFAOYSA-N	-1	0	389.353	0.597	20	5		GCBDRM
CN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262470895	596899262	/nfs/dbraw/zinc/89/92/62/596899262.db2.gz	SFQQUMXFYYAYJZ-ZDUSSCGKSA-N	-1	0	385.398	0.681	20	5		GCBDRM
O=C([O-])[C@H]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000262117821	596901632	/nfs/dbraw/zinc/90/16/32/596901632.db2.gz	LQLUJBRYMVLPRN-NSHDSACASA-N	-1	0	385.398	0.527	20	5		GCBDRM
O=C([O-])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC000819292612	596902237	/nfs/dbraw/zinc/90/22/37/596902237.db2.gz	XYEBQIBPNCVIBE-NSHDSACASA-N	-1	0	385.398	0.527	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCC(=O)[O-])CC1	ZINC000262063372	597023005	/nfs/dbraw/zinc/02/30/05/597023005.db2.gz	JHNYGIDPXINJHS-UHFFFAOYSA-N	-1	0	385.398	0.505	20	5		GCBDRM
CSc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000738146916	597497561	/nfs/dbraw/zinc/49/75/61/597497561.db2.gz	WGHAEPIZJHOPFS-ZETCQYMHSA-N	-1	0	378.384	0.611	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](C)C(=O)[O-]	ZINC000262253171	597696837	/nfs/dbraw/zinc/69/68/37/597696837.db2.gz	DUJXCZJRWHKXBB-LLVKDONJSA-N	-1	0	389.368	0.832	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)OC[C@H]2CCCN2CC(=O)[O-])cc([N+](=O)[O-])c1	ZINC000820894205	598062237	/nfs/dbraw/zinc/06/22/37/598062237.db2.gz	FCSVITKCMIWXQF-LLVKDONJSA-N	-1	0	386.382	0.704	20	5		GCBDRM
O=C([O-])NCCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739942305	599708349	/nfs/dbraw/zinc/70/83/49/599708349.db2.gz	PAJSRNDWIIPZOC-UHFFFAOYSA-N	-1	0	386.386	0.085	20	5		GCBDRM
CN(CCCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000737426117	599741560	/nfs/dbraw/zinc/74/15/60/599741560.db2.gz	NZEXMZBBEHLSAI-UHFFFAOYSA-N	-1	0	388.402	0.379	20	5		GCBDRM
O=C([O-])c1nc2n(n1)CCCN2C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000740277513	599768036	/nfs/dbraw/zinc/76/80/36/599768036.db2.gz	KGLRVIBHBLLRSQ-UHFFFAOYSA-N	-1	0	388.296	0.229	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000594459494	599778134	/nfs/dbraw/zinc/77/81/34/599778134.db2.gz	AWPVSAYYBYRWKX-LLVKDONJSA-N	-1	0	378.385	0.714	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000610892164	599939624	/nfs/dbraw/zinc/93/96/24/599939624.db2.gz	YYXHLGYPMYLOIO-LSDHHAIUSA-N	-1	0	391.380	0.820	20	5		GCBDRM
Cc1cc(=O)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000262987912	599944916	/nfs/dbraw/zinc/94/49/16/599944916.db2.gz	NZHKJFNKTAISGF-AWEZNQCLSA-N	-1	0	388.336	0.375	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1	ZINC000610852470	599946336	/nfs/dbraw/zinc/94/63/36/599946336.db2.gz	RVKNVTCIVFUJMT-CYBMUJFWSA-N	-1	0	379.325	0.595	20	5		GCBDRM
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@H](C(=O)[O-])C2)C1=O	ZINC000736740436	599957738	/nfs/dbraw/zinc/95/77/38/599957738.db2.gz	BJIYXCOYWVUPQX-BLLLJJGKSA-N	-1	0	378.341	0.105	20	5		GCBDRM
NC(=O)CC[C@@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000739157691	600023566	/nfs/dbraw/zinc/02/35/66/600023566.db2.gz	QQOHLDZNFXUDNA-NSHDSACASA-N	-1	0	378.385	0.891	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000058828269	600026788	/nfs/dbraw/zinc/02/67/88/600026788.db2.gz	IOITYCUAEMXYAG-LLVKDONJSA-N	-1	0	385.398	0.586	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC000738665230	600032631	/nfs/dbraw/zinc/03/26/31/600032631.db2.gz	ZJKOGAFFIWJXCA-UHFFFAOYSA-N	-1	0	386.324	0.533	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC000262570274	600059319	/nfs/dbraw/zinc/05/93/19/600059319.db2.gz	CIOJQGPNXGWANV-CHWSQXEVSA-N	-1	0	397.409	0.457	20	5		GCBDRM
O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000485642059	600059458	/nfs/dbraw/zinc/05/94/58/600059458.db2.gz	IIMDKPFGCBQUEI-OLZOCXBDSA-N	-1	0	383.382	0.148	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000262633946	600059575	/nfs/dbraw/zinc/05/95/75/600059575.db2.gz	OXXFDNVHRLVBTN-WDEREUQCSA-N	-1	0	383.382	0.148	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000739791989	600146739	/nfs/dbraw/zinc/14/67/39/600146739.db2.gz	RMFYOQZABPAVPV-UHFFFAOYSA-N	-1	0	392.412	0.203	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000739791355	600162175	/nfs/dbraw/zinc/16/21/75/600162175.db2.gz	NPRNGSVYRGLMKW-UHFFFAOYSA-N	-1	0	391.377	0.141	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000738746816	600162315	/nfs/dbraw/zinc/16/23/15/600162315.db2.gz	MAJXFLUUJYVNPL-UHFFFAOYSA-N	-1	0	387.414	0.311	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739561511	600171478	/nfs/dbraw/zinc/17/14/78/600171478.db2.gz	RCQWNTKWYJZJDV-KBPBESRZSA-N	-1	0	377.353	0.507	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739561514	600171601	/nfs/dbraw/zinc/17/16/01/600171601.db2.gz	RCQWNTKWYJZJDV-ZIAGYGMSSA-N	-1	0	377.353	0.507	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000737604440	600175514	/nfs/dbraw/zinc/17/55/14/600175514.db2.gz	FEQFBSJDQJGNMG-UHFFFAOYSA-N	-1	0	387.732	0.064	20	5		GCBDRM
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2noc(CCC(=O)[O-])n2)C1=O	ZINC000736740735	600181968	/nfs/dbraw/zinc/18/19/68/600181968.db2.gz	DWRBDEOGWXUJBJ-INIZCTEOSA-N	-1	0	389.324	0.962	20	5		GCBDRM
Cc1nc(S(=O)(=O)NCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1C	ZINC000738869719	600190382	/nfs/dbraw/zinc/19/03/82/600190382.db2.gz	YTCKIDLUJGELSN-UHFFFAOYSA-N	-1	0	397.369	0.252	20	5		GCBDRM
CCOC[C@@H](O)CN1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737160952	600206187	/nfs/dbraw/zinc/20/61/87/600206187.db2.gz	BFCLQVOFYQBOFZ-LBPRGKRZSA-N	-1	0	398.372	0.721	20	5		GCBDRM
C[C@H](O)CN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736675035	600209792	/nfs/dbraw/zinc/20/97/92/600209792.db2.gz	AYHDAMLFDWJLLW-RYUDHWBXSA-N	-1	0	380.401	0.301	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN(C[C@H](C)O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736675031	600209839	/nfs/dbraw/zinc/20/98/39/600209839.db2.gz	AYHDAMLFDWJLLW-NWDGAFQWSA-N	-1	0	380.401	0.301	20	5		GCBDRM
CNC(=O)[C@H]1CCCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000737536938	600239738	/nfs/dbraw/zinc/23/97/38/600239738.db2.gz	AQJXVHNCYAFVHV-PWSUYJOCSA-N	-1	0	378.385	0.760	20	5		GCBDRM
O=C([O-])CCCNC(=S)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000739681842	600248191	/nfs/dbraw/zinc/24/81/91/600248191.db2.gz	RINYXFDACLHTTL-UHFFFAOYSA-N	-1	0	390.443	0.202	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1	ZINC000610892036	600251060	/nfs/dbraw/zinc/25/10/60/600251060.db2.gz	LOMWQVGCVOFEDC-ZJUUUORDSA-N	-1	0	383.382	0.573	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)NCCSCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000738174772	600254268	/nfs/dbraw/zinc/25/42/68/600254268.db2.gz	CXVKMURQJDKPPX-UHFFFAOYSA-N	-1	0	376.412	0.936	20	5		GCBDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000737564462	600303942	/nfs/dbraw/zinc/30/39/42/600303942.db2.gz	HELJCBQXPHEFRI-MRVPVSSYSA-N	-1	0	387.732	0.111	20	5		GCBDRM
COC(=O)C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000737597444	600304211	/nfs/dbraw/zinc/30/42/11/600304211.db2.gz	JKEKJNQIBQQZGD-MRVPVSSYSA-N	-1	0	387.732	0.111	20	5		GCBDRM
O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1	ZINC000422651846	600309416	/nfs/dbraw/zinc/30/94/16/600309416.db2.gz	FLHGAYJXTVJWRX-VIFPVBQESA-N	-1	0	379.325	0.628	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CCO1	ZINC000591564445	600319674	/nfs/dbraw/zinc/31/96/74/600319674.db2.gz	SEICJSJHBGPEJS-CYBMUJFWSA-N	-1	0	395.324	0.007	20	5		GCBDRM
CS(=O)(=O)c1cccc(OCCn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c1	ZINC000738176781	600362227	/nfs/dbraw/zinc/36/22/27/600362227.db2.gz	ZTQVEZFASYKMRG-UHFFFAOYSA-N	-1	0	382.350	0.937	20	5		GCBDRM
CC(C)N(CCC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000736461353	600379466	/nfs/dbraw/zinc/37/94/66/600379466.db2.gz	ORMQLEZQMRSUTC-UHFFFAOYSA-N	-1	0	387.414	0.927	20	5		GCBDRM
CC(=O)NC[C@@H]1CN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000736147236	600396558	/nfs/dbraw/zinc/39/65/58/600396558.db2.gz	GSGXNPACJLLYBT-GXFFZTMASA-N	-1	0	394.384	0.139	20	5		GCBDRM
CN(CC(=O)N1CCC(CC(=O)[O-])CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737384232	600398265	/nfs/dbraw/zinc/39/82/65/600398265.db2.gz	AZXOEABOCZJUQD-UHFFFAOYSA-N	-1	0	399.425	0.929	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000739791449	600415241	/nfs/dbraw/zinc/41/52/41/600415241.db2.gz	OTIFKXDFULGOQB-UHFFFAOYSA-N	-1	0	379.416	0.064	20	5		GCBDRM
CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCOCC1	ZINC000736319928	600441686	/nfs/dbraw/zinc/44/16/86/600441686.db2.gz	BRNJIDQWFBADLP-UHFFFAOYSA-N	-1	0	381.385	0.899	20	5		GCBDRM
O=C([O-])CCCS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000738584743	600493697	/nfs/dbraw/zinc/49/36/97/600493697.db2.gz	ITZWKNAUGPNVRO-UHFFFAOYSA-N	-1	0	391.427	0.609	20	5		GCBDRM
C[C@@H](CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263079640	600544087	/nfs/dbraw/zinc/54/40/87/600544087.db2.gz	BDFCFFUWVMRPDO-SMDDNHRTSA-N	-1	0	399.425	0.927	20	5		GCBDRM
C[C@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000736212504	600617385	/nfs/dbraw/zinc/61/73/85/600617385.db2.gz	SYHRJONFSZZDCW-RBHXEPJQSA-N	-1	0	375.337	0.949	20	5		GCBDRM
CC(C)(C)[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000610845419	600644717	/nfs/dbraw/zinc/64/47/17/600644717.db2.gz	GQOAAPKDQJZYHR-ZDUSSCGKSA-N	-1	0	387.414	0.879	20	5		GCBDRM
O=C([O-])[C@H]1CCC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000272340119	600661806	/nfs/dbraw/zinc/66/18/06/600661806.db2.gz	BRFZCPUMZIBOFH-RYUDHWBXSA-N	-1	0	399.425	0.880	20	5		GCBDRM
COC(=O)Cn1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000831192147	600746832	/nfs/dbraw/zinc/74/68/32/600746832.db2.gz	CHGSQILPZGLDBE-UHFFFAOYSA-N	-1	0	385.310	0.430	20	5		GCBDRM
O=C([O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC000739588424	600823688	/nfs/dbraw/zinc/82/36/88/600823688.db2.gz	PYMHVVNCBJQMBI-LBPRGKRZSA-N	-1	0	399.425	0.917	20	5		GCBDRM
O=C([O-])/C=C\c1ccc(Nc2cnn(CC(=O)NCCO)c2)c([N+](=O)[O-])c1	ZINC000833197081	600824740	/nfs/dbraw/zinc/82/47/40/600824740.db2.gz	IZOZRCHFWAQLCC-RQOWECAXSA-N	-1	0	375.341	0.741	20	5		GCBDRM
Cc1c(C(=O)NC2CCC(C(=O)[O-])CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000271304858	600937086	/nfs/dbraw/zinc/93/70/86/600937086.db2.gz	VFUWWVMTJQIKMK-UHFFFAOYSA-N	-1	0	385.398	0.924	20	5		GCBDRM
Cc1c(C(=O)NCCSCCC(=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832850569	600952278	/nfs/dbraw/zinc/95/22/78/600952278.db2.gz	NKPWIPJHJPUWQF-UHFFFAOYSA-N	-1	0	391.427	0.488	20	5		GCBDRM
CCNc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000737129364	601017938	/nfs/dbraw/zinc/01/79/38/601017938.db2.gz	KYJXQNYESGZVJD-UHFFFAOYSA-N	-1	0	380.401	0.886	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1=O	ZINC000833103812	601069285	/nfs/dbraw/zinc/06/92/85/601069285.db2.gz	HPFAMBKDZRLSHO-NSHDSACASA-N	-1	0	393.381	0.863	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc([N+](=O)[O-])c1	ZINC000833360375	601095566	/nfs/dbraw/zinc/09/55/66/601095566.db2.gz	GZOXEIAAULKREY-MGPLVRAMSA-N	-1	0	376.325	0.401	20	5		GCBDRM
C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000827385071	601259720	/nfs/dbraw/zinc/25/97/20/601259720.db2.gz	FMSPIOSUVXQZQF-JTQLQIEISA-N	-1	0	375.378	0.903	20	5		GCBDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000581069310	601266265	/nfs/dbraw/zinc/26/62/65/601266265.db2.gz	HLQPZUFUUQQKHE-CQSZACIVSA-N	-1	0	390.370	0.524	20	5		GCBDRM
C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000828485189	601289449	/nfs/dbraw/zinc/28/94/49/601289449.db2.gz	DXDOHDVGZKPFGM-ZANVPECISA-N	-1	0	385.398	0.693	20	5		GCBDRM
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@@](F)(C(=O)[O-])C2)C1=O	ZINC000828122314	601370868	/nfs/dbraw/zinc/37/08/68/601370868.db2.gz	OMSPSGYYAXXSBS-CVEARBPZSA-N	-1	0	380.332	0.818	20	5		GCBDRM
O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000833232686	601384235	/nfs/dbraw/zinc/38/42/35/601384235.db2.gz	GYCUUDMGFQZCFZ-CQSZACIVSA-N	-1	0	379.369	0.807	20	5		GCBDRM
O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000833232685	601384510	/nfs/dbraw/zinc/38/45/10/601384510.db2.gz	GYCUUDMGFQZCFZ-AWEZNQCLSA-N	-1	0	379.369	0.807	20	5		GCBDRM
CNc1ccc(S(=O)(=O)NCC(=O)OC/C=C(/C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000831047343	601406032	/nfs/dbraw/zinc/40/60/32/601406032.db2.gz	WEIUZNWNDXNTBY-UITAMQMPSA-N	-1	0	387.370	0.489	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000831176232	601512407	/nfs/dbraw/zinc/51/24/07/601512407.db2.gz	XBUMBDAIHJNCJG-UHFFFAOYSA-N	-1	0	380.762	0.805	20	5		GCBDRM
Cc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832890778	601544724	/nfs/dbraw/zinc/54/47/24/601544724.db2.gz	BNXFJFIFBWRKHH-UHFFFAOYSA-N	-1	0	392.412	0.582	20	5		GCBDRM
O=C([O-])[C@@]1(F)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000833106530	601553032	/nfs/dbraw/zinc/55/30/32/601553032.db2.gz	PLYDDSSZXXIKGW-QGZVFWFLSA-N	-1	0	380.376	0.742	20	5		GCBDRM
C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000595972476	601563711	/nfs/dbraw/zinc/56/37/11/601563711.db2.gz	CQQFMJWJNLSVSV-DGCLKSJQSA-N	-1	0	399.425	0.773	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1	ZINC000833223371	601571810	/nfs/dbraw/zinc/57/18/10/601571810.db2.gz	YUDSFHWUTJNTIB-MRXNPFEDSA-N	-1	0	392.412	0.419	20	5		GCBDRM
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC1(C(=O)[O-])CCCC1	ZINC000833107033	601601797	/nfs/dbraw/zinc/60/17/97/601601797.db2.gz	PHVZXWMMMGHUDU-UHFFFAOYSA-N	-1	0	375.337	0.952	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1	ZINC000833215366	601670724	/nfs/dbraw/zinc/67/07/24/601670724.db2.gz	HIADAYXNMQZJMU-GHMZBOCLSA-N	-1	0	381.341	0.495	20	5		GCBDRM
Cc1c(C(=O)NCC2(C(=O)[O-])CCCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832850758	601706881	/nfs/dbraw/zinc/70/68/81/601706881.db2.gz	YSYCWMVVYFZPQS-UHFFFAOYSA-N	-1	0	385.398	0.925	20	5		GCBDRM
O=C([O-])[C@]1(F)CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262792399	601712158	/nfs/dbraw/zinc/71/21/58/601712158.db2.gz	OKRVAIWUKGEIHR-AWEZNQCLSA-N	-1	0	389.361	0.288	20	5		GCBDRM
O=C([O-])C[C@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1	ZINC000262404658	601739047	/nfs/dbraw/zinc/73/90/47/601739047.db2.gz	ASMNHVOOAVLPRH-VIFPVBQESA-N	-1	0	385.760	0.680	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1	ZINC000833216377	601740575	/nfs/dbraw/zinc/74/05/75/601740575.db2.gz	NCQRBNDHZSCULY-GFCCVEGCSA-N	-1	0	393.352	0.985	20	5		GCBDRM
Cc1cc(S(=O)(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)ccc1[N+](=O)[O-]	ZINC000832902766	601808556	/nfs/dbraw/zinc/80/85/56/601808556.db2.gz	MJIZGNOHRQTGLY-UHFFFAOYSA-N	-1	0	392.411	0.214	20	5		GCBDRM
COC[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)[O-]	ZINC000831596662	601818835	/nfs/dbraw/zinc/81/88/35/601818835.db2.gz	GLMYZYFDPDAXLX-XXFAHNHDSA-N	-1	0	383.332	0.693	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC000828035191	601865334	/nfs/dbraw/zinc/86/53/34/601865334.db2.gz	CPXDJIBIRCINML-INIZCTEOSA-N	-1	0	399.425	0.917	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000449143053	602031058	/nfs/dbraw/zinc/03/10/58/602031058.db2.gz	HIOVKCVMUATBED-HNNXBMFYSA-N	-1	0	385.398	0.586	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1	ZINC000826500245	607552383	/nfs/dbraw/zinc/55/23/83/607552383.db2.gz	PQWZXHUILAJYSK-MNOVXSKESA-N	-1	0	394.413	0.822	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1=O	ZINC000833307458	602300282	/nfs/dbraw/zinc/30/02/82/602300282.db2.gz	NMVRMZFOKFBPSR-LLVKDONJSA-N	-1	0	379.281	0.803	20	5		GCBDRM
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NN=c2[nH]cccc2[N+](=O)[O-])c1	ZINC000831371388	602309380	/nfs/dbraw/zinc/30/93/80/602309380.db2.gz	WSPIRNXOLDHEAD-UHFFFAOYSA-N	-1	0	396.337	0.780	20	5		GCBDRM
Cc1cc(N2CCN(C(=O)C(=O)NC(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832891401	602312880	/nfs/dbraw/zinc/31/28/80/602312880.db2.gz	SQPCOKXHRFNWBE-UHFFFAOYSA-N	-1	0	378.385	0.775	20	5		GCBDRM
CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826061015	607585209	/nfs/dbraw/zinc/58/52/09/607585209.db2.gz	YJNAIVSEZVAKCX-JTQLQIEISA-N	-1	0	395.401	0.064	20	5		GCBDRM
O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)N1CCCCC1	ZINC000826413049	607589462	/nfs/dbraw/zinc/58/94/62/607589462.db2.gz	OFOZHTVRVNDTDT-UHFFFAOYSA-N	-1	0	395.401	0.066	20	5		GCBDRM
C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824908195	607591505	/nfs/dbraw/zinc/59/15/05/607591505.db2.gz	NMJBCMXOZKUDPZ-DTWKUNHWSA-N	-1	0	395.401	0.049	20	5		GCBDRM
CCOC(=O)[C@@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825486652	607613077	/nfs/dbraw/zinc/61/30/77/607613077.db2.gz	VDWUWDCWUKGNGP-MRVPVSSYSA-N	-1	0	384.374	0.347	20	5		GCBDRM
CC(C)N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1=O	ZINC000824295925	607616014	/nfs/dbraw/zinc/61/60/14/607616014.db2.gz	BTZRITDCCPJUMF-SECBINFHSA-N	-1	0	395.401	0.063	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000737926225	603273925	/nfs/dbraw/zinc/27/39/25/603273925.db2.gz	OQYZFCAEZBZHMJ-NSHDSACASA-N	-1	0	380.357	0.592	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccco2)c1-c1nnn[n-]1	ZINC000826500332	607626104	/nfs/dbraw/zinc/62/61/04/607626104.db2.gz	UKGASPKDOGQSOH-SECBINFHSA-N	-1	0	380.342	0.380	20	5		GCBDRM
CC(C)(C)CN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824086437	607632063	/nfs/dbraw/zinc/63/20/63/607632063.db2.gz	LQJQWSYJUYVPOE-UHFFFAOYSA-N	-1	0	384.418	0.804	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c1-c1nnn[n-]1	ZINC000826499989	607643651	/nfs/dbraw/zinc/64/36/51/607643651.db2.gz	HJFSYJJIKCDFEV-MWLCHTKSSA-N	-1	0	382.402	0.604	20	5		GCBDRM
Cc1ccc([C@@H](O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)o1	ZINC000826284253	607643938	/nfs/dbraw/zinc/64/39/38/607643938.db2.gz	NYBUBQIMDPCJSB-JTQLQIEISA-N	-1	0	394.369	0.688	20	5		GCBDRM
C[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCC[C@@H]1O	ZINC000824823730	607660529	/nfs/dbraw/zinc/66/05/29/607660529.db2.gz	OENXXYDGXZNHIS-WFASDCNBSA-N	-1	0	396.429	0.994	20	5		GCBDRM
C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824442113	607666699	/nfs/dbraw/zinc/66/66/99/607666699.db2.gz	UPPHQCZJESFLIX-UWVGGRQHSA-N	-1	0	398.401	0.247	20	5		GCBDRM
C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824442109	607666786	/nfs/dbraw/zinc/66/67/86/607666786.db2.gz	UPPHQCZJESFLIX-NXEZZACHSA-N	-1	0	398.401	0.247	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCO[C@H]2CCOC2)c1-c1nnn[n-]1	ZINC000826500038	607669928	/nfs/dbraw/zinc/66/99/28/607669928.db2.gz	JCGZKQOHNXPALB-JTQLQIEISA-N	-1	0	398.401	0.249	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CCC(C(=O)NCCCO)CC2)cc([N+](=O)[O-])c1	ZINC000833296049	604347977	/nfs/dbraw/zinc/34/79/77/604347977.db2.gz	ODKFWRILSLUCKV-UHFFFAOYSA-N	-1	0	379.369	0.644	20	5		GCBDRM
COC(=O)c1sc2[nH]c(Cn3nccc3[N+](=O)[O-])nc(=O)c2c1CC(=O)[O-]	ZINC000831479560	604385983	/nfs/dbraw/zinc/38/59/83/604385983.db2.gz	QLIAMEYVQNFUEU-UHFFFAOYSA-N	-1	0	393.337	0.551	20	5		GCBDRM
COC(=O)Cc1c(C(=O)[O-])sc2[nH]c(Cn3nccc3[N+](=O)[O-])nc(=O)c12	ZINC000831189023	604386009	/nfs/dbraw/zinc/38/60/09/604386009.db2.gz	OSJBMWSVFYJPHB-UHFFFAOYSA-N	-1	0	393.337	0.551	20	5		GCBDRM
O=C([O-])N1CC(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1	ZINC000740488520	604413544	/nfs/dbraw/zinc/41/35/44/604413544.db2.gz	FNBDDZPHHWUTLL-UHFFFAOYSA-N	-1	0	380.176	0.998	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)c([N+](=O)[O-])n1	ZINC000564921890	604507024	/nfs/dbraw/zinc/50/70/24/604507024.db2.gz	XMXZPWGMURONNA-LBPRGKRZSA-N	-1	0	384.370	0.924	20	5		GCBDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000827006013	604539608	/nfs/dbraw/zinc/53/96/08/604539608.db2.gz	IRBIZEJXSJBFFY-LBPRGKRZSA-N	-1	0	381.341	0.839	20	5		GCBDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000827006012	604539881	/nfs/dbraw/zinc/53/98/81/604539881.db2.gz	IRBIZEJXSJBFFY-GFCCVEGCSA-N	-1	0	381.341	0.839	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])c2cccnc12	ZINC000831171164	604600276	/nfs/dbraw/zinc/60/02/76/604600276.db2.gz	ZJMVPOWOMCTJJW-UHFFFAOYSA-N	-1	0	377.309	0.608	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N[C@@H](C)[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703332	604637628	/nfs/dbraw/zinc/63/76/28/604637628.db2.gz	KOIUNSREMWKNQP-PGUXBMHVSA-N	-1	0	380.401	0.929	20	5		GCBDRM
C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cn(CC(=O)[O-])nn1	ZINC000827843341	604694072	/nfs/dbraw/zinc/69/40/72/604694072.db2.gz	FUECVDRSYFDYBP-QMMMGPOBSA-N	-1	0	378.297	0.960	20	5		GCBDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C	ZINC000829966545	604736154	/nfs/dbraw/zinc/73/61/54/604736154.db2.gz	IZEIISDHIYGPDY-LBPRGKRZSA-N	-1	0	389.386	0.112	20	5		GCBDRM
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCc2cn(CC(=O)[O-])nn2)C1=O	ZINC000828121197	604787379	/nfs/dbraw/zinc/78/73/79/604787379.db2.gz	GGVQXCGMRYIJJK-MRXNPFEDSA-N	-1	0	388.340	0.281	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1Cl	ZINC000833144225	604877401	/nfs/dbraw/zinc/87/74/01/604877401.db2.gz	UEOIJYMTEFTECK-UHFFFAOYSA-N	-1	0	381.732	0.898	20	5		GCBDRM
O=C([O-])COc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000833256199	604878296	/nfs/dbraw/zinc/87/82/96/604878296.db2.gz	MIJKQENCJWJITR-UHFFFAOYSA-N	-1	0	377.313	0.010	20	5		GCBDRM
CC(C)N1C(=O)N[C@@]2(CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)C1=O	ZINC000833500846	604941052	/nfs/dbraw/zinc/94/10/52/604941052.db2.gz	OCJMIESGWBTJKO-QGZVFWFLSA-N	-1	0	390.352	0.838	20	5		GCBDRM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000833627598	605160014	/nfs/dbraw/zinc/16/00/14/605160014.db2.gz	ZHKNQABTLIXGPO-LLVKDONJSA-N	-1	0	399.425	0.619	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])[C@H](C)N1CCOCC1	ZINC000833522790	605394698	/nfs/dbraw/zinc/39/46/98/605394698.db2.gz	FTKFQTLKUNNVIQ-MNOVXSKESA-N	-1	0	387.414	0.681	20	5		GCBDRM
CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833658217	605400022	/nfs/dbraw/zinc/40/00/22/605400022.db2.gz	XRWOGQFWJWFXSG-VIFPVBQESA-N	-1	0	386.386	0.375	20	5		GCBDRM
CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@H](C)C1	ZINC000833394121	605400964	/nfs/dbraw/zinc/40/09/64/605400964.db2.gz	OICUPLZUQUHAOG-NOZJJQNGSA-N	-1	0	385.398	0.828	20	5		GCBDRM
O=C([O-])c1cn(C2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)nn1	ZINC000780316858	605531570	/nfs/dbraw/zinc/53/15/70/605531570.db2.gz	LMQWEPWUMVTFNR-UHFFFAOYSA-N	-1	0	383.324	0.767	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000833708693	605651664	/nfs/dbraw/zinc/65/16/64/605651664.db2.gz	QTCNLEQHMRXEHU-GWCFXTLKSA-N	-1	0	396.352	0.847	20	5		GCBDRM
O=C([O-])N1CCC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1	ZINC000739925626	605662458	/nfs/dbraw/zinc/66/24/58/605662458.db2.gz	BZYCFUXRRSWITQ-LBPRGKRZSA-N	-1	0	378.389	0.964	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000833709705	605666636	/nfs/dbraw/zinc/66/66/36/605666636.db2.gz	UQSVRDUKLLDASO-NEPJUHHUSA-N	-1	0	382.373	0.663	20	5		GCBDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nc3cc([N+](=O)[O-])ccc3o2)c1=O	ZINC000821565229	606310538	/nfs/dbraw/zinc/31/05/38/606310538.db2.gz	JWAAEQSZYIZARR-UHFFFAOYSA-N	-1	0	384.312	0.308	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C3CC3)CC2)c1-c1nnn[n-]1	ZINC000823648001	606733340	/nfs/dbraw/zinc/73/33/40/606733340.db2.gz	RPIJINVEDDJLSC-UHFFFAOYSA-N	-1	0	379.402	0.244	20	5		GCBDRM
CN(Cc1cnccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821617051	606734726	/nfs/dbraw/zinc/73/47/26/606734726.db2.gz	UJMYBKQBMRYGSI-UHFFFAOYSA-N	-1	0	376.358	0.386	20	5		GCBDRM
CCn1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cn1	ZINC000821565188	606734810	/nfs/dbraw/zinc/73/48/10/606734810.db2.gz	HVFYBYCGGQGOBK-UHFFFAOYSA-N	-1	0	392.401	0.812	20	5		GCBDRM
CCOC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000821369190	606736198	/nfs/dbraw/zinc/73/61/98/606736198.db2.gz	XQFLQJLFLYEMOH-SNVBAGLBSA-N	-1	0	382.402	0.822	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(C2)CCOCC3)c1-c1nnn[n-]1	ZINC000823648601	606737201	/nfs/dbraw/zinc/73/72/01/606737201.db2.gz	YAAOJCINMTUDPN-UHFFFAOYSA-N	-1	0	394.413	0.966	20	5		GCBDRM
C[C@@H]1N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCOC1(C)C	ZINC000820819100	606873566	/nfs/dbraw/zinc/87/35/66/606873566.db2.gz	DYWFWNWSGDXFQN-VIFPVBQESA-N	-1	0	382.402	0.963	20	5		GCBDRM
NC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1	ZINC000822890542	607154174	/nfs/dbraw/zinc/15/41/74/607154174.db2.gz	WYKYZINKOCBYHX-UHFFFAOYSA-N	-1	0	389.353	0.675	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2O)c([N+](=O)[O-])n1	ZINC000825805143	607933381	/nfs/dbraw/zinc/93/33/81/607933381.db2.gz	UUKNJAIZAVMWEV-UHFFFAOYSA-N	-1	0	380.346	0.498	20	5		GCBDRM
Cc1cncc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000826319869	608025786	/nfs/dbraw/zinc/02/57/86/608025786.db2.gz	WTUFIVNQIGNZEC-UHFFFAOYSA-N	-1	0	375.370	0.957	20	5		GCBDRM
Cn1c(=O)c(-c2nnn[n-]2)c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C)c1=O	ZINC000826355456	608153768	/nfs/dbraw/zinc/15/37/68/608153768.db2.gz	AHFLCXRUNOLQIX-UHFFFAOYSA-N	-1	0	398.383	0.341	20	5		GCBDRM
C[C@@H]1C[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCO1	ZINC000824886284	608155139	/nfs/dbraw/zinc/15/51/39/608155139.db2.gz	WSBLKLMYGCINBB-ZJUUUORDSA-N	-1	0	382.402	0.868	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@H](C)CN1C	ZINC000824991422	608563343	/nfs/dbraw/zinc/56/33/43/608563343.db2.gz	AWVBFZFHKUENRW-NXEZZACHSA-N	-1	0	381.418	0.488	20	5		GCBDRM
CN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825901897	608568641	/nfs/dbraw/zinc/56/86/41/608568641.db2.gz	LMPSWQZTGFOGFF-QMMMGPOBSA-N	-1	0	396.307	0.319	20	5		GCBDRM
C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000824998986	608834066	/nfs/dbraw/zinc/83/40/66/608834066.db2.gz	BMWBOHVOKJGDKO-NSHDSACASA-N	-1	0	397.399	0.981	20	5		GCBDRM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1	ZINC000826267960	609313514	/nfs/dbraw/zinc/31/35/14/609313514.db2.gz	DPNZUXRFGMYZTL-UHFFFAOYSA-N	-1	0	382.337	0.757	20	5		GCBDRM
C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)[O-]	ZINC000225272436	639612314	/nfs/dbraw/zinc/61/23/14/639612314.db2.gz	LLQQLWVBYUYVIK-NSHDSACASA-N	-1	0	394.121	0.765	20	5		GCBDRM
CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1)n1cc([N+](=O)[O-])cn1	ZINC000732616121	639812532	/nfs/dbraw/zinc/81/25/32/639812532.db2.gz	ANGIDZGCAXSPDM-UHFFFAOYSA-N	-1	0	387.399	0.192	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1C	ZINC000916772716	639835085	/nfs/dbraw/zinc/83/50/85/639835085.db2.gz	GOQZGBRFGYLSBL-NSHDSACASA-N	-1	0	390.439	0.841	20	5		GCBDRM
COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000921234655	639933310	/nfs/dbraw/zinc/93/33/10/639933310.db2.gz	PRQDVEYNSWNUJX-SNVBAGLBSA-N	-1	0	394.427	0.125	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c([N+](=O)[O-])c1	ZINC000733723508	639985510	/nfs/dbraw/zinc/98/55/10/639985510.db2.gz	YGUHJSVEMMYJHM-VIFPVBQESA-N	-1	0	389.411	0.021	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000734734404	640001072	/nfs/dbraw/zinc/00/10/72/640001072.db2.gz	FNVHHLKWUAIOFF-SNVBAGLBSA-N	-1	0	376.412	0.533	20	5		GCBDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-]	ZINC000838851617	640194273	/nfs/dbraw/zinc/19/42/73/640194273.db2.gz	YHKDTQBKGDKKSI-UHFFFAOYSA-N	-1	0	392.411	0.948	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cc([N+](=O)[O-])c1	ZINC000744267941	640267268	/nfs/dbraw/zinc/26/72/68/640267268.db2.gz	LYNOGQLFBTXPST-UHFFFAOYSA-N	-1	0	390.317	0.620	20	5		GCBDRM
NS(=O)(=O)c1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000746306866	640291389	/nfs/dbraw/zinc/29/13/89/640291389.db2.gz	QXHFDHYAYCVCFU-UHFFFAOYSA-N	-1	0	385.379	0.932	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)CCCF	ZINC000747134186	640304745	/nfs/dbraw/zinc/30/47/45/640304745.db2.gz	OHOJJZSMPONPJK-UHFFFAOYSA-N	-1	0	375.334	0.126	20	5		GCBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000747751085	640315327	/nfs/dbraw/zinc/31/53/27/640315327.db2.gz	DWIHFIQSPJREDX-SNVBAGLBSA-N	-1	0	375.428	0.769	20	5		GCBDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000755902989	640477180	/nfs/dbraw/zinc/47/71/80/640477180.db2.gz	ZHYIVQCPADTNSE-UHFFFAOYSA-N	-1	0	384.395	0.595	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)C1CC1	ZINC000759271664	640545602	/nfs/dbraw/zinc/54/56/02/640545602.db2.gz	JIYFOASHTGPWBM-UHFFFAOYSA-N	-1	0	375.790	0.922	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)s1	ZINC000759517508	640552293	/nfs/dbraw/zinc/55/22/93/640552293.db2.gz	GFMQEAWZNBONLF-UHFFFAOYSA-N	-1	0	385.383	0.452	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)Cc2ccccc2[N+](=O)[O-])s1	ZINC000759521260	640552982	/nfs/dbraw/zinc/55/29/82/640552982.db2.gz	RKNFVKXBKCOCQQ-UHFFFAOYSA-N	-1	0	385.383	0.452	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)s2)ccc1[N+](=O)[O-]	ZINC000761425581	640593734	/nfs/dbraw/zinc/59/37/34/640593734.db2.gz	CFOUZDVSNPSPPD-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
CC(C)(C(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1F	ZINC000763013760	640620696	/nfs/dbraw/zinc/62/06/96/640620696.db2.gz	JUMJOVLGFBVUQU-UHFFFAOYSA-N	-1	0	375.378	0.705	20	5		GCBDRM
Cn1nc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1OC(F)F	ZINC000767991924	640741665	/nfs/dbraw/zinc/74/16/65/640741665.db2.gz	CGKKLOIVNSMWMS-UHFFFAOYSA-N	-1	0	377.285	0.443	20	5		GCBDRM
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000770749814	640814277	/nfs/dbraw/zinc/81/42/77/640814277.db2.gz	YQJVNECCPMSPAB-UHFFFAOYSA-N	-1	0	394.203	0.641	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCSC1	ZINC000774200514	640880948	/nfs/dbraw/zinc/88/09/48/640880948.db2.gz	AGNOSKHRMXNMRT-JTQLQIEISA-N	-1	0	377.419	0.976	20	5		GCBDRM
Cn1cc(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])nc1Cl	ZINC000776493014	641097243	/nfs/dbraw/zinc/09/72/43/641097243.db2.gz	DEMLETIDALIISW-JTQLQIEISA-N	-1	0	388.789	0.956	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776681058	641110919	/nfs/dbraw/zinc/11/09/19/641110919.db2.gz	AGUCOEOVXVZUHH-APPZFPTMSA-N	-1	0	395.187	0.566	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000776714106	641113822	/nfs/dbraw/zinc/11/38/22/641113822.db2.gz	GDMCQYNUEWALLP-WYVULQQZSA-N	-1	0	396.830	0.763	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-]	ZINC000776714862	641114234	/nfs/dbraw/zinc/11/42/34/641114234.db2.gz	JAUJVBYWMCEBEY-VCGICTTQSA-N	-1	0	396.830	0.763	20	5		GCBDRM
O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776716733	641114840	/nfs/dbraw/zinc/11/48/40/641114840.db2.gz	RSBMOFQMOYTVEH-GTUYJWLHSA-N	-1	0	382.803	0.454	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)cc([N+](=O)[O-])c1	ZINC000861164566	641144998	/nfs/dbraw/zinc/14/49/98/641144998.db2.gz	YNPGUKZSUMPNEX-UHFFFAOYSA-N	-1	0	398.365	0.856	20	5		GCBDRM
Nc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1[N+](=O)[O-]	ZINC000778908383	641174346	/nfs/dbraw/zinc/17/43/46/641174346.db2.gz	GFASLJRVSFOLLQ-UHFFFAOYSA-N	-1	0	375.313	0.757	20	5		GCBDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000781842678	641238142	/nfs/dbraw/zinc/23/81/42/641238142.db2.gz	QSAUCQUPUCJZRS-UHFFFAOYSA-N	-1	0	380.375	0.835	20	5		GCBDRM
CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)C1	ZINC000788363553	641365745	/nfs/dbraw/zinc/36/57/45/641365745.db2.gz	DOUKCBWGTXMUKS-UHFFFAOYSA-N	-1	0	376.778	0.114	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000790075264	641407470	/nfs/dbraw/zinc/40/74/70/641407470.db2.gz	JXQZKISMWDJFOA-RNCFNFMXSA-N	-1	0	376.362	0.889	20	5		GCBDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1	ZINC000793179118	641465848	/nfs/dbraw/zinc/46/58/48/641465848.db2.gz	SMWQECDSQGYOGS-UHFFFAOYSA-N	-1	0	390.175	0.605	20	5		GCBDRM
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@H]2CN3CCN2CC3)c1	ZINC000795893738	641528959	/nfs/dbraw/zinc/52/89/59/641528959.db2.gz	YCBFESKJSCIIEP-JTQLQIEISA-N	-1	0	378.813	0.665	20	5		GCBDRM
Cn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000798841505	641595786	/nfs/dbraw/zinc/59/57/86/641595786.db2.gz	LFRXUKNHAHXLQS-UHFFFAOYSA-N	-1	0	390.175	0.605	20	5		GCBDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N=c1nc(C(F)(F)F)[n-]n1C	ZINC000808553503	641691777	/nfs/dbraw/zinc/69/17/77/641691777.db2.gz	BSPFQGOMBVEAEO-UHFFFAOYSA-N	-1	0	381.292	0.973	20	5		GCBDRM
O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	ZINC000810379633	641727474	/nfs/dbraw/zinc/72/74/74/641727474.db2.gz	HBZPTLUDHRAKCT-UHFFFAOYSA-N	-1	0	385.134	0.436	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1	ZINC000813945390	641796692	/nfs/dbraw/zinc/79/66/92/641796692.db2.gz	IKCLHEHVNYHTCO-UHFFFAOYSA-N	-1	0	390.805	0.387	20	5		GCBDRM
O=C(C[C@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000815915870	641836120	/nfs/dbraw/zinc/83/61/20/641836120.db2.gz	CMNTZBDWTUZEBX-SECBINFHSA-N	-1	0	394.402	0.754	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)CC2)cc1[N+](=O)[O-]	ZINC000815961121	641837996	/nfs/dbraw/zinc/83/79/96/641837996.db2.gz	DWVANYXTDQHAFO-ZETCQYMHSA-N	-1	0	390.805	0.552	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)Cn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)n1	ZINC000816290796	641848577	/nfs/dbraw/zinc/84/85/77/641848577.db2.gz	PYCWAPTXFJGCAW-UHFFFAOYSA-N	-1	0	382.280	0.049	20	5		GCBDRM
CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000816715372	641862605	/nfs/dbraw/zinc/86/26/05/641862605.db2.gz	STZZVONMSYMOLN-UHFFFAOYSA-N	-1	0	377.400	0.184	20	5		GCBDRM
CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1=O	ZINC000819910790	641944942	/nfs/dbraw/zinc/94/49/42/641944942.db2.gz	AFFKPFMSAVFSHG-QMMMGPOBSA-N	-1	0	379.753	0.813	20	5		GCBDRM
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800550868	642085003	/nfs/dbraw/zinc/08/50/03/642085003.db2.gz	ZEAUKOZUAOYFLK-MRVPVSSYSA-N	-1	0	393.805	0.598	20	5		GCBDRM
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800550869	642085134	/nfs/dbraw/zinc/08/51/34/642085134.db2.gz	ZEAUKOZUAOYFLK-QMMMGPOBSA-N	-1	0	393.805	0.598	20	5		GCBDRM
COCCCCS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000802149950	642144402	/nfs/dbraw/zinc/14/44/02/642144402.db2.gz	JCRGDXOBZLVJGT-UHFFFAOYSA-N	-1	0	394.427	0.485	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CS(=O)(=O)C2CC2)cc1[N+](=O)[O-]	ZINC000835037845	642220858	/nfs/dbraw/zinc/22/08/58/642220858.db2.gz	YGPMPMXBDVZVKZ-UHFFFAOYSA-N	-1	0	396.830	0.939	20	5		GCBDRM
CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])CC1	ZINC000835415311	642228499	/nfs/dbraw/zinc/22/84/99/642228499.db2.gz	GTBFRTNXVUIWBD-UHFFFAOYSA-N	-1	0	379.435	0.889	20	5		GCBDRM
CC(C)[C@H](CO)O[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000836896693	642257262	/nfs/dbraw/zinc/25/72/62/642257262.db2.gz	SVEQXBPNRVGZAC-ZDUSSCGKSA-N	-1	0	375.403	0.280	20	5		GCBDRM
COC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837288971	642269305	/nfs/dbraw/zinc/26/93/05/642269305.db2.gz	SBLCDVUFAIJDGU-ZETCQYMHSA-N	-1	0	384.725	0.682	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000842312319	642330347	/nfs/dbraw/zinc/33/03/47/642330347.db2.gz	HDYKUQSCUZQBAZ-HTRCEHHLSA-N	-1	0	394.159	0.827	20	5		GCBDRM
COc1ccc(Br)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC000842320018	642330706	/nfs/dbraw/zinc/33/07/06/642330706.db2.gz	SXTRKQYSGJUFJL-VXNVDRBHSA-N	-1	0	379.188	0.928	20	5		GCBDRM
C[S@](=O)C1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1	ZINC000844217005	642397486	/nfs/dbraw/zinc/39/74/86/642397486.db2.gz	DDSCANFSYAYIBD-DEOSSOPVSA-N	-1	0	391.427	0.044	20	5		GCBDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000846003620	642466384	/nfs/dbraw/zinc/46/63/84/642466384.db2.gz	GYSFOXIEQIGARF-UHFFFAOYSA-N	-1	0	382.192	0.703	20	5		GCBDRM
CCO[N-]C(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1I	ZINC000846498746	642489536	/nfs/dbraw/zinc/48/95/36/642489536.db2.gz	RDTMJBISSQXEHN-UHFFFAOYSA-N	-1	0	393.137	0.997	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCN(CC(F)F)CC1	ZINC000847894273	642524512	/nfs/dbraw/zinc/52/45/12/642524512.db2.gz	JVNAUPYMPKQJOC-UHFFFAOYSA-N	-1	0	378.357	0.772	20	5		GCBDRM
CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847894825	642524541	/nfs/dbraw/zinc/52/45/41/642524541.db2.gz	HLPAZNZSDRDJNP-UHFFFAOYSA-N	-1	0	375.359	0.153	20	5		GCBDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)[C@H]1CCOC1	ZINC000850859671	642699953	/nfs/dbraw/zinc/69/99/53/642699953.db2.gz	RSAMHIMISMTXIR-MADCSZMMSA-N	-1	0	393.805	0.687	20	5		GCBDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000850895661	642701043	/nfs/dbraw/zinc/70/10/43/642701043.db2.gz	UWBLRYSTKPUXRK-JTQLQIEISA-N	-1	0	397.203	0.824	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000850887808	642701257	/nfs/dbraw/zinc/70/12/57/642701257.db2.gz	BYWUABDIULDMOM-UHFFFAOYSA-N	-1	0	394.402	0.754	20	5		GCBDRM
O=C([N-]S(=O)(=O)CC(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000851360553	642718064	/nfs/dbraw/zinc/71/80/64/642718064.db2.gz	GATYWZWRJUJLLW-SSDOTTSWSA-N	-1	0	381.313	0.504	20	5		GCBDRM
CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000854591622	642837635	/nfs/dbraw/zinc/83/76/35/642837635.db2.gz	VUMCLWPWNGKPFU-UHFFFAOYSA-N	-1	0	377.400	0.184	20	5		GCBDRM
C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000859097024	642979501	/nfs/dbraw/zinc/97/95/01/642979501.db2.gz	KQTLDSJKFADIAD-SECBINFHSA-N	-1	0	377.423	0.910	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1	ZINC000859138147	642981849	/nfs/dbraw/zinc/98/18/49/642981849.db2.gz	CJDSGLUEAMOCOE-DTORHVGOSA-N	-1	0	375.407	0.662	20	5		GCBDRM
O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000549605188	1192310270	/nfs/dbraw/zinc/31/02/70/1192310270.db2.gz	NDWRTKGHPYJODS-UHFFFAOYSA-N	-1	0	396.347	0.749	20	5		GCBDRM
Cn1cnnc1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000584694874	1192361840	/nfs/dbraw/zinc/36/18/40/1192361840.db2.gz	ZMTOCWKBEMJUJQ-UHFFFAOYSA-N	-1	0	395.397	0.990	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001167861144	1192511500	/nfs/dbraw/zinc/51/15/00/1192511500.db2.gz	FVHZSFRHCMKXAF-RRAGMBSWSA-N	-1	0	393.761	0.849	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1c2ccccc2[N-]S1(=O)=O	ZINC000473266704	1192850002	/nfs/dbraw/zinc/85/00/02/1192850002.db2.gz	WSQXQHPQYCQBLT-UHFFFAOYSA-N	-1	0	380.386	0.475	20	5		GCBDRM
O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000274900444	1184421568	/nfs/dbraw/zinc/42/15/68/1184421568.db2.gz	IBDFMJMQIONOHK-SECBINFHSA-N	-1	0	398.353	0.063	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O	ZINC000274942033	1184437550	/nfs/dbraw/zinc/43/75/50/1184437550.db2.gz	GJVZFCGBUYYKJO-LLVKDONJSA-N	-1	0	385.398	0.423	20	5		GCBDRM
O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NS(=O)(=O)[C@H]1CCOC1	ZINC000274952486	1184441871	/nfs/dbraw/zinc/44/18/71/1184441871.db2.gz	GMFHIOMKWXNASI-FZMZJTMJSA-N	-1	0	383.382	0.780	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc([N+](=O)[O-])c1F	ZINC000274964146	1184443684	/nfs/dbraw/zinc/44/36/84/1184443684.db2.gz	BQSNWKGKDZBNJW-KCJUWKMLSA-N	-1	0	389.361	0.382	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-]	ZINC000275030449	1184467535	/nfs/dbraw/zinc/46/75/35/1184467535.db2.gz	UDHUQVHIAIETGE-ZDUSSCGKSA-N	-1	0	387.414	0.221	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc1C	ZINC000275036784	1184469239	/nfs/dbraw/zinc/46/92/39/1184469239.db2.gz	UURXPXKHKSBKHU-LBPRGKRZSA-N	-1	0	387.414	0.275	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000275088710	1184503575	/nfs/dbraw/zinc/50/35/75/1184503575.db2.gz	JWVVCDAWCIWLFZ-TZMCWYRMSA-N	-1	0	397.409	0.432	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)ccc1[N+](=O)[O-]	ZINC000275132348	1184528820	/nfs/dbraw/zinc/52/88/20/1184528820.db2.gz	PGDKUIVESVNYLY-VXGBXAGGSA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1C	ZINC000275138923	1184529521	/nfs/dbraw/zinc/52/95/21/1184529521.db2.gz	PZFQTFIXOIOCRV-JQWIXIFHSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1C	ZINC000275238016	1184562854	/nfs/dbraw/zinc/56/28/54/1184562854.db2.gz	JXAXCZZLPOLMCF-LBPRGKRZSA-N	-1	0	382.398	0.919	20	5		GCBDRM
COCc1noc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)n1	ZINC000275553763	1184709592	/nfs/dbraw/zinc/70/95/92/1184709592.db2.gz	MATRLEMUIYCESX-UHFFFAOYSA-N	-1	0	377.357	0.788	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](Cn2nc(C)cc2C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547878623	1184733417	/nfs/dbraw/zinc/73/34/17/1184733417.db2.gz	VSBMDDZDAWJOGC-JTQLQIEISA-N	-1	0	386.390	0.056	20	5		GCBDRM
COc1ccc(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000547889963	1184735285	/nfs/dbraw/zinc/73/52/85/1184735285.db2.gz	CDPZDYKTWFDTPR-NSHDSACASA-N	-1	0	398.397	0.559	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000547889003	1184735313	/nfs/dbraw/zinc/73/53/13/1184735313.db2.gz	OPDLJAXKJRDDPS-CYBMUJFWSA-N	-1	0	382.398	0.919	20	5		GCBDRM
Cn1cc(C[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cn1	ZINC000547894937	1184736995	/nfs/dbraw/zinc/73/69/95/1184736995.db2.gz	CMZLYAJPTCNYDQ-SNVBAGLBSA-N	-1	0	386.361	0.689	20	5		GCBDRM
CC1(C)CN(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])CCO1	ZINC000547894005	1184739594	/nfs/dbraw/zinc/73/95/94/1184739594.db2.gz	DSYYEFZNGDUHII-ZDUSSCGKSA-N	-1	0	387.414	0.536	20	5		GCBDRM
O=C([O-])[C@@H](Cc1ccco1)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000547901154	1184740118	/nfs/dbraw/zinc/74/01/18/1184740118.db2.gz	NWEZNZWZZURDEB-SNVBAGLBSA-N	-1	0	398.349	0.933	20	5		GCBDRM
C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000547909752	1184749874	/nfs/dbraw/zinc/74/98/74/1184749874.db2.gz	UDOYUXGGDWBWAZ-SECBINFHSA-N	-1	0	390.370	0.212	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)[O-])cn3)C2)c([N+](=O)[O-])n1	ZINC000547918223	1184769390	/nfs/dbraw/zinc/76/93/90/1184769390.db2.gz	NKXNKIWUUVQEIL-NSHDSACASA-N	-1	0	398.401	0.732	20	5		GCBDRM
NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000050208171	1185220125	/nfs/dbraw/zinc/22/01/25/1185220125.db2.gz	FOPVMGRRAOMMFS-UHFFFAOYSA-N	-1	0	378.366	0.611	20	5		GCBDRM
C[C@@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000580660309	1185298805	/nfs/dbraw/zinc/29/88/05/1185298805.db2.gz	ZSKIVCBAQKKKKS-GFCCVEGCSA-N	-1	0	399.425	0.929	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000262028198	1185308364	/nfs/dbraw/zinc/30/83/64/1185308364.db2.gz	GQEXSBOTAVLKGG-VXGBXAGGSA-N	-1	0	397.409	0.539	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)CC1	ZINC000262163305	1185383131	/nfs/dbraw/zinc/38/31/31/1185383131.db2.gz	SZKSEMTYVWLZCU-GFCCVEGCSA-N	-1	0	398.441	0.442	20	5		GCBDRM
O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1	ZINC000580836209	1185391552	/nfs/dbraw/zinc/39/15/52/1185391552.db2.gz	XDVBRAAVDWYSFJ-UHFFFAOYSA-N	-1	0	397.409	0.683	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc3c(cc2O)n(C)c(=O)n3C)c([N+](=O)[O-])n1	ZINC000581402085	1185645630	/nfs/dbraw/zinc/64/56/30/1185645630.db2.gz	RFXCKUWIINGVAT-UHFFFAOYSA-N	-1	0	396.385	0.508	20	5		GCBDRM
O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000276310499	1185728781	/nfs/dbraw/zinc/72/87/81/1185728781.db2.gz	LTKZCMSRJKCXHV-SNVBAGLBSA-N	-1	0	381.341	0.779	20	5		GCBDRM
CC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1	ZINC000262325670	1185745228	/nfs/dbraw/zinc/74/52/28/1185745228.db2.gz	DKNJUMYLMDYGKX-GFCCVEGCSA-N	-1	0	387.414	0.773	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-]	ZINC000548207761	1185883873	/nfs/dbraw/zinc/88/38/73/1185883873.db2.gz	MSGUBKWEEWTXJK-LBPRGKRZSA-N	-1	0	398.397	0.848	20	5		GCBDRM
Cn1cc(C[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cn1	ZINC000548216898	1185891250	/nfs/dbraw/zinc/89/12/50/1185891250.db2.gz	IHCKYSVBVJFSKF-CYBMUJFWSA-N	-1	0	382.398	0.691	20	5		GCBDRM
NC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000548229701	1185901052	/nfs/dbraw/zinc/90/10/52/1185901052.db2.gz	YMDOGIZHLUHDOQ-ZDUSSCGKSA-N	-1	0	393.377	0.668	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276844825	1186118718	/nfs/dbraw/zinc/11/87/18/1186118718.db2.gz	CRWOKKQLSILVFK-GFCCVEGCSA-N	-1	0	387.414	0.275	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-]	ZINC000276962179	1186177573	/nfs/dbraw/zinc/17/75/73/1186177573.db2.gz	VTVMSBWDSACNCK-LLVKDONJSA-N	-1	0	385.398	0.423	20	5		GCBDRM
O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1	ZINC000277375088	1186352319	/nfs/dbraw/zinc/35/23/19/1186352319.db2.gz	ZWFIZNOSDLTTSQ-NXEZZACHSA-N	-1	0	397.365	0.859	20	5		GCBDRM
C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1	ZINC000263172389	1186358746	/nfs/dbraw/zinc/35/87/46/1186358746.db2.gz	YVGWEQMYRLRWKD-SMDDNHRTSA-N	-1	0	399.425	0.975	20	5		GCBDRM
O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C2	ZINC000263431432	1186397521	/nfs/dbraw/zinc/39/75/21/1186397521.db2.gz	NNFLDOQJNPDJNB-MEDUHNTESA-N	-1	0	397.409	0.586	20	5		GCBDRM
CN(C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000551235580	1186400733	/nfs/dbraw/zinc/40/07/33/1186400733.db2.gz	XMPVVLUGEBGSNG-OLZOCXBDSA-N	-1	0	385.398	0.419	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1	ZINC000551268468	1186406006	/nfs/dbraw/zinc/40/60/06/1186406006.db2.gz	FXJNKOHXFKPHON-KGLIPLIRSA-N	-1	0	399.425	0.695	20	5		GCBDRM
COc1ccc(CSCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1[N+](=O)[O-]	ZINC000370850450	1186424056	/nfs/dbraw/zinc/42/40/56/1186424056.db2.gz	HCNPJBVRDKVPLH-CYBMUJFWSA-N	-1	0	394.413	0.950	20	5		GCBDRM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1	ZINC000277612854	1186537872	/nfs/dbraw/zinc/53/78/72/1186537872.db2.gz	WMPMAFVGOQEUNN-UHFFFAOYSA-N	-1	0	381.370	0.170	20	5		GCBDRM
CO[C@H](C)c1nc(=NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s[n-]1	ZINC000511133019	1186543015	/nfs/dbraw/zinc/54/30/15/1186543015.db2.gz	VRXVVXRPBJNISM-SSDOTTSWSA-N	-1	0	391.365	0.810	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1=O	ZINC000478999769	1186547461	/nfs/dbraw/zinc/54/74/61/1186547461.db2.gz	YTROQEQQFDRVMN-IAQYHMDHSA-N	-1	0	379.369	0.800	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1=O	ZINC000478979741	1186548933	/nfs/dbraw/zinc/54/89/33/1186548933.db2.gz	ADXBNYWIHGYFDV-ZFWWWQNUSA-N	-1	0	379.369	0.800	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](Nc3ncccn3)C2)ccc1[N+](=O)[O-]	ZINC000582730658	1186632081	/nfs/dbraw/zinc/63/20/81/1186632081.db2.gz	MSFZURIZMCSSEY-JTQLQIEISA-N	-1	0	393.381	0.958	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	ZINC000583118780	1186774618	/nfs/dbraw/zinc/77/46/18/1186774618.db2.gz	YXYBCIHQBPBJHQ-IINYFYTJSA-N	-1	0	393.352	0.763	20	5		GCBDRM
O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])NCCN1CCOCC1	ZINC000583264948	1186812844	/nfs/dbraw/zinc/81/28/44/1186812844.db2.gz	INRNFFKTNBBTRD-UHFFFAOYSA-N	-1	0	386.792	0.132	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000572943062	1186814008	/nfs/dbraw/zinc/81/40/08/1186814008.db2.gz	FUDUVILRXXGEMW-PRHODGIISA-N	-1	0	388.354	0.149	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(c3ncnc4c3cnn4C)CC2)n1	ZINC000583997191	1186975330	/nfs/dbraw/zinc/97/53/30/1186975330.db2.gz	XTFXPNZEWJSQTR-UHFFFAOYSA-N	-1	0	398.383	1.000	20	5		GCBDRM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(N2CCS(=O)(=O)CC2)CC1	ZINC000364948156	1187475652	/nfs/dbraw/zinc/47/56/52/1187475652.db2.gz	XFTVKHZJEDZZAI-UHFFFAOYSA-N	-1	0	383.426	0.635	20	5		GCBDRM
O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1=O	ZINC000365067540	1187481191	/nfs/dbraw/zinc/48/11/91/1187481191.db2.gz	VLBHWZFKSYVJTH-SWLSCSKDSA-N	-1	0	387.352	0.334	20	5		GCBDRM
O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1=O	ZINC000365067541	1187481442	/nfs/dbraw/zinc/48/14/42/1187481442.db2.gz	VLBHWZFKSYVJTH-WFASDCNBSA-N	-1	0	387.352	0.334	20	5		GCBDRM
NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)c1	ZINC000580197300	1187675473	/nfs/dbraw/zinc/67/54/73/1187675473.db2.gz	YLWKTVAMOSLIHL-CABCVRRESA-N	-1	0	399.425	0.948	20	5		GCBDRM
CCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1	ZINC000414315943	1187826353	/nfs/dbraw/zinc/82/63/53/1187826353.db2.gz	HBSROYNBSVXVNL-LLVKDONJSA-N	-1	0	385.398	0.972	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c1	ZINC000414334697	1187835973	/nfs/dbraw/zinc/83/59/73/1187835973.db2.gz	GGPMATHACQULID-QWRGUYRKSA-N	-1	0	383.382	0.725	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000417449152	1189664518	/nfs/dbraw/zinc/66/45/18/1189664518.db2.gz	XNDHLFFXFWXLHN-ZIAGYGMSSA-N	-1	0	399.425	0.724	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000417445246	1189665660	/nfs/dbraw/zinc/66/56/60/1189665660.db2.gz	GHTLUWVDUHYNHF-GXTWGEPZSA-N	-1	0	399.425	0.724	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417446112	1189666360	/nfs/dbraw/zinc/66/63/60/1189666360.db2.gz	JQYXMYMMWQIWJS-AAEUAGOBSA-N	-1	0	399.425	0.892	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000417448535	1189667015	/nfs/dbraw/zinc/66/70/15/1189667015.db2.gz	VDFSKJJLFQQVND-KBPBESRZSA-N	-1	0	399.425	0.724	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448511	1189667076	/nfs/dbraw/zinc/66/70/76/1189667076.db2.gz	VATDCSODPZEUPH-FZMZJTMJSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448345	1189667741	/nfs/dbraw/zinc/66/77/41/1189667741.db2.gz	UGRIAKRBNCXNII-JSGCOSHPSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCOC[C@@]23CCOC3)cc1[N+](=O)[O-]	ZINC000566559031	1189712231	/nfs/dbraw/zinc/71/22/31/1189712231.db2.gz	PSDPBBWKEMXNFG-HNNXBMFYSA-N	-1	0	386.382	0.781	20	5		GCBDRM
C[C@H]1OCC[C@@]12CN(S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])CCO2	ZINC000566564977	1189716747	/nfs/dbraw/zinc/71/67/47/1189716747.db2.gz	AZUYDVMWJLCLCN-MEBBXXQBSA-N	-1	0	386.382	0.862	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cn1	ZINC000759808058	1189745316	/nfs/dbraw/zinc/74/53/16/1189745316.db2.gz	YPORPNMOHCDRTE-UHFFFAOYSA-N	-1	0	381.322	0.846	20	5		GCBDRM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1	ZINC000500423633	1189825130	/nfs/dbraw/zinc/82/51/30/1189825130.db2.gz	RITXHFWGMHQTBO-UHFFFAOYSA-N	-1	0	381.366	0.894	20	5		GCBDRM
Cc1nn(C)c(C(=O)NCCN2c3ccccc3[N-]S2(=O)=O)c1[N+](=O)[O-]	ZINC000429926108	1193802699	/nfs/dbraw/zinc/80/26/99/1193802699.db2.gz	PJWFIGAWYFWRQE-UHFFFAOYSA-N	-1	0	380.386	0.543	20	5		GCBDRM
Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000729182759	1193907532	/nfs/dbraw/zinc/90/75/32/1193907532.db2.gz	XRVYBKZWXCKIDX-UHFFFAOYSA-N	-1	0	391.365	0.287	20	5		GCBDRM
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCc1nc(=O)o[n-]1	ZINC000280077525	1193975590	/nfs/dbraw/zinc/97/55/90/1193975590.db2.gz	KEJVQSZDBLCMFV-UHFFFAOYSA-N	-1	0	377.313	0.318	20	5		GCBDRM
NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000421812194	1194365299	/nfs/dbraw/zinc/36/52/99/1194365299.db2.gz	KFARBFPZVOMWST-MGCOHNPYSA-N	-1	0	385.398	0.863	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000422719533	1194694138	/nfs/dbraw/zinc/69/41/38/1194694138.db2.gz	YMHFQKMKEAFQHA-SFHVURJKSA-N	-1	0	390.396	0.567	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2nc(C)cc(=O)n2[n-]1	ZINC000504212117	1194764575	/nfs/dbraw/zinc/76/45/75/1194764575.db2.gz	UFOVISIKFSAMKL-UHFFFAOYSA-N	-1	0	380.342	0.444	20	5		GCBDRM
CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1C	ZINC000504304814	1194778987	/nfs/dbraw/zinc/77/89/87/1194778987.db2.gz	PALAUKKXOHQLKK-UHFFFAOYSA-N	-1	0	383.386	0.655	20	5		GCBDRM
CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424386489	1194810135	/nfs/dbraw/zinc/81/01/35/1194810135.db2.gz	HMQVDNOKAUCEDV-LBPRGKRZSA-N	-1	0	387.370	0.709	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000514615683	1194888247	/nfs/dbraw/zinc/88/82/47/1194888247.db2.gz	IRKIURALSMPFHE-CYBMUJFWSA-N	-1	0	398.441	0.758	20	5		GCBDRM
NC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)c1	ZINC000515698007	1194993297	/nfs/dbraw/zinc/99/32/97/1194993297.db2.gz	ZPKOCWKPAJHYGQ-UHFFFAOYSA-N	-1	0	380.382	0.899	20	5		GCBDRM
CCC(CC)(NC(=O)C1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1)C(N)=O	ZINC000436707058	1195027992	/nfs/dbraw/zinc/02/79/92/1195027992.db2.gz	TZCLOKGQVRXUOP-UHFFFAOYSA-N	-1	0	378.385	0.533	20	5		GCBDRM
O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436886958	1195045355	/nfs/dbraw/zinc/04/53/55/1195045355.db2.gz	VMNJEBMICAVQOW-UHFFFAOYSA-N	-1	0	398.375	0.802	20	5		GCBDRM
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436949826	1195048705	/nfs/dbraw/zinc/04/87/05/1195048705.db2.gz	SKKQXEJASWXLML-LLVKDONJSA-N	-1	0	385.398	0.066	20	5		GCBDRM
COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1S(N)(=O)=O	ZINC000436955851	1195051136	/nfs/dbraw/zinc/05/11/36/1195051136.db2.gz	JGHCTAJNHOBUOG-UHFFFAOYSA-N	-1	0	395.393	0.929	20	5		GCBDRM
COc1ccc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1S(N)(=O)=O	ZINC000436982305	1195053310	/nfs/dbraw/zinc/05/33/10/1195053310.db2.gz	XBTFBTLBDIRELH-UHFFFAOYSA-N	-1	0	395.393	0.929	20	5		GCBDRM
C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000436989150	1195054149	/nfs/dbraw/zinc/05/41/49/1195054149.db2.gz	YRQXOXYFIWJQJZ-CYBMUJFWSA-N	-1	0	392.412	0.306	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)[C@@H]1CCOC1	ZINC000516698610	1195085528	/nfs/dbraw/zinc/08/55/28/1195085528.db2.gz	RLFNVXJSDIWBCI-RNCFNFMXSA-N	-1	0	381.366	0.911	20	5		GCBDRM
COC(=O)c1cnc(S(=O)(=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])[n-]1	ZINC000506881922	1195476865	/nfs/dbraw/zinc/47/68/65/1195476865.db2.gz	SKINVNRGJHKRII-UHFFFAOYSA-N	-1	0	382.354	0.907	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1[N+](=O)[O-]	ZINC000521253399	1195981889	/nfs/dbraw/zinc/98/18/89/1195981889.db2.gz	ADDKGDLCDBXJQU-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
O=C([O-])C1CCC(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000281279011	1196286778	/nfs/dbraw/zinc/28/67/78/1196286778.db2.gz	LUWCUYBEKYCRHT-UHFFFAOYSA-N	-1	0	399.425	0.880	20	5		GCBDRM
O=C([O-])C1CCC(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000281311628	1196287859	/nfs/dbraw/zinc/28/78/59/1196287859.db2.gz	OJBIPFVBAWHJHE-UHFFFAOYSA-N	-1	0	399.425	0.880	20	5		GCBDRM
Cn1cc([C@H]2[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])OCC(=O)N2C)cn1	ZINC000281600401	1196312166	/nfs/dbraw/zinc/31/21/66/1196312166.db2.gz	OOHPXSVOHHSHBO-LSDHHAIUSA-N	-1	0	375.341	0.571	20	5		GCBDRM
COCc1noc(CN2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)n1	ZINC000444819578	1196525063	/nfs/dbraw/zinc/52/50/63/1196525063.db2.gz	SGBDAKBECIMCFK-UHFFFAOYSA-N	-1	0	378.345	0.183	20	5		GCBDRM
COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000447635780	1196735671	/nfs/dbraw/zinc/73/56/71/1196735671.db2.gz	GLLAHYOAQRRAIQ-UHFFFAOYSA-N	-1	0	396.381	0.899	20	5		GCBDRM
COc1c(C)cnc(Cn2cnc(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)c1C	ZINC000447700982	1196741926	/nfs/dbraw/zinc/74/19/26/1196741926.db2.gz	OVUGSYCDUWJQOT-UHFFFAOYSA-N	-1	0	386.372	1.241	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)cc1[N+](=O)[O-]	ZINC000530383173	1196982617	/nfs/dbraw/zinc/98/26/17/1196982617.db2.gz	QBKPLVFWHHBNRJ-ZDUSSCGKSA-N	-1	0	384.370	0.750	20	5		GCBDRM
CCOC(=O)c1cnc(C)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1	ZINC000760249503	1197266552	/nfs/dbraw/zinc/26/65/52/1197266552.db2.gz	VAPWTRQXZFECFR-UHFFFAOYSA-N	-1	0	394.365	0.989	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(OC)cc(OC)n2)c([N+](=O)[O-])c1	ZINC000543642882	1200915045	/nfs/dbraw/zinc/91/50/45/1200915045.db2.gz	IWMPODJNRCTUJD-UHFFFAOYSA-N	-1	0	398.353	0.989	20	5		GCBDRM
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000595249815	1201015697	/nfs/dbraw/zinc/01/56/97/1201015697.db2.gz	KMHQFONOCGMKRT-JTQLQIEISA-N	-1	0	393.404	1.482	20	5		GCBDRM
O=C(CCCn1cccn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000729897211	1201417741	/nfs/dbraw/zinc/41/77/41/1201417741.db2.gz	RCECIPQGFYIDOB-UHFFFAOYSA-N	-1	0	383.342	0.985	20	5		GCBDRM
Cc1c(C(=O)[N-]S(=O)(=O)N(C)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000729916476	1201419721	/nfs/dbraw/zinc/41/97/21/1201419721.db2.gz	QTYUUMIZDKJOCC-UHFFFAOYSA-N	-1	0	382.402	0.799	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000731521207	1201486738	/nfs/dbraw/zinc/48/67/38/1201486738.db2.gz	UIYWHCJSCPNUCE-CYBMUJFWSA-N	-1	0	398.335	0.328	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000731547272	1201487895	/nfs/dbraw/zinc/48/78/95/1201487895.db2.gz	LDOWHSWUHVMGRV-UHFFFAOYSA-N	-1	0	380.386	0.636	20	5		GCBDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000731545943	1201488129	/nfs/dbraw/zinc/48/81/29/1201488129.db2.gz	GHKMNTWPINDEHX-UHFFFAOYSA-N	-1	0	392.353	0.899	20	5		GCBDRM
COC(=O)CS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000731920360	1201510503	/nfs/dbraw/zinc/51/05/03/1201510503.db2.gz	BPLQIWRBVAWXSX-UHFFFAOYSA-N	-1	0	382.354	0.228	20	5		GCBDRM
COCCS(=O)(=O)[N-]C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000732521810	1201547580	/nfs/dbraw/zinc/54/75/80/1201547580.db2.gz	UUUHHTRKGLMTKB-UHFFFAOYSA-N	-1	0	387.370	0.375	20	5		GCBDRM
O=C(Cn1nnc2ccccc2c1=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732619895	1201550768	/nfs/dbraw/zinc/55/07/68/1201550768.db2.gz	BHLDNMSUTDUWSR-UHFFFAOYSA-N	-1	0	395.378	0.266	20	5		GCBDRM
Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1=O	ZINC000732620142	1201550780	/nfs/dbraw/zinc/55/07/80/1201550780.db2.gz	JYJFZIIXMFYJOK-UHFFFAOYSA-N	-1	0	396.406	0.815	20	5		GCBDRM
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000733719898	1201605190	/nfs/dbraw/zinc/60/51/90/1201605190.db2.gz	RHQFKJUTWZLMPM-LLVKDONJSA-N	-1	0	399.381	0.518	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1	ZINC000733858741	1201610561	/nfs/dbraw/zinc/61/05/61/1201610561.db2.gz	KZUXZWRTBHALBA-UHFFFAOYSA-N	-1	0	393.425	0.715	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)c1ccccn1	ZINC000734969535	1201667099	/nfs/dbraw/zinc/66/70/99/1201667099.db2.gz	SKRBHBZGUODISZ-UHFFFAOYSA-N	-1	0	392.349	0.220	20	5		GCBDRM
Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-]	ZINC000735406285	1201688206	/nfs/dbraw/zinc/68/82/06/1201688206.db2.gz	LWWKJOHOBTWOAR-UHFFFAOYSA-N	-1	0	390.377	0.582	20	5		GCBDRM
COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)C	ZINC000741433551	1201779381	/nfs/dbraw/zinc/77/93/81/1201779381.db2.gz	CPHUKKUMKMIKCX-ZDUSSCGKSA-N	-1	0	391.377	0.326	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1	ZINC000744256870	1201838957	/nfs/dbraw/zinc/83/89/57/1201838957.db2.gz	JUWJFXYBWQPCON-UHFFFAOYSA-N	-1	0	394.344	0.621	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744267067	1201839340	/nfs/dbraw/zinc/83/93/40/1201839340.db2.gz	DJLKMNHMCUEPEU-UHFFFAOYSA-N	-1	0	397.287	0.329	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)c2ccc3n[nH]c(=O)n3c2)ccc1[N+](=O)[O-]	ZINC000770151233	1202085676	/nfs/dbraw/zinc/08/56/76/1202085676.db2.gz	RAPHJGCBDSPBCD-UHFFFAOYSA-N	-1	0	393.337	0.470	20	5		GCBDRM
CCCN(C)S(=O)(=O)[N-]C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000770624066	1202106030	/nfs/dbraw/zinc/10/60/30/1202106030.db2.gz	VKJNMCWLSOUJAT-UHFFFAOYSA-N	-1	0	387.418	0.097	20	5		GCBDRM
COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1=O	ZINC000770764837	1202110182	/nfs/dbraw/zinc/11/01/82/1202110182.db2.gz	CRVGXTWYAASSNC-UHFFFAOYSA-N	-1	0	399.356	0.661	20	5		GCBDRM
O=C(Cc1nc2ncccn2n1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770772396	1202110721	/nfs/dbraw/zinc/11/07/21/1202110721.db2.gz	KEXCCJMRUUSVDD-UHFFFAOYSA-N	-1	0	380.317	0.219	20	5		GCBDRM
CCOC(=O)c1cc(S(=O)(=O)[N-]N2CCCNC2=O)cc([N+](=O)[O-])c1C	ZINC000788912032	1205433072	/nfs/dbraw/zinc/43/30/72/1205433072.db2.gz	GTLUEXFBABVLCQ-UHFFFAOYSA-N	-1	0	386.386	0.689	20	5		GCBDRM
COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)Cn2ccc([N+](=O)[O-])n2)c1	ZINC000789580255	1205443011	/nfs/dbraw/zinc/44/30/11/1205443011.db2.gz	OQVUMHKATGOTKU-UHFFFAOYSA-N	-1	0	382.354	0.224	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)c([N+](=O)[O-])c1	ZINC000790636216	1205467715	/nfs/dbraw/zinc/46/77/15/1205467715.db2.gz	OGFMSGGQLGLXKJ-UHFFFAOYSA-N	-1	0	378.326	0.620	20	5		GCBDRM
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ncccc1F	ZINC000791940487	1205481863	/nfs/dbraw/zinc/48/18/63/1205481863.db2.gz	SUVNGMUWQAKGHD-UHFFFAOYSA-N	-1	0	396.356	0.754	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ncccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000791938464	1205482001	/nfs/dbraw/zinc/48/20/01/1205482001.db2.gz	ADUCIPFXIPBQHK-UHFFFAOYSA-N	-1	0	392.328	0.828	20	5		GCBDRM
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)Cc1ccccn1	ZINC000793313278	1205497960	/nfs/dbraw/zinc/49/79/60/1205497960.db2.gz	QVFKBDLQXLKLDA-UHFFFAOYSA-N	-1	0	392.393	0.756	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1	ZINC000793332128	1205498155	/nfs/dbraw/zinc/49/81/55/1205498155.db2.gz	BQCKWYSVHSQEEI-UHFFFAOYSA-N	-1	0	397.344	0.471	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1	ZINC000747288321	1205548328	/nfs/dbraw/zinc/54/83/28/1205548328.db2.gz	IGHMYVMNCRTOCC-UHFFFAOYSA-N	-1	0	392.353	0.737	20	5		GCBDRM
O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000807992611	1205595302	/nfs/dbraw/zinc/59/53/02/1205595302.db2.gz	HWYWZKKVINGAFB-UHFFFAOYSA-N	-1	0	376.358	0.236	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000809031526	1205616630	/nfs/dbraw/zinc/61/66/30/1205616630.db2.gz	CVZXKVHEXXGBBF-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000809030810	1205616684	/nfs/dbraw/zinc/61/66/84/1205616684.db2.gz	KPDZYHPHZVZWTA-UHFFFAOYSA-N	-1	0	391.369	0.336	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000809030512	1205616713	/nfs/dbraw/zinc/61/67/13/1205616713.db2.gz	CJMVXWXUEIKKLM-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
COc1cc(OCC(=O)[N-]S(=O)(=O)c2cn(C)nc2C)ccc1[N+](=O)[O-]	ZINC000809034658	1205617950	/nfs/dbraw/zinc/61/79/50/1205617950.db2.gz	BQZDOQSKFVRCAM-UHFFFAOYSA-N	-1	0	384.370	0.529	20	5		GCBDRM
COc1ccc(C(=O)COC(=O)Cn2ccc([N+](=O)[O-])n2)c2occ([O-])c21	ZINC000811091001	1205646877	/nfs/dbraw/zinc/64/68/77/1205646877.db2.gz	WXRVVQSFMXDXRW-UHFFFAOYSA-N	-1	0	375.293	0.801	20	5		GCBDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	ZINC000811156251	1205648027	/nfs/dbraw/zinc/64/80/27/1205648027.db2.gz	KCUJCJSURPZLFS-UHFFFAOYSA-N	-1	0	399.425	0.670	20	5		GCBDRM
O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(N3CCOC3=O)c([N+](=O)[O-])c1)C2	ZINC000811673147	1205654605	/nfs/dbraw/zinc/65/46/05/1205654605.db2.gz	DZQIZBLABNRWRV-RFAUZJTJSA-N	-1	0	397.365	0.647	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cnn1C	ZINC000813954202	1205682021	/nfs/dbraw/zinc/68/20/21/1205682021.db2.gz	OPSCVGJLQGEPKF-UHFFFAOYSA-N	-1	0	382.354	0.527	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1	ZINC000813950483	1205683495	/nfs/dbraw/zinc/68/34/95/1205683495.db2.gz	RRAZEVRWUOFQRM-UHFFFAOYSA-N	-1	0	398.441	0.398	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000813990148	1205683890	/nfs/dbraw/zinc/68/38/90/1205683890.db2.gz	FPFBFDNBKSMKFM-UHFFFAOYSA-N	-1	0	391.369	0.336	20	5		GCBDRM
Cn1c2ccc(S(=O)(=O)[N-]C(=O)c3ccc([N+](=O)[O-])[nH]3)cc2n(C)c1=O	ZINC000774910210	1205926578	/nfs/dbraw/zinc/92/65/78/1205926578.db2.gz	KFSGECBVKQLELG-UHFFFAOYSA-N	-1	0	379.354	0.232	20	5		GCBDRM
Cn1c2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3[N+](=O)[O-])cc2n(C)c1=O	ZINC000774927694	1205929191	/nfs/dbraw/zinc/92/91/91/1205929191.db2.gz	GLYMHALVWPELPQ-UHFFFAOYSA-N	-1	0	390.377	0.904	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCCOC1	ZINC000450517682	939207885	/nfs/dbraw/zinc/20/78/85/939207885.db2.gz	GSVFXEDIJDWPLF-QLJPJBMISA-N	-1	0	380.353	0.905	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCCOC1	ZINC000450517680	939207966	/nfs/dbraw/zinc/20/79/66/939207966.db2.gz	GSVFXEDIJDWPLF-MGPLVRAMSA-N	-1	0	380.353	0.905	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000874965675	939266067	/nfs/dbraw/zinc/26/60/67/939266067.db2.gz	CGQIUNPKMHKJDK-HNNXBMFYSA-N	-1	0	392.324	0.470	20	5		GCBDRM
COc1ccc([C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C(=O)[O-])c(OC)c1	ZINC000584335693	939797200	/nfs/dbraw/zinc/79/72/00/939797200.db2.gz	ZGIAIOZBJRFVRB-CQSZACIVSA-N	-1	0	393.356	0.934	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000592425033	939800914	/nfs/dbraw/zinc/80/09/14/939800914.db2.gz	RCHMDCKTIRPUSK-CYBMUJFWSA-N	-1	0	375.341	0.826	20	5		GCBDRM
COCCn1nc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1=O	ZINC000600877775	939806017	/nfs/dbraw/zinc/80/60/17/939806017.db2.gz	UBMXXVYKBSZYRF-KRWDZBQOSA-N	-1	0	390.352	0.528	20	5		GCBDRM
C[C@](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600882687	939807388	/nfs/dbraw/zinc/80/73/88/939807388.db2.gz	UVMHUOSQANCMFP-MEDUHNTESA-N	-1	0	399.425	0.682	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826450237	948316274	/nfs/dbraw/zinc/31/62/74/948316274.db2.gz	CFWBBLZMRAIREU-UHFFFAOYSA-N	-1	0	381.305	0.361	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826450022	948317059	/nfs/dbraw/zinc/31/70/59/948317059.db2.gz	TZRWMHIYSGDSSV-UHFFFAOYSA-N	-1	0	377.342	0.363	20	5		GCBDRM
O=C([O-])C1(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCOCC1	ZINC001595278251	949950174	/nfs/dbraw/zinc/95/01/74/949950174.db2.gz	JMBBHUCSJFFUEW-UHFFFAOYSA-N	-1	0	391.380	0.761	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263303946	950357313	/nfs/dbraw/zinc/35/73/13/950357313.db2.gz	XKKLZFIDFBLDJW-LLVKDONJSA-N	-1	0	385.398	0.875	20	5		GCBDRM
CCN(CC)S(=O)(=O)c1ccc(N2CCOC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC001589727327	950471325	/nfs/dbraw/zinc/47/13/25/950471325.db2.gz	IWCZKGBSDLXOCF-AWEZNQCLSA-N	-1	0	387.414	0.915	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263453334	950471754	/nfs/dbraw/zinc/47/17/54/950471754.db2.gz	OOLKIDSRWJILNE-OAHLLOKOSA-N	-1	0	385.398	0.729	20	5		GCBDRM
C[C@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000263542465	950506761	/nfs/dbraw/zinc/50/67/61/950506761.db2.gz	DTQPKXQYXVIWPV-SNVBAGLBSA-N	-1	0	385.398	0.679	20	5		GCBDRM
O=C([O-])CN1CCC[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O	ZINC001595086414	951732971	/nfs/dbraw/zinc/73/29/71/951732971.db2.gz	JSGGTDRKCFJEFF-GFCCVEGCSA-N	-1	0	379.373	0.278	20	5		GCBDRM
O=C([O-])Cn1cc(NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)cn1	ZINC001595148825	952131434	/nfs/dbraw/zinc/13/14/34/952131434.db2.gz	WXCJFNHFDJOOJW-UHFFFAOYSA-N	-1	0	395.278	0.953	20	5		GCBDRM
O=C([O-])Cn1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1=O	ZINC001595154908	952160335	/nfs/dbraw/zinc/16/03/35/952160335.db2.gz	QVZOWDQGVFMPKX-UHFFFAOYSA-N	-1	0	386.364	0.804	20	5		GCBDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422579492	953424443	/nfs/dbraw/zinc/42/44/43/953424443.db2.gz	HQQJKCSSXGICTK-VXGBXAGGSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CN(CC(=O)NCCC(C)(C)C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000424227531	953428869	/nfs/dbraw/zinc/42/88/69/953428869.db2.gz	GLQDXFVBZDSPSE-UHFFFAOYSA-N	-1	0	387.414	0.832	20	5		GCBDRM
C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)[O-]	ZINC000424255144	953437304	/nfs/dbraw/zinc/43/73/04/953437304.db2.gz	LOUDEKNWYYLJOS-XHDPSFHLSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-]	ZINC000424270521	953447697	/nfs/dbraw/zinc/44/76/97/953447697.db2.gz	XVDUOXIMWJJGPM-XHDPSFHLSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CC(C)(C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)n1cc([N+](=O)[O-])cn1	ZINC000593919785	953754856	/nfs/dbraw/zinc/75/48/56/953754856.db2.gz	BHSQFRBHTCEGDS-LLVKDONJSA-N	-1	0	393.400	0.451	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@]1(C)C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001593716292	954220099	/nfs/dbraw/zinc/22/00/99/954220099.db2.gz	DZZFBUKFUGMFMY-HNNXBMFYSA-N	-1	0	385.398	0.681	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1(C(=O)[O-])CCC1	ZINC001593750945	954407515	/nfs/dbraw/zinc/40/75/15/954407515.db2.gz	MPNQHPOMANARJF-UHFFFAOYSA-N	-1	0	385.398	0.586	20	5		GCBDRM
O=C([O-])C(=O)N1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000738517800	955246947	/nfs/dbraw/zinc/24/69/47/955246947.db2.gz	OEMHUBGKAOAHBB-UHFFFAOYSA-N	-1	0	390.396	0.567	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)n1	ZINC001594548764	955702328	/nfs/dbraw/zinc/70/23/28/955702328.db2.gz	RXOHGNBVALMACW-NWDGAFQWSA-N	-1	0	380.382	0.817	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1	ZINC001593966037	956538162	/nfs/dbraw/zinc/53/81/62/956538162.db2.gz	UOCBLMZYWHHRGU-GOSISDBHSA-N	-1	0	393.396	0.995	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO1	ZINC001593986209	956784613	/nfs/dbraw/zinc/78/46/13/956784613.db2.gz	QCFRMWINJCHSBB-HNNXBMFYSA-N	-1	0	387.776	0.989	20	5		GCBDRM
COc1cc(OCC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)ccc1[N+](=O)[O-]	ZINC001594067491	958148294	/nfs/dbraw/zinc/14/82/94/958148294.db2.gz	FTTSSNSVDKNKQT-GFCCVEGCSA-N	-1	0	395.368	0.564	20	5		GCBDRM
Cc1cc(Cl)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001574330425	960874939	/nfs/dbraw/zinc/87/49/39/960874939.db2.gz	SRBYNBDGXSSDFU-NSHDSACASA-N	-1	0	376.774	0.880	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCCC(=O)[O-])CC1	ZINC000262059504	961422461	/nfs/dbraw/zinc/42/24/61/961422461.db2.gz	ATRDOCJELAANJA-UHFFFAOYSA-N	-1	0	399.425	0.895	20	5		GCBDRM
CCCN(CC(=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000262143778	961495780	/nfs/dbraw/zinc/49/57/80/961495780.db2.gz	QEGHTVJVZUENDX-UHFFFAOYSA-N	-1	0	387.414	0.917	20	5		GCBDRM
C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H](C(=O)[O-])O1	ZINC000262180250	961528146	/nfs/dbraw/zinc/52/81/46/961528146.db2.gz	GFRYVOCTGWRPEU-RNCFNFMXSA-N	-1	0	379.325	0.021	20	5		GCBDRM
CS(=O)(=O)N1CCC(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000262207115	961553807	/nfs/dbraw/zinc/55/38/07/961553807.db2.gz	VIHNWSJVTSNIKB-UHFFFAOYSA-N	-1	0	385.398	0.694	20	5		GCBDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263188362	962343304	/nfs/dbraw/zinc/34/33/04/962343304.db2.gz	XNAPOVHOLOGUCS-ZWNOBZJWSA-N	-1	0	385.398	0.585	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC001574649278	962414778	/nfs/dbraw/zinc/41/47/78/962414778.db2.gz	YOMFIKKQZRGUTO-LRDDRELGSA-N	-1	0	391.380	0.552	20	5		GCBDRM
Cc1c(C(=O)N2CCOC[C@H]2CC(=O)[O-])nnn1-c1cccc([N+](=O)[O-])c1	ZINC000263339319	962490920	/nfs/dbraw/zinc/49/09/20/962490920.db2.gz	WZCYTOMOMAQZJO-CYBMUJFWSA-N	-1	0	375.341	0.800	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1	ZINC001574661685	962494500	/nfs/dbraw/zinc/49/45/00/962494500.db2.gz	RKLNMOZNOMDTGR-LBPRGKRZSA-N	-1	0	377.309	0.174	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	ZINC001574669942	962546989	/nfs/dbraw/zinc/54/69/89/962546989.db2.gz	XWXNEKOPPRAUQZ-ZDUSSCGKSA-N	-1	0	381.366	0.260	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CCO1	ZINC001574144631	962607797	/nfs/dbraw/zinc/60/77/97/962607797.db2.gz	ANKREHYUWCSRCK-OAHLLOKOSA-N	-1	0	388.398	0.702	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC001574724426	962808193	/nfs/dbraw/zinc/80/81/93/962808193.db2.gz	UBRJPMPFVSPGOZ-AWEZNQCLSA-N	-1	0	378.385	0.902	20	5		GCBDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000263094094	967846028	/nfs/dbraw/zinc/84/60/28/967846028.db2.gz	CIVPJSWGVNMBNA-GHMZBOCLSA-N	-1	0	385.398	0.585	20	5		GCBDRM
C[C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC000567879234	968436021	/nfs/dbraw/zinc/43/60/21/968436021.db2.gz	OBBAOOHIBFWDPD-SMDDNHRTSA-N	-1	0	378.385	0.963	20	5		GCBDRM
CN(CC(=O)N(CC(=O)[O-])C1CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000594467753	968496387	/nfs/dbraw/zinc/49/63/87/968496387.db2.gz	ZKGZZZAOTYCSSG-UHFFFAOYSA-N	-1	0	385.398	0.681	20	5		GCBDRM
O=C([O-])C(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1	ZINC001605885759	972676022	/nfs/dbraw/zinc/67/60/22/972676022.db2.gz	OGQDRFPFGWECGI-UHFFFAOYSA-N	-1	0	388.336	0.277	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC001604525692	973475495	/nfs/dbraw/zinc/47/54/95/973475495.db2.gz	AXFXMUOVQAPGLT-PIGZYNQJSA-N	-1	0	395.368	0.742	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1	ZINC001604536003	973508898	/nfs/dbraw/zinc/50/88/98/973508898.db2.gz	SXWZUXJFZRCWDJ-OAHLLOKOSA-N	-1	0	386.382	0.562	20	5		GCBDRM
O=C([O-])CN1CCC[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O	ZINC001606251329	973555377	/nfs/dbraw/zinc/55/53/77/973555377.db2.gz	OCODOMVIMWTIDF-HNNXBMFYSA-N	-1	0	390.396	0.567	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1	ZINC001604556524	973586596	/nfs/dbraw/zinc/58/65/96/973586596.db2.gz	AOXOUNPKJHVOQG-MRXNPFEDSA-N	-1	0	385.348	0.865	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1=O	ZINC001606258992	973617368	/nfs/dbraw/zinc/61/73/68/973617368.db2.gz	LZDAAXBHDIPZCB-GFCCVEGCSA-N	-1	0	385.398	0.480	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001604762758	973978674	/nfs/dbraw/zinc/97/86/74/973978674.db2.gz	ONCWSCNWZOJJIM-ZYHUDNBSSA-N	-1	0	379.369	0.902	20	5		GCBDRM
COCCOC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1	ZINC000567730491	974640190	/nfs/dbraw/zinc/64/01/90/974640190.db2.gz	DPXPOYQIRTYSHT-NSHDSACASA-N	-1	0	388.398	0.967	20	5		GCBDRM
O=C([O-])c1cnc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc1	ZINC000575991898	974805026	/nfs/dbraw/zinc/80/50/26/974805026.db2.gz	HUAPAQJUEIPWDR-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1	ZINC000582304109	974924424	/nfs/dbraw/zinc/92/44/24/974924424.db2.gz	ALELUAMTCPCDMY-JTQLQIEISA-N	-1	0	384.414	0.986	20	5		GCBDRM
C[C@@H](CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-]	ZINC000736562053	978343021	/nfs/dbraw/zinc/34/30/21/978343021.db2.gz	NUMJIZBWLXXZBK-NSHDSACASA-N	-1	0	399.425	0.927	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)OCc2noc(CCC(=O)[O-])n2)cc([N+](=O)[O-])c1	ZINC000738168757	978494759	/nfs/dbraw/zinc/49/47/59/978494759.db2.gz	XAYOBSBURDTFLL-UHFFFAOYSA-N	-1	0	399.337	0.756	20	5		GCBDRM
O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000738486193	978546510	/nfs/dbraw/zinc/54/65/10/978546510.db2.gz	CQTSAXIWCJFYCD-UHFFFAOYSA-N	-1	0	385.760	0.416	20	5		GCBDRM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1	ZINC000827375542	978958214	/nfs/dbraw/zinc/95/82/14/978958214.db2.gz	ZBWFAXSBCUSTNO-NSHDSACASA-N	-1	0	399.425	0.619	20	5		GCBDRM
O=C([O-])CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCOCC1	ZINC000833244712	979127094	/nfs/dbraw/zinc/12/70/94/979127094.db2.gz	AYNXJHYAIAVBEI-UHFFFAOYSA-N	-1	0	391.336	0.283	20	5		GCBDRM
C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)CN1CCOCC1	ZINC001592722260	979222843	/nfs/dbraw/zinc/22/28/43/979222843.db2.gz	FOUGQJFXBKAMPK-LLVKDONJSA-N	-1	0	387.414	0.540	20	5		GCBDRM
CC[C@H](CN1CCOCC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001595131547	979554823	/nfs/dbraw/zinc/55/48/23/979554823.db2.gz	WXPOYOHMXYDAFU-LLVKDONJSA-N	-1	0	387.414	0.682	20	5		GCBDRM
CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001595173943	979753437	/nfs/dbraw/zinc/75/34/37/979753437.db2.gz	JALFUKJZPNSPKJ-LLVKDONJSA-N	-1	0	387.414	0.370	20	5		GCBDRM
CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)C1	ZINC001596573523	984469112	/nfs/dbraw/zinc/46/91/12/984469112.db2.gz	IBQKATKKHOBTAN-SNVBAGLBSA-N	-1	0	381.341	0.256	20	5		GCBDRM
C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C(=O)[O-])O1	ZINC001599912147	984999498	/nfs/dbraw/zinc/99/94/98/984999498.db2.gz	JYNHIZJNKIZDDO-UMNHJUIQSA-N	-1	0	381.341	0.493	20	5		GCBDRM
CC(=O)N1CCN(C(=O)CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1	ZINC001589080170	985243050	/nfs/dbraw/zinc/24/30/50/985243050.db2.gz	TXMNWLADCSWXJH-QGZVFWFLSA-N	-1	0	378.385	0.175	20	5		GCBDRM
CC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])C[C@@H]2C1	ZINC001589097953	985297969	/nfs/dbraw/zinc/29/79/69/985297969.db2.gz	SRCVUWHWLJHXRQ-PHIMTYICSA-N	-1	0	383.382	0.392	20	5		GCBDRM
C[C@@H]1CN(CCC(=O)[O-])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC001594525313	986035437	/nfs/dbraw/zinc/03/54/37/986035437.db2.gz	JMSGSNGEAMGXDH-SNVBAGLBSA-N	-1	0	375.378	0.903	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H](C)CN1CCO	ZINC001594557258	986303914	/nfs/dbraw/zinc/30/39/14/986303914.db2.gz	WULGCPMAXONZFN-QWRGUYRKSA-N	-1	0	387.414	0.369	20	5		GCBDRM
CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1OC	ZINC001597045353	986508505	/nfs/dbraw/zinc/50/85/05/986508505.db2.gz	YJDXOGJQUBBFNO-LLVKDONJSA-N	-1	0	395.368	0.808	20	5		GCBDRM
C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H]1CC(=O)[O-]	ZINC001599853864	989057392	/nfs/dbraw/zinc/05/73/92/989057392.db2.gz	RNDBXNQXBWQPFU-GHMZBOCLSA-N	-1	0	377.353	0.889	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC001599877188	989434319	/nfs/dbraw/zinc/43/43/19/989434319.db2.gz	JZHLJMMMNRUVDC-VXGBXAGGSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c([N+](=O)[O-])n1	ZINC001597898184	989766012	/nfs/dbraw/zinc/76/60/12/989766012.db2.gz	LQIDSUUYKDULAD-VPOLOUISSA-N	-1	0	388.402	0.595	20	5		GCBDRM
CC(C)(NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001590879179	990790906	/nfs/dbraw/zinc/79/09/06/990790906.db2.gz	OHIVXDTXJKDXFE-VIFPVBQESA-N	-1	0	397.203	0.860	20	5		GCBDRM
CN(C)S(=O)(=O)N1CC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1	ZINC001598264865	991104885	/nfs/dbraw/zinc/10/48/85/991104885.db2.gz	ACJKQMAHJXWBPZ-UHFFFAOYSA-N	-1	0	378.794	0.849	20	5		GCBDRM
CC(C)[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001591040978	991384051	/nfs/dbraw/zinc/38/40/51/991384051.db2.gz	VKPIVHLGXMIDPI-CQSZACIVSA-N	-1	0	382.373	0.682	20	5		GCBDRM
CN(CC(=O)N[C@@H](CCF)C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598387532	991623698	/nfs/dbraw/zinc/62/36/98/991623698.db2.gz	RLUNLKWHIOSTFB-NSHDSACASA-N	-1	0	377.350	0.144	20	5		GCBDRM
CS(=O)(=O)NC[C@@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1	ZINC001599759391	992099360	/nfs/dbraw/zinc/09/93/60/992099360.db2.gz	RLVADJPNBHUTJP-LBPRGKRZSA-N	-1	0	387.414	0.429	20	5		GCBDRM
CS(=O)(=O)NC[C@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1	ZINC001599759390	992099397	/nfs/dbraw/zinc/09/93/97/992099397.db2.gz	RLVADJPNBHUTJP-GFCCVEGCSA-N	-1	0	387.414	0.429	20	5		GCBDRM
CC(C)NC(=O)CN(C)CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001591641187	992957410	/nfs/dbraw/zinc/95/74/10/992957410.db2.gz	LYTIOFOCRWJPCM-QGZVFWFLSA-N	-1	0	380.401	0.467	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC001598565147	993134764	/nfs/dbraw/zinc/13/47/64/993134764.db2.gz	BOMTXCGINVZJGM-VIFPVBQESA-N	-1	0	377.762	0.164	20	5		GCBDRM
CN1CCC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])CC2)C1=O	ZINC001598596790	993516962	/nfs/dbraw/zinc/51/69/62/993516962.db2.gz	YLARHLSNNQOHAS-UHFFFAOYSA-N	-1	0	397.409	0.926	20	5		GCBDRM
COc1ccc(NC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc1[N+](=O)[O-]	ZINC001599595277	993741049	/nfs/dbraw/zinc/74/10/49/993741049.db2.gz	XVXOLDFEFIXASF-KRWDZBQOSA-N	-1	0	394.384	0.997	20	5		GCBDRM
CNC(=O)[C@@]1(C)CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001598635323	994238288	/nfs/dbraw/zinc/23/82/88/994238288.db2.gz	ABSYBPWNXBEWBG-BTDLBPIBSA-N	-1	0	378.385	0.760	20	5		GCBDRM
CNC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCO1	ZINC001598637518	994265401	/nfs/dbraw/zinc/26/54/01/994265401.db2.gz	MCIWBMAIXHKELU-GFCCVEGCSA-N	-1	0	397.409	0.749	20	5		GCBDRM
CNS(=O)(=O)c1ccc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001598677199	994865457	/nfs/dbraw/zinc/86/54/57/994865457.db2.gz	RXBVIWMJCABLDE-ZUZCIYMTSA-N	-1	0	385.398	0.430	20	5		GCBDRM
COC(=O)[C@H](C)NC(=O)c1ccc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([N+](=O)[O-])c1	ZINC001598690629	995059383	/nfs/dbraw/zinc/05/93/83/995059383.db2.gz	NNYVHGFBGSPRPA-HJUHTLPRSA-N	-1	0	377.353	0.653	20	5		GCBDRM
C[C@@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@H](C)C1	ZINC001593464236	995396188	/nfs/dbraw/zinc/39/61/88/995396188.db2.gz	ZLBWTSJLBFTNQY-GHMZBOCLSA-N	-1	0	387.414	0.369	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC001598752025	995666787	/nfs/dbraw/zinc/66/67/87/995666787.db2.gz	BKACINUEWKBRHN-GWCFXTLKSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC001598765198	995822499	/nfs/dbraw/zinc/82/24/99/995822499.db2.gz	HXFCSPJROWMFBD-BXUZGUMPSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC001598771273	995885416	/nfs/dbraw/zinc/88/54/16/995885416.db2.gz	RZECKNGLOGPNCY-WCBMZHEXSA-N	-1	0	380.309	0.802	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1	ZINC001598773511	995906730	/nfs/dbraw/zinc/90/67/30/995906730.db2.gz	ASBZHDCORTXMBR-WFASDCNBSA-N	-1	0	391.380	0.822	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC001598778358	995955162	/nfs/dbraw/zinc/95/51/62/995955162.db2.gz	DSFDILTVKIVCNR-GWCFXTLKSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC001598785057	996021736	/nfs/dbraw/zinc/02/17/36/996021736.db2.gz	MMZRMEODPOZKLY-DGCLKSJQSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC001598785686	996027402	/nfs/dbraw/zinc/02/74/02/996027402.db2.gz	RCJNWAGOZLYGOB-WCQYABFASA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC001598786007	996029833	/nfs/dbraw/zinc/02/98/33/996029833.db2.gz	XHQZMLQCNYKGIP-GWCFXTLKSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC001598800470	996134824	/nfs/dbraw/zinc/13/48/24/996134824.db2.gz	UDUMGEYEUCIVAL-PSASIEDQSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC001598800474	996134826	/nfs/dbraw/zinc/13/48/26/996134826.db2.gz	UDUMGEYEUCIVAL-WCBMZHEXSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H]1C(=O)[O-]	ZINC001598814311	996257046	/nfs/dbraw/zinc/25/70/46/996257046.db2.gz	CBXKOINVMACRRG-VHSXEESVSA-N	-1	0	383.332	0.746	20	5		GCBDRM
COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1C(=O)[O-]	ZINC001598814307	996257143	/nfs/dbraw/zinc/25/71/43/996257143.db2.gz	CBXKOINVMACRRG-NXEZZACHSA-N	-1	0	383.332	0.746	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598822971	996349991	/nfs/dbraw/zinc/34/99/91/996349991.db2.gz	APWALRHENTULCZ-SFYZADRCSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598822970	996350239	/nfs/dbraw/zinc/35/02/39/996350239.db2.gz	APWALRHENTULCZ-JGVFFNPUSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C(=O)[O-]	ZINC001598824926	996371483	/nfs/dbraw/zinc/37/14/83/996371483.db2.gz	ITTFBJCSDAHWGA-QWRGUYRKSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001598881456	996816094	/nfs/dbraw/zinc/81/60/94/996816094.db2.gz	DILDOQJJGTUOJZ-JTQLQIEISA-N	-1	0	380.357	0.686	20	5		GCBDRM
COC(=O)c1cc(C)nc(N(CCN2CCOCC2)CC(=O)[O-])c1[N+](=O)[O-]	ZINC001598927384	997674226	/nfs/dbraw/zinc/67/42/26/997674226.db2.gz	IAQWREZLTCVRRA-UHFFFAOYSA-N	-1	0	382.373	0.308	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001599335130	997821245	/nfs/dbraw/zinc/82/12/45/997821245.db2.gz	DXUVGAQWFNLBAZ-QMMMGPOBSA-N	-1	0	378.334	0.607	20	5		GCBDRM
COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001599248775	998192527	/nfs/dbraw/zinc/19/25/27/998192527.db2.gz	YYJSLPDWDSGPAX-XHDPSFHLSA-N	-1	0	382.369	0.779	20	5		GCBDRM
COc1ccc(CSCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC001599576391	998449757	/nfs/dbraw/zinc/44/97/57/998449757.db2.gz	IDJNMIIGILCTCF-UWVGGRQHSA-N	-1	0	399.425	0.931	20	5		GCBDRM
COC[C@@H](CS(=O)(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)OC	ZINC001599167031	998558005	/nfs/dbraw/zinc/55/80/05/998558005.db2.gz	USFUHWZTPXMDFR-JSGCOSHPSA-N	-1	0	376.387	0.475	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC001599066866	999304370	/nfs/dbraw/zinc/30/43/70/999304370.db2.gz	ZOTFSMODOWVGFO-QLJPJBMISA-N	-1	0	381.341	0.495	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)C1	ZINC001599068827	999317215	/nfs/dbraw/zinc/31/72/15/999317215.db2.gz	SIUURTPRZGXFHC-HNNXBMFYSA-N	-1	0	399.306	0.735	20	5		GCBDRM
C[S@@](=O)C1(C(=O)[O-])CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1	ZINC000518192263	530145167	/nfs/dbraw/zinc/14/51/67/530145167.db2.gz	ARQBVXOPVXLVOI-XMMPIXPASA-N	-1	0	391.427	0.044	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCS(=O)(=O)c2ccccc2)n1	ZINC000599222316	530160655	/nfs/dbraw/zinc/16/06/55/530160655.db2.gz	VLNYGDOFXJCZKQ-UHFFFAOYSA-N	-1	0	388.427	0.471	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)Cc3ccccc32)n1	ZINC000599356637	530163349	/nfs/dbraw/zinc/16/33/49/530163349.db2.gz	NXKVSVWFHDOZGY-LLVKDONJSA-N	-1	0	386.411	0.276	20	5		GCBDRM
COC(=O)CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC	ZINC000469056323	530171153	/nfs/dbraw/zinc/17/11/53/530171153.db2.gz	WEUDBGGYZYOBCO-VIFPVBQESA-N	-1	0	378.334	0.507	20	5		GCBDRM
O=C1CNC(=O)N1CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000285301190	530221002	/nfs/dbraw/zinc/22/10/02/530221002.db2.gz	UQSOHVQNXBWWBL-UHFFFAOYSA-N	-1	0	394.768	0.608	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1	ZINC000514726212	530272854	/nfs/dbraw/zinc/27/28/54/530272854.db2.gz	ZDJADRYAGLDLJF-QMMMGPOBSA-N	-1	0	378.384	0.149	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000572965425	530282630	/nfs/dbraw/zinc/28/26/30/530282630.db2.gz	ONALJRIAWDYXCP-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000263451015	530252619	/nfs/dbraw/zinc/25/26/19/530252619.db2.gz	AMONEPPFIJPQED-NSHDSACASA-N	-1	0	397.203	0.780	20	5		GCBDRM
CCC[C@H](O)[C@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000562310981	530267544	/nfs/dbraw/zinc/26/75/44/530267544.db2.gz	NYXNJNZDUYJQCK-QWRGUYRKSA-N	-1	0	380.350	0.635	20	5		GCBDRM
CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000562310979	530267644	/nfs/dbraw/zinc/26/76/44/530267644.db2.gz	NYXNJNZDUYJQCK-GHMZBOCLSA-N	-1	0	380.350	0.635	20	5		GCBDRM
O=C([O-])COCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000614355136	530309959	/nfs/dbraw/zinc/30/99/59/530309959.db2.gz	OXNFIJPRUTULJX-UHFFFAOYSA-N	-1	0	383.176	0.737	20	5		GCBDRM
C[C@H]([C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000517239007	530315461	/nfs/dbraw/zinc/31/54/61/530315461.db2.gz	LKTREUAJKBDBOV-DTWKUNHWSA-N	-1	0	394.427	0.735	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000580266994	530323665	/nfs/dbraw/zinc/32/36/65/530323665.db2.gz	JUKUKVWYJWMRAC-SFDCACGMSA-N	-1	0	376.412	0.418	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1(S(C)(=O)=O)CC1	ZINC000580652102	530324143	/nfs/dbraw/zinc/32/41/43/530324143.db2.gz	ZDHFPMGEPPRIHO-QMMMGPOBSA-N	-1	0	392.411	0.537	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCS(=O)(=O)C2)c1	ZINC000580833729	530324417	/nfs/dbraw/zinc/32/44/17/530324417.db2.gz	BGPUYRPGHAOBKY-NSHDSACASA-N	-1	0	386.411	0.952	20	5		GCBDRM
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000582424701	530327363	/nfs/dbraw/zinc/32/73/63/530327363.db2.gz	VMBBXKUAGNVSDM-MRVPVSSYSA-N	-1	0	378.384	0.101	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000582521549	530327841	/nfs/dbraw/zinc/32/78/41/530327841.db2.gz	GNLAKSSAGPVJBP-MRVPVSSYSA-N	-1	0	380.350	0.589	20	5		GCBDRM
NC(=O)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOCC1	ZINC000281128886	530357070	/nfs/dbraw/zinc/35/70/70/530357070.db2.gz	IHUJZFDOBJFFIY-UHFFFAOYSA-N	-1	0	395.796	0.948	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000564457682	530350755	/nfs/dbraw/zinc/35/07/55/530350755.db2.gz	IYKHLOIGWKSBGI-MYODQAERSA-N	-1	0	376.412	0.363	20	5		GCBDRM
CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000565027724	530351439	/nfs/dbraw/zinc/35/14/39/530351439.db2.gz	ZPCSCSVQGAICFQ-QMMMGPOBSA-N	-1	0	377.806	0.965	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000568006540	530478770	/nfs/dbraw/zinc/47/87/70/530478770.db2.gz	HUPWTAYRXMZZMM-OIFKANJSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000569130187	530496024	/nfs/dbraw/zinc/49/60/24/530496024.db2.gz	STHOXEBKNRUHEH-SNVBAGLBSA-N	-1	0	392.411	0.409	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000571407453	530507355	/nfs/dbraw/zinc/50/73/55/530507355.db2.gz	AAFRVMMCULNXNM-OIFKANJSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000574573075	530515761	/nfs/dbraw/zinc/51/57/61/530515761.db2.gz	XKXOOSHXUALYMV-RDDDGLTNSA-N	-1	0	378.334	0.511	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1	ZINC000573683084	530525305	/nfs/dbraw/zinc/52/53/05/530525305.db2.gz	RSMDHTUSOFRBEE-RULNZOCKSA-N	-1	0	376.412	0.418	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000519535322	530598414	/nfs/dbraw/zinc/59/84/14/530598414.db2.gz	ABWARDAGOZKDQO-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
CC(C)(CCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000414393485	530599490	/nfs/dbraw/zinc/59/94/90/530599490.db2.gz	NYMAXWCIUHWRSL-UHFFFAOYSA-N	-1	0	394.427	0.785	20	5		GCBDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274916741	530699871	/nfs/dbraw/zinc/69/98/71/530699871.db2.gz	LVQHSFORQIZPCE-ANLVUFKYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000485924142	530744834	/nfs/dbraw/zinc/74/48/34/530744834.db2.gz	JPNCLGRBTJDRCU-AAEUAGOBSA-N	-1	0	378.378	0.833	20	5		GCBDRM
Cc1cc(S(N)(=O)=O)ccc1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000618374506	530767178	/nfs/dbraw/zinc/76/71/78/530767178.db2.gz	BEVDDEUKHASXKI-UHFFFAOYSA-N	-1	0	386.411	0.424	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000593305111	530799294	/nfs/dbraw/zinc/79/92/94/530799294.db2.gz	CDLMVOTYMYZTNI-MRVPVSSYSA-N	-1	0	378.384	0.006	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000593305112	530799472	/nfs/dbraw/zinc/79/94/72/530799472.db2.gz	CDLMVOTYMYZTNI-QMMMGPOBSA-N	-1	0	378.384	0.006	20	5		GCBDRM
CC(C)(CCNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])S(C)(=O)=O	ZINC000521630320	530849785	/nfs/dbraw/zinc/84/97/85/530849785.db2.gz	FYWUKWDRFFMLPK-UHFFFAOYSA-N	-1	0	394.427	0.785	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])n1	ZINC000594576119	530870065	/nfs/dbraw/zinc/87/00/65/530870065.db2.gz	YEDLURYCLRWTJG-BQBZGAKWSA-N	-1	0	386.308	0.695	20	5		GCBDRM
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000274984433	530904291	/nfs/dbraw/zinc/90/42/91/530904291.db2.gz	YFTCKEFALNRKCK-CDUCUWFYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000274984459	530905369	/nfs/dbraw/zinc/90/53/69/530905369.db2.gz	YFTCKEFALNRKCK-SSDLBLMSSA-N	-1	0	383.176	0.470	20	5		GCBDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274916748	530905597	/nfs/dbraw/zinc/90/55/97/530905597.db2.gz	LVQHSFORQIZPCE-SSDLBLMSSA-N	-1	0	383.176	0.470	20	5		GCBDRM
O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000274956361	530906562	/nfs/dbraw/zinc/90/65/62/530906562.db2.gz	UGOQNMIOFSQORB-QMMMGPOBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000275135137	530906771	/nfs/dbraw/zinc/90/67/71/530906771.db2.gz	PQMWMJXPEUGJEU-SNVBAGLBSA-N	-1	0	392.411	0.166	20	5		GCBDRM
O=C([O-])CN(CCO)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000275221575	530907003	/nfs/dbraw/zinc/90/70/03/530907003.db2.gz	DLLUZAUDPPOOOK-UHFFFAOYSA-N	-1	0	383.176	0.425	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275305470	530907914	/nfs/dbraw/zinc/90/79/14/530907914.db2.gz	QXKTXBNMUOUCAB-QMMMGPOBSA-N	-1	0	380.762	0.933	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000275370956	530908522	/nfs/dbraw/zinc/90/85/22/530908522.db2.gz	WGBRFSWWLKBKNT-LHLIQPBNSA-N	-1	0	395.187	0.566	20	5		GCBDRM
CO[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000548540196	530880708	/nfs/dbraw/zinc/88/07/08/530880708.db2.gz	DDICDNIXCXUSIY-QMMMGPOBSA-N	-1	0	383.176	0.735	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000548556526	530881829	/nfs/dbraw/zinc/88/18/29/530881829.db2.gz	NLTTUGRWJUJYCP-QMMMGPOBSA-N	-1	0	391.789	0.460	20	5		GCBDRM
O=C([O-])[C@@]1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1	ZINC000619709024	530882602	/nfs/dbraw/zinc/88/26/02/530882602.db2.gz	QCPHQJNLJKXHIL-LLVKDONJSA-N	-1	0	395.187	0.879	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1C	ZINC000548585825	530883406	/nfs/dbraw/zinc/88/34/06/530883406.db2.gz	MQBKCLCEZFFLPN-QVQLBTGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000548573630	530883433	/nfs/dbraw/zinc/88/34/33/530883433.db2.gz	NDTJTNOIMCBMTM-VXNVDRBHSA-N	-1	0	377.400	0.304	20	5		GCBDRM
O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548585858	530883436	/nfs/dbraw/zinc/88/34/36/530883436.db2.gz	QKQNWMGGOYGORP-PVBMHHQDSA-N	-1	0	382.803	0.454	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])n1	ZINC000548596639	530884292	/nfs/dbraw/zinc/88/42/92/530884292.db2.gz	QEDBWKYSKSXDHO-JTQLQIEISA-N	-1	0	376.391	0.359	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000275173196	530887569	/nfs/dbraw/zinc/88/75/69/530887569.db2.gz	VSAMUFZWSHKGHV-JTQLQIEISA-N	-1	0	395.187	0.831	20	5		GCBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424249106	530888743	/nfs/dbraw/zinc/88/87/43/530888743.db2.gz	SULOOEPVKCFZFE-JOYOIKCWSA-N	-1	0	388.423	0.786	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424363638	530888835	/nfs/dbraw/zinc/88/88/35/530888835.db2.gz	BTIJIQQSNXWRAC-VIFPVBQESA-N	-1	0	398.802	0.121	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1(=O)=O	ZINC000424364869	530889540	/nfs/dbraw/zinc/88/95/40/530889540.db2.gz	FJVAZDHJWOQEKI-SNVBAGLBSA-N	-1	0	398.802	0.121	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000372471078	530891576	/nfs/dbraw/zinc/89/15/76/530891576.db2.gz	HFAKAETUYUVDDG-APPZFPTMSA-N	-1	0	384.288	0.822	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000372471079	530891816	/nfs/dbraw/zinc/89/18/16/530891816.db2.gz	HFAKAETUYUVDDG-CBAPKCEASA-N	-1	0	384.288	0.822	20	5		GCBDRM
O=C([O-])[C@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1	ZINC000374448518	530895363	/nfs/dbraw/zinc/89/53/63/530895363.db2.gz	ZGQXMGXINFHNKW-NSHDSACASA-N	-1	0	395.187	0.879	20	5		GCBDRM
CCS(=O)(=O)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000596091025	530930782	/nfs/dbraw/zinc/93/07/82/530930782.db2.gz	FBDCCUVBEXAOGX-UHFFFAOYSA-N	-1	0	392.411	0.539	20	5		GCBDRM
Cc1nc(CN([C@H](C)C(=O)[O-])S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cs1	ZINC000600655143	530931338	/nfs/dbraw/zinc/93/13/38/530931338.db2.gz	JNKQYQXOBNMVQV-SSDOTTSWSA-N	-1	0	389.415	0.757	20	5		GCBDRM
COc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1S(C)(=O)=O	ZINC000600653340	530931415	/nfs/dbraw/zinc/93/14/15/530931415.db2.gz	HAYFJWRQYQVLGL-UHFFFAOYSA-N	-1	0	390.399	0.541	20	5		GCBDRM
CCc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1S(N)(=O)=O	ZINC000600646724	530931522	/nfs/dbraw/zinc/93/15/22/530931522.db2.gz	NXGIDAAFDSWGNS-UHFFFAOYSA-N	-1	0	389.415	0.339	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3c(s2)C(=O)NC(C)(C)C3)n1	ZINC000600669287	530932056	/nfs/dbraw/zinc/93/20/56/530932056.db2.gz	YDUNJJSVOKSQLP-UHFFFAOYSA-N	-1	0	386.415	0.650	20	5		GCBDRM
CCC(=O)C[C@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277303830	530913314	/nfs/dbraw/zinc/91/33/14/530913314.db2.gz	SHMAFWUJGAWNLS-JTQLQIEISA-N	-1	0	378.334	0.843	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000520589838	530916236	/nfs/dbraw/zinc/91/62/36/530916236.db2.gz	JLRBCOSIVYNRGG-SECBINFHSA-N	-1	0	392.411	0.396	20	5		GCBDRM
CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000281233347	530922013	/nfs/dbraw/zinc/92/20/13/530922013.db2.gz	SGEVOUWVCVNOCW-UHFFFAOYSA-N	-1	0	389.814	0.605	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000281992494	530922610	/nfs/dbraw/zinc/92/26/10/530922610.db2.gz	HCXYARBBUMGWNU-UHFFFAOYSA-N	-1	0	394.203	0.553	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000596023151	530927343	/nfs/dbraw/zinc/92/73/43/530927343.db2.gz	KEKYBWGBWCHEJQ-SECBINFHSA-N	-1	0	387.399	0.522	20	5		GCBDRM
CS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1	ZINC000299647592	530928368	/nfs/dbraw/zinc/92/83/68/530928368.db2.gz	RRWPVDZXNMSSTN-UHFFFAOYSA-N	-1	0	395.434	0.684	20	5		GCBDRM
CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603776790	530936940	/nfs/dbraw/zinc/93/69/40/530936940.db2.gz	VSKYDRYMCFJHIL-JTQLQIEISA-N	-1	0	378.428	0.888	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000262450731	530997908	/nfs/dbraw/zinc/99/79/08/530997908.db2.gz	QXAGWXQDKZAEHN-MRVPVSSYSA-N	-1	0	393.805	0.848	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1C	ZINC000547930633	531020769	/nfs/dbraw/zinc/02/07/69/531020769.db2.gz	YLPNUBLSEAYYQD-BGJPBQGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
O=C([O-])COCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000547933602	531020809	/nfs/dbraw/zinc/02/08/09/531020809.db2.gz	YKZZCUPRHHESFO-UHFFFAOYSA-N	-1	0	383.176	0.737	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1C	ZINC000547930634	531020865	/nfs/dbraw/zinc/02/08/65/531020865.db2.gz	YLPNUBLSEAYYQD-BSNNYGBQSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1C	ZINC000547930586	531020872	/nfs/dbraw/zinc/02/08/72/531020872.db2.gz	TUZZGSARVPMEDC-BGJPBQGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cncc(OCC(F)(F)F)n2)n1	ZINC000600667926	531092772	/nfs/dbraw/zinc/09/27/72/531092772.db2.gz	GERQNWJDCHLFKW-UHFFFAOYSA-N	-1	0	382.280	0.860	20	5		GCBDRM
O=C([O-])[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000058828266	205178737	/nfs/dbraw/zinc/17/87/37/205178737.db2.gz	IOITYCUAEMXYAG-NSHDSACASA-N	-1	0	385.398	0.586	20	5		GCBDRM
COCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1	ZINC000737015779	599042232	/nfs/dbraw/zinc/04/22/32/599042232.db2.gz	DZIHMNISYRDBRZ-UHFFFAOYSA-N	-1	0	394.373	0.419	20	5		GCBDRM
O=C([O-])C1(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000499169698	597037852	/nfs/dbraw/zinc/03/78/52/597037852.db2.gz	OKXALOLMMOMIKC-UHFFFAOYSA-N	-1	0	385.398	0.777	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2[N+](=O)[O-])CC1	ZINC000261877675	597501035	/nfs/dbraw/zinc/50/10/35/597501035.db2.gz	RIRDQIKTNICTCS-AWEZNQCLSA-N	-1	0	390.396	0.810	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2[N+](=O)[O-])CC1	ZINC000261877678	597501037	/nfs/dbraw/zinc/50/10/37/597501037.db2.gz	RIRDQIKTNICTCS-CQSZACIVSA-N	-1	0	390.396	0.810	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000275161438	597699420	/nfs/dbraw/zinc/69/94/20/597699420.db2.gz	UBWXOCKAJBUDNK-SECBINFHSA-N	-1	0	389.386	0.203	20	5		GCBDRM
CCS(=O)(=O)NCCNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737226787	599707491	/nfs/dbraw/zinc/70/74/91/599707491.db2.gz	TWXZKBLPDLMIFX-SECBINFHSA-N	-1	0	388.402	0.149	20	5		GCBDRM
O=C([O-])NCCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000739942303	599741413	/nfs/dbraw/zinc/74/14/13/599741413.db2.gz	OZDVJGSCQGSLPF-UHFFFAOYSA-N	-1	0	386.386	0.085	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)NC[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000594459499	599778062	/nfs/dbraw/zinc/77/80/62/599778062.db2.gz	AWPVSAYYBYRWKX-NSHDSACASA-N	-1	0	378.385	0.714	20	5		GCBDRM
C[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])[C@H](C)N1CCOCC1	ZINC000736672000	599778745	/nfs/dbraw/zinc/77/87/45/599778745.db2.gz	OGSAEQJNYAVSHZ-NEPJUHHUSA-N	-1	0	380.401	0.930	20	5		GCBDRM
C[C@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000594461256	599781305	/nfs/dbraw/zinc/78/13/05/599781305.db2.gz	ZBEYRCBNMGWFJF-NEPJUHHUSA-N	-1	0	399.425	0.832	20	5		GCBDRM
Cc1cc(=O)c(C(=O)NCCSCC(=O)[O-])nn1-c1ccccc1[N+](=O)[O-]	ZINC000262426820	599891582	/nfs/dbraw/zinc/89/15/82/599891582.db2.gz	REAYSPNIHCRPMP-UHFFFAOYSA-N	-1	0	392.393	0.997	20	5		GCBDRM
CCc1nc2n(n1)C[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000737284113	599967661	/nfs/dbraw/zinc/96/76/61/599967661.db2.gz	MFQOVSCRBMXMSZ-NSHDSACASA-N	-1	0	388.384	0.990	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	ZINC000737612281	600008457	/nfs/dbraw/zinc/00/84/57/600008457.db2.gz	HQWDQGRZDPRBBO-UHFFFAOYSA-N	-1	0	377.313	0.184	20	5		GCBDRM
Cc1cc(C(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c(C)n1-c1nc[nH]n1	ZINC000738320018	600026594	/nfs/dbraw/zinc/02/65/94/600026594.db2.gz	MLXOLUBDTDTNFM-UHFFFAOYSA-N	-1	0	386.324	0.863	20	5		GCBDRM
O=C([O-])C1CCC(NC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739384278	600026789	/nfs/dbraw/zinc/02/67/89/600026789.db2.gz	NTUKKEIHHAMFDM-VHMBPLKRSA-N	-1	0	381.385	0.932	20	5		GCBDRM
O=C([O-])C1CCC(NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739384268	600027069	/nfs/dbraw/zinc/02/70/69/600027069.db2.gz	NTUKKEIHHAMFDM-BBNOBNGHSA-N	-1	0	381.385	0.932	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000262633933	600059580	/nfs/dbraw/zinc/05/95/80/600059580.db2.gz	OXXFDNVHRLVBTN-GHMZBOCLSA-N	-1	0	383.382	0.148	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000737879060	600068610	/nfs/dbraw/zinc/06/86/10/600068610.db2.gz	OODKJOLRBGLHCB-UHFFFAOYSA-N	-1	0	378.297	0.715	20	5		GCBDRM
CC(C)NC(=O)CN1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736477108	600075056	/nfs/dbraw/zinc/07/50/56/600075056.db2.gz	FLUZNVPMFSVDEW-UHFFFAOYSA-N	-1	0	395.372	0.848	20	5		GCBDRM
CC(C)(CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])NS(C)(=O)=O	ZINC000736325159	600076005	/nfs/dbraw/zinc/07/60/05/600076005.db2.gz	YAAVGIVRUVNLHI-UHFFFAOYSA-N	-1	0	388.402	0.149	20	5		GCBDRM
O=C([O-])Cn1ncc2c1ncn(C[C@H](O)COc1cccc([N+](=O)[O-])c1)c2=O	ZINC000739920622	600086536	/nfs/dbraw/zinc/08/65/36/600086536.db2.gz	NIHSZOGXZXEOJA-NSHDSACASA-N	-1	0	389.324	0.026	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000262599152	600102959	/nfs/dbraw/zinc/10/29/59/600102959.db2.gz	JLLOUXXMTUJXFD-STQMWFEESA-N	-1	0	383.382	0.148	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000262173098	600126029	/nfs/dbraw/zinc/12/60/29/600126029.db2.gz	VKVOEKRWEDSNJX-GFCCVEGCSA-N	-1	0	399.425	0.917	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000738478631	600161866	/nfs/dbraw/zinc/16/18/66/600161866.db2.gz	IFYRODXCQJGZOM-UHFFFAOYSA-N	-1	0	387.414	0.311	20	5		GCBDRM
CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-]	ZINC000737319901	600171991	/nfs/dbraw/zinc/17/19/91/600171991.db2.gz	SAPUHOXGTPDTAK-UHFFFAOYSA-N	-1	0	388.402	0.366	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000739791941	600173623	/nfs/dbraw/zinc/17/36/23/600173623.db2.gz	REVCJMQDUNPHOV-UHFFFAOYSA-N	-1	0	377.357	0.330	20	5		GCBDRM
Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cnc21	ZINC000738997840	600189258	/nfs/dbraw/zinc/18/92/58/600189258.db2.gz	JRJBAONQBRCFOT-UHFFFAOYSA-N	-1	0	385.292	0.893	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)cc([N+](=O)[O-])c1	ZINC000738672857	600192975	/nfs/dbraw/zinc/19/29/75/600192975.db2.gz	LIIZLYKMZSNLTR-UHFFFAOYSA-N	-1	0	397.351	0.693	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000596004100	600197648	/nfs/dbraw/zinc/19/76/48/600197648.db2.gz	UXEHVUDVKDOPGT-SECBINFHSA-N	-1	0	393.381	1.181	20	5		GCBDRM
O=C([O-])CCSCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000739745132	600255670	/nfs/dbraw/zinc/25/56/70/600255670.db2.gz	PZLQINZCKVVSPC-UHFFFAOYSA-N	-1	0	381.366	0.515	20	5		GCBDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000737564463	600304095	/nfs/dbraw/zinc/30/40/95/600304095.db2.gz	HELJCBQXPHEFRI-QMMMGPOBSA-N	-1	0	387.732	0.111	20	5		GCBDRM
Cc1[nH]nc(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1C(=O)[O-]	ZINC000738829239	600340407	/nfs/dbraw/zinc/34/04/07/600340407.db2.gz	NLKQJSBAWZOQDW-UHFFFAOYSA-N	-1	0	395.397	0.835	20	5		GCBDRM
COCCN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O	ZINC000262366849	600382026	/nfs/dbraw/zinc/38/20/26/600382026.db2.gz	FJRIGATVZIQLCS-UHFFFAOYSA-N	-1	0	390.352	0.622	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000738305844	600442221	/nfs/dbraw/zinc/44/22/21/600442221.db2.gz	RGHMHCMCJJKISA-UHFFFAOYSA-N	-1	0	396.356	0.670	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000739792618	600460649	/nfs/dbraw/zinc/46/06/49/600460649.db2.gz	XDMCPFDHZBGRCI-UHFFFAOYSA-N	-1	0	391.384	0.864	20	5		GCBDRM
C[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000594459514	600537163	/nfs/dbraw/zinc/53/71/63/600537163.db2.gz	BSBCYWHVKRYUKF-MFKMUULPSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CCOC(=O)C(=O)N1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000737128882	600537755	/nfs/dbraw/zinc/53/77/55/600537755.db2.gz	CYPXAOPZJSYKNP-UHFFFAOYSA-N	-1	0	379.325	0.141	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)CSCC(=O)N2CCOCC2)cc([N+](=O)[O-])c1	ZINC000739338121	600542454	/nfs/dbraw/zinc/54/24/54/600542454.db2.gz	SNGSXDMLOOJYCE-UHFFFAOYSA-N	-1	0	383.382	0.824	20	5		GCBDRM
C[C@@H](CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263079638	600544145	/nfs/dbraw/zinc/54/41/45/600544145.db2.gz	BDFCFFUWVMRPDO-FZMZJTMJSA-N	-1	0	399.425	0.927	20	5		GCBDRM
CC(C)N(CCC(=O)[O-])C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262355794	600596259	/nfs/dbraw/zinc/59/62/59/600596259.db2.gz	BWXBHGNBWQZDIH-UHFFFAOYSA-N	-1	0	387.414	0.975	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657960	600624923	/nfs/dbraw/zinc/62/49/23/600624923.db2.gz	WOJGLPSCHLKLGE-DGCLKSJQSA-N	-1	0	381.385	0.775	20	5		GCBDRM
O=C([O-])Cn1cc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1	ZINC000584760434	600689713	/nfs/dbraw/zinc/68/97/13/600689713.db2.gz	UHRKUAOWNDSJCI-UHFFFAOYSA-N	-1	0	395.397	0.387	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704302	600820987	/nfs/dbraw/zinc/82/09/87/600820987.db2.gz	XEUUKRLHERKWJH-GXTWGEPZSA-N	-1	0	392.412	0.709	20	5		GCBDRM
C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC000828202002	600825689	/nfs/dbraw/zinc/82/56/89/600825689.db2.gz	ZRMOXFMHINRSPU-IRUJWGPZSA-N	-1	0	376.369	0.830	20	5		GCBDRM
O=C([O-])[C@H]1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000272445028	600909700	/nfs/dbraw/zinc/90/97/00/600909700.db2.gz	FJVZWEDBFVPVPL-RYUDHWBXSA-N	-1	0	399.425	0.880	20	5		GCBDRM
Cc1c(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832848908	600923619	/nfs/dbraw/zinc/92/36/19/600923619.db2.gz	QUOQAVDQCUMNBZ-QMMMGPOBSA-N	-1	0	385.398	0.876	20	5		GCBDRM
CCC(CC)(NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000828828916	600927603	/nfs/dbraw/zinc/92/76/03/600927603.db2.gz	HIYXEMFDVPSKHF-UHFFFAOYSA-N	-1	0	387.414	0.975	20	5		GCBDRM
COC(=O)c1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1C(=O)[O-]	ZINC000831275790	600942925	/nfs/dbraw/zinc/94/29/25/600942925.db2.gz	CSTPBNUPVFBQQQ-UHFFFAOYSA-N	-1	0	375.293	0.880	20	5		GCBDRM
Cc1c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832850487	600952958	/nfs/dbraw/zinc/95/29/58/600952958.db2.gz	RPRVHDQCKUDCMJ-GFCCVEGCSA-N	-1	0	397.409	0.878	20	5		GCBDRM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000833184092	600958026	/nfs/dbraw/zinc/95/80/26/600958026.db2.gz	NUPCILUNVLOVJV-VXGBXAGGSA-N	-1	0	399.425	0.880	20	5		GCBDRM
COc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000737844283	601017741	/nfs/dbraw/zinc/01/77/41/601017741.db2.gz	KBLFEKBBHHSTHP-UHFFFAOYSA-N	-1	0	397.384	0.471	20	5		GCBDRM
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)NCC(=O)[O-]	ZINC000827844157	601072610	/nfs/dbraw/zinc/07/26/10/601072610.db2.gz	NONAFUGWSUOJGI-JTQLQIEISA-N	-1	0	381.341	0.178	20	5		GCBDRM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1	ZINC000600868179	601102562	/nfs/dbraw/zinc/10/25/62/601102562.db2.gz	GHZUQXYAGBHQGA-LBPRGKRZSA-N	-1	0	388.384	0.797	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC000832481756	601171200	/nfs/dbraw/zinc/17/12/00/601171200.db2.gz	PQJILQPRTCISEJ-NSHDSACASA-N	-1	0	394.384	0.549	20	5		GCBDRM
Cc1c(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cccc1[N+](=O)[O-]	ZINC000832856479	601172829	/nfs/dbraw/zinc/17/28/29/601172829.db2.gz	WAUMRKXUNXPNSN-LLVKDONJSA-N	-1	0	378.385	0.849	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc([N+](=O)[O-])c1	ZINC000600878536	601271925	/nfs/dbraw/zinc/27/19/25/601271925.db2.gz	XISJDACYCRTQHW-CQSZACIVSA-N	-1	0	377.353	0.803	20	5		GCBDRM
O=C([O-])CC1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOCC1	ZINC000262403762	601327751	/nfs/dbraw/zinc/32/77/51/601327751.db2.gz	AIFWQSNFORHXOF-UHFFFAOYSA-N	-1	0	393.352	0.460	20	5		GCBDRM
CCN1C(=O)[C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCN2C1=O	ZINC000829745974	601332412	/nfs/dbraw/zinc/33/24/12/601332412.db2.gz	VNYOIFDUNBJZIF-LBPRGKRZSA-N	-1	0	376.325	0.402	20	5		GCBDRM
CCN1C(=O)[C@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCN2C1=O	ZINC000829745972	601332415	/nfs/dbraw/zinc/33/24/15/601332415.db2.gz	VNYOIFDUNBJZIF-GFCCVEGCSA-N	-1	0	376.325	0.402	20	5		GCBDRM
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@@](F)(C(=O)[O-])C2)C1=O	ZINC000828122318	601370816	/nfs/dbraw/zinc/37/08/16/601370816.db2.gz	OMSPSGYYAXXSBS-HOTGVXAUSA-N	-1	0	380.332	0.818	20	5		GCBDRM
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@](F)(C(=O)[O-])C2)C1=O	ZINC000828122323	601370822	/nfs/dbraw/zinc/37/08/22/601370822.db2.gz	OMSPSGYYAXXSBS-JKSUJKDBSA-N	-1	0	380.332	0.818	20	5		GCBDRM
O=C([O-])C[C@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCO1	ZINC000833220188	601375351	/nfs/dbraw/zinc/37/53/51/601375351.db2.gz	UWBLTKKGRHCNBA-ZDUSSCGKSA-N	-1	0	378.341	0.496	20	5		GCBDRM
COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCO[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831060334	601382817	/nfs/dbraw/zinc/38/28/17/601382817.db2.gz	SHBFDJJSUXBJJH-ZYHUDNBSSA-N	-1	0	395.368	0.566	20	5		GCBDRM
CNS(=O)(=O)C[C@H]1CCCN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000831029607	601410722	/nfs/dbraw/zinc/41/07/22/601410722.db2.gz	YWDQXALPHIQFIP-MRVPVSSYSA-N	-1	0	388.358	0.719	20	5		GCBDRM
O=C([O-])CC1(CS(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1	ZINC000833201426	601506735	/nfs/dbraw/zinc/50/67/35/601506735.db2.gz	DTSYVAXGOVHZFD-UHFFFAOYSA-N	-1	0	384.414	0.697	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000823659557	601560531	/nfs/dbraw/zinc/56/05/31/601560531.db2.gz	GGHKAFCSCREKCC-HNNXBMFYSA-N	-1	0	378.385	0.029	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])C(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000831170573	601674345	/nfs/dbraw/zinc/67/43/45/601674345.db2.gz	QYAWUVQQCRSYGL-UHFFFAOYSA-N	-1	0	389.158	0.986	20	5		GCBDRM
O=C([O-])C1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)CC1	ZINC000833129797	601719329	/nfs/dbraw/zinc/71/93/29/601719329.db2.gz	ROYLNJWGOHRLJL-UHFFFAOYSA-N	-1	0	382.354	0.233	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832695413	601748868	/nfs/dbraw/zinc/74/88/68/601748868.db2.gz	PUSCGONTBDKGQS-NOZJJQNGSA-N	-1	0	385.398	0.741	20	5		GCBDRM
COc1cc(CCNS(=O)(=O)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000831983493	601773100	/nfs/dbraw/zinc/77/31/00/601773100.db2.gz	UZXOTZRDLSVCHY-SECBINFHSA-N	-1	0	376.387	0.795	20	5		GCBDRM
C[C@@H](CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC000827545640	601794217	/nfs/dbraw/zinc/79/42/17/601794217.db2.gz	BQJZDNWDIMBIJO-NSHDSACASA-N	-1	0	385.398	0.403	20	5		GCBDRM
COC[C@@](C)(NC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)[O-]	ZINC000831597455	601820024	/nfs/dbraw/zinc/82/00/24/601820024.db2.gz	UXBQROVTIIGSLZ-ZKANADHPSA-N	-1	0	379.325	0.185	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000449143054	602031314	/nfs/dbraw/zinc/03/13/14/602031314.db2.gz	HIOVKCVMUATBED-OAHLLOKOSA-N	-1	0	385.398	0.586	20	5		GCBDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000827263855	602076290	/nfs/dbraw/zinc/07/62/90/602076290.db2.gz	UZOWIMOIPJJDJB-LLVKDONJSA-N	-1	0	399.425	0.758	20	5		GCBDRM
CN(C)C(=O)CCN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000830547178	602271579	/nfs/dbraw/zinc/27/15/79/602271579.db2.gz	JEXJXTBZNQBVOA-UHFFFAOYSA-N	-1	0	378.385	0.529	20	5		GCBDRM
Cn1c(=O)c(-c2nnn[n-]2)c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)c1=O	ZINC000826355668	607562310	/nfs/dbraw/zinc/56/23/10/607562310.db2.gz	IZLLKDMGKWTRHC-UHFFFAOYSA-N	-1	0	398.383	0.341	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1-c1nnn[n-]1	ZINC000826500441	607589743	/nfs/dbraw/zinc/58/97/43/607589743.db2.gz	YLMHBKVAAMMJGE-JTQLQIEISA-N	-1	0	394.413	0.965	20	5		GCBDRM
Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)n1	ZINC000826298430	607592758	/nfs/dbraw/zinc/59/27/58/607592758.db2.gz	RUWPKYGUMXYRNR-UHFFFAOYSA-N	-1	0	375.370	0.957	20	5		GCBDRM
CCN(C[C@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825418334	607595121	/nfs/dbraw/zinc/59/51/21/607595121.db2.gz	ZXUDEFPQLPFZHX-SNVBAGLBSA-N	-1	0	382.402	0.965	20	5		GCBDRM
CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825443469	607597711	/nfs/dbraw/zinc/59/77/11/607597711.db2.gz	CDQMYSRBBZLTAE-UHFFFAOYSA-N	-1	0	392.401	0.719	20	5		GCBDRM
CC(C)(C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824093441	607605812	/nfs/dbraw/zinc/60/58/12/607605812.db2.gz	IFTDOPWTBBGVQD-UHFFFAOYSA-N	-1	0	397.417	0.358	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@@H]2CCCO2)c1-c1nnn[n-]1	ZINC000826500323	607617927	/nfs/dbraw/zinc/61/79/27/607617927.db2.gz	UENWYSQNZFYEJA-JTQLQIEISA-N	-1	0	398.401	0.249	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccccc2)c1-c1nnn[n-]1	ZINC000826500162	607623598	/nfs/dbraw/zinc/62/35/98/607623598.db2.gz	NJIHFDNKAALHNA-LBPRGKRZSA-N	-1	0	390.381	0.787	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1-c1nnn[n-]1	ZINC000826500134	607624332	/nfs/dbraw/zinc/62/43/32/607624332.db2.gz	MIOQTCSVAAZESL-LLVKDONJSA-N	-1	0	390.381	0.787	20	5		GCBDRM
Cc1ccc([C@H](O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)o1	ZINC000826284254	607644119	/nfs/dbraw/zinc/64/41/19/607644119.db2.gz	NYBUBQIMDPCJSB-SNVBAGLBSA-N	-1	0	394.369	0.688	20	5		GCBDRM
Cn1cc(C(C)(C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cn1	ZINC000826359120	607647514	/nfs/dbraw/zinc/64/75/14/607647514.db2.gz	WMOWEWBHGVGSQU-UHFFFAOYSA-N	-1	0	392.401	0.722	20	5		GCBDRM
CCC1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000825176449	607650498	/nfs/dbraw/zinc/65/04/98/607650498.db2.gz	TVVYDCLSLJNSHR-UHFFFAOYSA-N	-1	0	382.402	0.701	20	5		GCBDRM
C[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCC[C@H]1O	ZINC000824823725	607660740	/nfs/dbraw/zinc/66/07/40/607660740.db2.gz	OENXXYDGXZNHIS-IUODEOHRSA-N	-1	0	396.429	0.994	20	5		GCBDRM
COC(=O)CN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826138489	607665806	/nfs/dbraw/zinc/66/58/06/607665806.db2.gz	WUFHEUYFLVVPEE-UHFFFAOYSA-N	-1	0	382.358	0.101	20	5		GCBDRM
Cn1cnc2c1CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C2	ZINC000826364695	607666081	/nfs/dbraw/zinc/66/60/81/607666081.db2.gz	GSFAHLCOWIWFBT-UHFFFAOYSA-N	-1	0	390.385	0.255	20	5		GCBDRM
CO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1(C)C	ZINC000826144509	607667241	/nfs/dbraw/zinc/66/72/41/607667241.db2.gz	LOOJGDJZLZWMRY-GHMZBOCLSA-N	-1	0	382.402	0.867	20	5		GCBDRM
CCC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000825034905	607673262	/nfs/dbraw/zinc/67/32/62/607673262.db2.gz	TXSKBCUILVJMKT-SECBINFHSA-N	-1	0	395.401	0.064	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCc3c[nH]nc3C2)c1-c1nnn[n-]1	ZINC000826500181	607671544	/nfs/dbraw/zinc/67/15/44/607671544.db2.gz	NVHWFLPHGDHBHT-SECBINFHSA-N	-1	0	390.385	0.334	20	5		GCBDRM
CNS(=O)(=O)c1ccc(N(CCC(=O)[O-])C[C@H]2CCCO2)c([N+](=O)[O-])c1	ZINC000831038327	604350804	/nfs/dbraw/zinc/35/08/04/604350804.db2.gz	MQADYBNGYHNOAE-LLVKDONJSA-N	-1	0	387.414	0.963	20	5		GCBDRM
O=C([O-])CCOc1ccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000833239625	604365039	/nfs/dbraw/zinc/36/50/39/604365039.db2.gz	SRBUFFQTDGOSBW-UHFFFAOYSA-N	-1	0	384.370	0.623	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000831175647	604407211	/nfs/dbraw/zinc/40/72/11/604407211.db2.gz	PUEHEDSVEDRWFN-UHFFFAOYSA-N	-1	0	380.762	0.805	20	5		GCBDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000827007318	604442483	/nfs/dbraw/zinc/44/24/83/604442483.db2.gz	YCEDXOUGPVSMHV-ZDUSSCGKSA-N	-1	0	388.398	0.949	20	5		GCBDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000827007317	604442497	/nfs/dbraw/zinc/44/24/97/604442497.db2.gz	YCEDXOUGPVSMHV-CYBMUJFWSA-N	-1	0	388.398	0.949	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(NC3CN(C(=O)[O-])C3)c([N+](=O)[O-])c2)CC1	ZINC000830960123	604637710	/nfs/dbraw/zinc/63/77/10/604637710.db2.gz	GZCWWHVXIMZIQF-UHFFFAOYSA-N	-1	0	399.429	0.305	20	5		GCBDRM
O=C([O-])Cn1cc(CCOC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nn1	ZINC000833269065	604701250	/nfs/dbraw/zinc/70/12/50/604701250.db2.gz	FLTBTYVOOJACIQ-UHFFFAOYSA-N	-1	0	386.324	0.856	20	5		GCBDRM
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCc2cn(CC(=O)[O-])nn2)C1=O	ZINC000828121440	604777983	/nfs/dbraw/zinc/77/79/83/604777983.db2.gz	IDFDUMCDKVVYMW-INIZCTEOSA-N	-1	0	388.340	0.281	20	5		GCBDRM
CN(C(=O)COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1C(=O)[O-]	ZINC000833686232	604937773	/nfs/dbraw/zinc/93/77/73/604937773.db2.gz	RNHUWPXOEMINII-UHFFFAOYSA-N	-1	0	389.320	0.661	20	5		GCBDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000833740311	604957447	/nfs/dbraw/zinc/95/74/47/604957447.db2.gz	HVVSHCVHULINCU-NSHDSACASA-N	-1	0	380.357	0.443	20	5		GCBDRM
CCn1cc(S(=O)(=O)N(C)c2nc(CC(=O)[O-])cs2)c([N+](=O)[O-])n1	ZINC000833682451	605053146	/nfs/dbraw/zinc/05/31/46/605053146.db2.gz	YHWCSKFOFIHBLO-UHFFFAOYSA-N	-1	0	375.388	0.720	20	5		GCBDRM
CC(C)(CC(=O)[O-])CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000833453348	605107783	/nfs/dbraw/zinc/10/77/83/605107783.db2.gz	NKXIMFADCPGOSV-UHFFFAOYSA-N	-1	0	387.414	0.880	20	5		GCBDRM
C[C@@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000833403298	605140492	/nfs/dbraw/zinc/14/04/92/605140492.db2.gz	HPKYKYXTRUTLQE-XYZCENFISA-N	-1	0	375.337	0.903	20	5		GCBDRM
C[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000833403296	605140500	/nfs/dbraw/zinc/14/05/00/605140500.db2.gz	HPKYKYXTRUTLQE-VVVCHXIZSA-N	-1	0	375.337	0.903	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000833492104	605267254	/nfs/dbraw/zinc/26/72/54/605267254.db2.gz	IAVQLEFJUFMWMG-ZDUSSCGKSA-N	-1	0	387.414	0.630	20	5		GCBDRM
CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000567796428	605388298	/nfs/dbraw/zinc/38/82/98/605388298.db2.gz	BINAVZIPNKJAKR-UHFFFAOYSA-N	-1	0	386.386	0.329	20	5		GCBDRM
CC(=O)N1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000833391897	605393141	/nfs/dbraw/zinc/39/31/41/605393141.db2.gz	WPBCDWLOSRKDRL-UHFFFAOYSA-N	-1	0	385.398	0.830	20	5		GCBDRM
C[C@H]([C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCOCC1	ZINC000833522794	605394234	/nfs/dbraw/zinc/39/42/34/605394234.db2.gz	FTKFQTLKUNNVIQ-WDEREUQCSA-N	-1	0	387.414	0.681	20	5		GCBDRM
COCCN1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833724801	605395990	/nfs/dbraw/zinc/39/59/90/605395990.db2.gz	SIKXHJUVZHKSSQ-NSHDSACASA-N	-1	0	387.414	0.682	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1N1CCOCC1	ZINC000833631500	605399494	/nfs/dbraw/zinc/39/94/94/605399494.db2.gz	PJWDGKAVRMZQMI-SMDDNHRTSA-N	-1	0	399.425	0.634	20	5		GCBDRM
CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833691440	605402653	/nfs/dbraw/zinc/40/26/53/605402653.db2.gz	BMNZPROWLSJSIH-UHFFFAOYSA-N	-1	0	394.427	0.737	20	5		GCBDRM
O=C([O-])c1cn(C2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C2)nn1	ZINC000799244341	605543627	/nfs/dbraw/zinc/54/36/27/605543627.db2.gz	QDNXGLJQGYRZLN-UHFFFAOYSA-N	-1	0	383.324	0.767	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C(=O)[O-])C1	ZINC000833708898	605646901	/nfs/dbraw/zinc/64/69/01/605646901.db2.gz	KJWFDYUFYOMDMK-RNCFNFMXSA-N	-1	0	384.316	0.978	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC000833708744	605647298	/nfs/dbraw/zinc/64/72/98/605647298.db2.gz	RJVSNTZRYBZHFD-ZANVPECISA-N	-1	0	384.316	0.978	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000822622360	606710165	/nfs/dbraw/zinc/71/01/65/606710165.db2.gz	BWGZGHGZXBXULM-UHFFFAOYSA-N	-1	0	384.765	0.963	20	5		GCBDRM
CN(Cc1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821615968	606731140	/nfs/dbraw/zinc/73/11/40/606731140.db2.gz	WXEWGPJDSXKGIX-UHFFFAOYSA-N	-1	0	375.370	0.991	20	5		GCBDRM
C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000820750941	606734315	/nfs/dbraw/zinc/73/43/15/606734315.db2.gz	DOHGJNSWTFHZRM-QWRGUYRKSA-N	-1	0	395.445	0.736	20	5		GCBDRM
CN(CCN1CCCC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821601664	606734986	/nfs/dbraw/zinc/73/49/86/606734986.db2.gz	UBAOFJVKGBDPAW-UHFFFAOYSA-N	-1	0	395.401	0.018	20	5		GCBDRM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1	ZINC000823493386	607193795	/nfs/dbraw/zinc/19/37/95/607193795.db2.gz	MXXWSTVHFCBNTF-UHFFFAOYSA-N	-1	0	396.367	0.838	20	5		GCBDRM
CSc1[nH]c(=O)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1	ZINC000821978328	607228815	/nfs/dbraw/zinc/22/88/15/607228815.db2.gz	LQZQQGJAGNLOPE-UHFFFAOYSA-N	-1	0	391.373	0.224	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)c1-c1nnn[n-]1	ZINC000826500462	607938768	/nfs/dbraw/zinc/93/87/68/607938768.db2.gz	ZBRZCMCVIPPVQI-ZCFIWIBFSA-N	-1	0	396.307	0.367	20	5		GCBDRM
CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825486201	608127337	/nfs/dbraw/zinc/12/73/37/608127337.db2.gz	OAXNRXFDIINLDL-BDAKNGLRSA-N	-1	0	398.401	0.641	20	5		GCBDRM
CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826227303	608422491	/nfs/dbraw/zinc/42/24/91/608422491.db2.gz	OXVCDAOLMWKJRZ-IONNQARKSA-N	-1	0	388.431	0.166	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@@H](C)CN1C	ZINC000824991425	608563388	/nfs/dbraw/zinc/56/33/88/608563388.db2.gz	AWVBFZFHKUENRW-UWVGGRQHSA-N	-1	0	381.418	0.488	20	5		GCBDRM
Cc1nc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)no1	ZINC000826326070	609319040	/nfs/dbraw/zinc/31/90/40/609319040.db2.gz	YKPAONNJRRNZEW-UHFFFAOYSA-N	-1	0	380.346	0.287	20	5		GCBDRM
CN(C[C@H]1CCCC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825908535	609333848	/nfs/dbraw/zinc/33/38/48/609333848.db2.gz	JCDDTHOVONQTAA-PWSUYJOCSA-N	-1	0	396.429	0.947	20	5		GCBDRM
CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000825934305	609500649	/nfs/dbraw/zinc/50/06/49/609500649.db2.gz	MCAGXBMWVFKMNQ-UHFFFAOYSA-N	-1	0	387.360	0.491	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]NC(=S)NCCc2ccccn2)c1	ZINC000726120677	638670477	/nfs/dbraw/zinc/67/04/77/638670477.db2.gz	RRKXPVPZELCWPW-UHFFFAOYSA-N	-1	0	381.439	0.890	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)s2)c([N+](=O)[O-])c1	ZINC000728147959	639072004	/nfs/dbraw/zinc/07/20/04/639072004.db2.gz	QATHUKKYTHMUJF-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
C[C@](O)(CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000263514999	639168925	/nfs/dbraw/zinc/16/89/25/639168925.db2.gz	ZHKDAXLRALGBGK-JTQLQIEISA-N	-1	0	383.176	0.471	20	5		GCBDRM
C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000263513514	639169396	/nfs/dbraw/zinc/16/93/96/639169396.db2.gz	YSNXARPHHPNQEQ-SNVBAGLBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000730918318	639745768	/nfs/dbraw/zinc/74/57/68/639745768.db2.gz	AMEXVLKHZZGHEA-UHFFFAOYSA-N	-1	0	392.411	0.705	20	5		GCBDRM
CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000731285938	639760811	/nfs/dbraw/zinc/76/08/11/639760811.db2.gz	LTXRAMCXRSLUKL-UHFFFAOYSA-N	-1	0	384.819	0.878	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@]12CCC(=O)N1CCS2	ZINC000917446384	639852361	/nfs/dbraw/zinc/85/23/61/639852361.db2.gz	PJAFKPUSSXRIEO-CYBMUJFWSA-N	-1	0	389.386	0.604	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O	ZINC000918488352	639877346	/nfs/dbraw/zinc/87/73/46/639877346.db2.gz	UREYHRDGBBAOID-UHFFFAOYSA-N	-1	0	391.427	0.134	20	5		GCBDRM
COC(=O)CS(=O)(=O)[N-]C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1	ZINC000838805749	640190508	/nfs/dbraw/zinc/19/05/08/640190508.db2.gz	BWNBJJQPQJKLOM-UHFFFAOYSA-N	-1	0	392.411	0.456	20	5		GCBDRM
CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750757367	640366889	/nfs/dbraw/zinc/36/68/89/640366889.db2.gz	JKCOFUAPULESKD-UHFFFAOYSA-N	-1	0	386.415	0.759	20	5		GCBDRM
Cn1cccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)c1=O	ZINC000754679719	640457845	/nfs/dbraw/zinc/45/78/45/640457845.db2.gz	CUBQZZCZXXDCNW-UHFFFAOYSA-N	-1	0	386.773	0.648	20	5		GCBDRM
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000754680532	640458010	/nfs/dbraw/zinc/45/80/10/640458010.db2.gz	HNMFJJFGSZZJSY-UHFFFAOYSA-N	-1	0	392.821	0.942	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)OC)n1	ZINC000755741070	640474375	/nfs/dbraw/zinc/47/43/75/640474375.db2.gz	RSXYEZSSLRMCHT-UHFFFAOYSA-N	-1	0	388.383	0.778	20	5		GCBDRM
Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000756249246	640487705	/nfs/dbraw/zinc/48/77/05/640487705.db2.gz	CIYBQJSKHQUBFL-UHFFFAOYSA-N	-1	0	386.773	0.804	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)c([N+](=O)[O-])n1	ZINC000756939304	640497599	/nfs/dbraw/zinc/49/75/99/640497599.db2.gz	WIULTQZMYFUTCY-UHFFFAOYSA-N	-1	0	389.415	0.568	20	5		GCBDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000757332303	640507233	/nfs/dbraw/zinc/50/72/33/640507233.db2.gz	OSFAUJGLBZUJRZ-UHFFFAOYSA-N	-1	0	377.375	0.165	20	5		GCBDRM
COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000759271676	640545704	/nfs/dbraw/zinc/54/57/04/640545704.db2.gz	JWYLKBIWSDLKIF-UHFFFAOYSA-N	-1	0	379.778	0.158	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1	ZINC000759508744	640550909	/nfs/dbraw/zinc/55/09/09/640550909.db2.gz	JKLRBZQXYVXRIU-UHFFFAOYSA-N	-1	0	385.383	0.832	20	5		GCBDRM
CC1(Cn2cc(C(=O)[N-]S(=O)(=O)c3cc([N+](=O)[O-])cs3)nn2)COC1	ZINC000760215198	640565411	/nfs/dbraw/zinc/56/54/11/640565411.db2.gz	FDALFQIHKZQHFW-UHFFFAOYSA-N	-1	0	387.399	0.403	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)c2cc(C(N)=O)cs2)ccc1[N+](=O)[O-]	ZINC000761417182	640593647	/nfs/dbraw/zinc/59/36/47/640593647.db2.gz	LGYVSNBJNCCYND-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1=O	ZINC000767836634	640736048	/nfs/dbraw/zinc/73/60/48/640736048.db2.gz	HSLLVLAJHPEKRJ-UHFFFAOYSA-N	-1	0	393.175	0.445	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1=O	ZINC000767844032	640736753	/nfs/dbraw/zinc/73/67/53/640736753.db2.gz	RAODVVDDSIJQMO-UHFFFAOYSA-N	-1	0	393.175	0.445	20	5		GCBDRM
O=C1CN(c2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cn2)CCN1	ZINC000768857211	640763442	/nfs/dbraw/zinc/76/34/42/640763442.db2.gz	HIJNMEANLRDOFW-UHFFFAOYSA-N	-1	0	383.411	0.788	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)cc1[N+](=O)[O-]	ZINC000773945705	640873091	/nfs/dbraw/zinc/87/30/91/640873091.db2.gz	FSVITTXIFWWHCQ-SECBINFHSA-N	-1	0	375.790	0.840	20	5		GCBDRM
Cn1cnc(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1Cl	ZINC000776494073	641098068	/nfs/dbraw/zinc/09/80/68/641098068.db2.gz	YASHGQOCUQFXBS-JTQLQIEISA-N	-1	0	388.789	0.956	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000776715740	641114330	/nfs/dbraw/zinc/11/43/30/641114330.db2.gz	NITVBJALHDPQII-WYVULQQZSA-N	-1	0	380.375	0.249	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1	ZINC000776716148	641114419	/nfs/dbraw/zinc/11/44/19/641114419.db2.gz	SSMNWIZKPWSIMA-DTWKUNHWSA-N	-1	0	389.411	0.352	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-]	ZINC000776714855	641114438	/nfs/dbraw/zinc/11/44/38/641114438.db2.gz	JAUJVBYWMCEBEY-DJNLSKAYSA-N	-1	0	396.830	0.763	20	5		GCBDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000777362298	641130437	/nfs/dbraw/zinc/13/04/37/641130437.db2.gz	JUKBFSMLFCBMKX-UHFFFAOYSA-N	-1	0	385.379	0.886	20	5		GCBDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1Cl	ZINC000779199633	641181695	/nfs/dbraw/zinc/18/16/95/641181695.db2.gz	JLRHCCKTALNLGC-UHFFFAOYSA-N	-1	0	388.745	0.829	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)cc1[N+](=O)[O-]	ZINC000784817038	641294700	/nfs/dbraw/zinc/29/47/00/641294700.db2.gz	TVNCSNSOCWLIOD-JTQLQIEISA-N	-1	0	375.790	0.982	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000784835660	641295408	/nfs/dbraw/zinc/29/54/08/641295408.db2.gz	RHCQUQQTJWMEBS-UHFFFAOYSA-N	-1	0	397.406	0.210	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000784925175	641300403	/nfs/dbraw/zinc/30/04/03/641300403.db2.gz	HTOITELVQJSSRP-UHFFFAOYSA-N	-1	0	397.406	0.210	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000790075265	641407670	/nfs/dbraw/zinc/40/76/70/641407670.db2.gz	JXQZKISMWDJFOA-TVQRCGJNSA-N	-1	0	376.362	0.889	20	5		GCBDRM
NC(=O)Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000796719551	641546727	/nfs/dbraw/zinc/54/67/27/641546727.db2.gz	GJOUUHSBGMUTKR-UHFFFAOYSA-N	-1	0	387.757	0.988	20	5		GCBDRM
NC(=O)Cc1occc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000796898533	641551621	/nfs/dbraw/zinc/55/16/21/641551621.db2.gz	SZCLJXYCCVCFRI-UHFFFAOYSA-N	-1	0	387.757	0.988	20	5		GCBDRM
O=c1nc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[n-]o1	ZINC000810076355	641719678	/nfs/dbraw/zinc/71/96/78/641719678.db2.gz	BXOWLMXRTPZUCZ-UHFFFAOYSA-N	-1	0	393.175	0.555	20	5		GCBDRM
Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1=O	ZINC000815893121	641835731	/nfs/dbraw/zinc/83/57/31/641835731.db2.gz	RCLVITMWPGUTPR-UHFFFAOYSA-N	-1	0	389.777	0.039	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cc1[N+](=O)[O-]	ZINC000815961469	641838071	/nfs/dbraw/zinc/83/80/71/641838071.db2.gz	PYWKEPYFEZBGKI-UHFFFAOYSA-N	-1	0	390.805	0.648	20	5		GCBDRM
O=C(C[C@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000815985257	641838844	/nfs/dbraw/zinc/83/88/44/641838844.db2.gz	KOTFMJAENRETRL-SECBINFHSA-N	-1	0	394.402	0.754	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cn2C)c(C(F)(F)F)n1	ZINC000816293557	641849649	/nfs/dbraw/zinc/84/96/49/641849649.db2.gz	LKOIDILPFBTHNZ-UHFFFAOYSA-N	-1	0	381.292	0.804	20	5		GCBDRM
CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000569345708	642049567	/nfs/dbraw/zinc/04/95/67/642049567.db2.gz	WUIUORJBUUUOPF-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	ZINC000802052289	642142659	/nfs/dbraw/zinc/14/26/59/642142659.db2.gz	NEFDFRUBSOYENT-UHFFFAOYSA-N	-1	0	391.427	0.459	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cc1[N+](=O)[O-]	ZINC000802129301	642143905	/nfs/dbraw/zinc/14/39/05/642143905.db2.gz	RJDXBZCVEGQURW-SNVBAGLBSA-N	-1	0	392.411	0.237	20	5		GCBDRM
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000802162903	642147803	/nfs/dbraw/zinc/14/78/03/642147803.db2.gz	DIILUJRLFRAMPX-DTWKUNHWSA-N	-1	0	376.391	0.133	20	5		GCBDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000802229538	642149479	/nfs/dbraw/zinc/14/94/79/642149479.db2.gz	UAOPISAZLUFGPS-MRVPVSSYSA-N	-1	0	380.400	0.093	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)c([N+](=O)[O-])c1	ZINC000835098631	642222189	/nfs/dbraw/zinc/22/21/89/642222189.db2.gz	QVPZLMUUZJGQTP-UHFFFAOYSA-N	-1	0	391.427	0.459	20	5		GCBDRM
O=C([O-])CNC(=O)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837292180	642270386	/nfs/dbraw/zinc/27/03/86/642270386.db2.gz	HPVGRLSBOURKBB-UHFFFAOYSA-N	-1	0	383.741	0.257	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1I)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000842303441	642330169	/nfs/dbraw/zinc/33/01/69/642330169.db2.gz	DAPWJJRSKATVDY-HTRCEHHLSA-N	-1	0	396.162	0.761	20	5		GCBDRM
Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-]	ZINC000842403624	642335198	/nfs/dbraw/zinc/33/51/98/642335198.db2.gz	HDMNYYBSKCMWEU-ZDUSSCGKSA-N	-1	0	390.439	0.817	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1COCCO1	ZINC000842452939	642336507	/nfs/dbraw/zinc/33/65/07/642336507.db2.gz	ZJTLJRMWRWOFGK-VIFPVBQESA-N	-1	0	384.288	0.834	20	5		GCBDRM
C[S@](=O)C1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1	ZINC000844219414	642397291	/nfs/dbraw/zinc/39/72/91/642397291.db2.gz	VCVCNRXHOQLJGU-DEOSSOPVSA-N	-1	0	390.439	0.800	20	5		GCBDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000846003796	642467064	/nfs/dbraw/zinc/46/70/64/642467064.db2.gz	OQTPEJQYASHNJG-UHFFFAOYSA-N	-1	0	382.192	0.703	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000847894393	642524607	/nfs/dbraw/zinc/52/46/07/642524607.db2.gz	KKCMFXMGUDDYCX-MRVPVSSYSA-N	-1	0	382.320	0.679	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCCS1(=O)=O	ZINC000850886371	642701332	/nfs/dbraw/zinc/70/13/32/642701332.db2.gz	UPAZJQYJQZTBEZ-NSHDSACASA-N	-1	0	380.375	0.506	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CNC(=O)OC(C)(C)C)n1	ZINC000858943500	642972710	/nfs/dbraw/zinc/97/27/10/642972710.db2.gz	KRBLGVSQMZBAMX-UHFFFAOYSA-N	-1	0	377.423	0.910	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)NC(=O)OC(C)(C)C)n1	ZINC000859044798	642976251	/nfs/dbraw/zinc/97/62/51/642976251.db2.gz	BVTPQYJKYDEQGU-UHFFFAOYSA-N	-1	0	377.423	0.910	20	5		GCBDRM
C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)NC(=O)OC(C)(C)C	ZINC000859176501	642985139	/nfs/dbraw/zinc/98/51/39/642985139.db2.gz	VTNXPVJUNGPNGV-RKDXNWHRSA-N	-1	0	377.423	0.908	20	5		GCBDRM
COc1cc(S(=O)(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)ccc1[N+](=O)[O-]	ZINC000468905752	1192190100	/nfs/dbraw/zinc/19/01/00/1192190100.db2.gz	IGLCBHOPARKGCJ-UHFFFAOYSA-N	-1	0	380.342	0.444	20	5		GCBDRM
CCc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-]	ZINC000570335826	1192408217	/nfs/dbraw/zinc/40/82/17/1192408217.db2.gz	HVHVUYYKIJZYJW-NSHDSACASA-N	-1	0	385.398	0.369	20	5		GCBDRM
CCc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-]	ZINC000570335825	1192408313	/nfs/dbraw/zinc/40/83/13/1192408313.db2.gz	HVHVUYYKIJZYJW-LLVKDONJSA-N	-1	0	385.398	0.369	20	5		GCBDRM
CC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC000279920355	1192693080	/nfs/dbraw/zinc/69/30/80/1192693080.db2.gz	FCXOSUKKDGTEQQ-NSHDSACASA-N	-1	0	385.398	0.830	20	5		GCBDRM
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000274919572	1184427750	/nfs/dbraw/zinc/42/77/50/1184427750.db2.gz	MRPXPDDKCNGFLE-LBPRGKRZSA-N	-1	0	387.370	0.977	20	5		GCBDRM
O=C([O-])CC[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000274946341	1184438530	/nfs/dbraw/zinc/43/85/30/1184438530.db2.gz	HJBOTXGZMVVKOW-LBPRGKRZSA-N	-1	0	387.414	0.439	20	5		GCBDRM
O=C([O-])CC[C@H](CN1CCOCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000274946337	1184438653	/nfs/dbraw/zinc/43/86/53/1184438653.db2.gz	HJBOTXGZMVVKOW-GFCCVEGCSA-N	-1	0	387.414	0.439	20	5		GCBDRM
O=C([O-])CC[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000275028862	1184467209	/nfs/dbraw/zinc/46/72/09/1184467209.db2.gz	TYNFEJPIQNWIGH-GFCCVEGCSA-N	-1	0	387.414	0.439	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1	ZINC000275109162	1184513609	/nfs/dbraw/zinc/51/36/09/1184513609.db2.gz	MQEDFVBKFPEOHT-ZYHUDNBSSA-N	-1	0	383.382	0.291	20	5		GCBDRM
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000275157409	1184535982	/nfs/dbraw/zinc/53/59/82/1184535982.db2.gz	ZLGKNVJHGNLVNH-ZDUSSCGKSA-N	-1	0	382.398	0.919	20	5		GCBDRM
CC1(C)CN(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])CCO1	ZINC000547894004	1184739357	/nfs/dbraw/zinc/73/93/57/1184739357.db2.gz	DSYYEFZNGDUHII-CYBMUJFWSA-N	-1	0	387.414	0.536	20	5		GCBDRM
O=C([O-])[C@H](Cc1ccco1)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000547901153	1184740258	/nfs/dbraw/zinc/74/02/58/1184740258.db2.gz	NWEZNZWZZURDEB-JTQLQIEISA-N	-1	0	398.349	0.933	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC(=O)N(C2CC2)C1	ZINC000748116808	1184766475	/nfs/dbraw/zinc/76/64/75/1184766475.db2.gz	MARJFOFBMSSJHO-QMMMGPOBSA-N	-1	0	398.353	0.319	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1	ZINC000547919058	1184767666	/nfs/dbraw/zinc/76/76/66/1184767666.db2.gz	WNYAOBWYXHYTQW-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000471458510	1184873285	/nfs/dbraw/zinc/87/32/85/1184873285.db2.gz	IQLTYHSVTVAFCS-WBMJQRKESA-N	-1	0	399.425	0.398	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)C(=O)[O-])CC1	ZINC000580196827	1185114407	/nfs/dbraw/zinc/11/44/07/1185114407.db2.gz	FIWAYNDBGBWRPZ-LLVKDONJSA-N	-1	0	385.398	0.457	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)C(=O)[O-])CC1	ZINC000580196828	1185114573	/nfs/dbraw/zinc/11/45/73/1185114573.db2.gz	FIWAYNDBGBWRPZ-NSHDSACASA-N	-1	0	385.398	0.457	20	5		GCBDRM
NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000050208159	1185220231	/nfs/dbraw/zinc/22/02/31/1185220231.db2.gz	POVGCUOJUVAGIE-UHFFFAOYSA-N	-1	0	378.366	0.611	20	5		GCBDRM
CCCOc1cc(NC(=O)C(=O)[N-]OCC(N)=O)c([N+](=O)[O-])cc1OCCC	ZINC000275948308	1185334520	/nfs/dbraw/zinc/33/45/20/1185334520.db2.gz	DCIKGLIHEHFETR-UHFFFAOYSA-N	-1	0	398.372	0.644	20	5		GCBDRM
O=C([N-]OC[C@@H]1CCOC1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000276331418	1185740532	/nfs/dbraw/zinc/74/05/32/1185740532.db2.gz	FSGAKMVAFCTKDH-IUODEOHRSA-N	-1	0	399.425	0.832	20	5		GCBDRM
Cc1cc(C)n(C[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000548213928	1185888272	/nfs/dbraw/zinc/88/82/72/1185888272.db2.gz	DWWCBJRWOMOCMF-AWEZNQCLSA-N	-1	0	382.398	0.981	20	5		GCBDRM
Cn1cc(C[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cn1	ZINC000548216899	1185891662	/nfs/dbraw/zinc/89/16/62/1185891662.db2.gz	IHCKYSVBVJFSKF-ZDUSSCGKSA-N	-1	0	382.398	0.691	20	5		GCBDRM
COC(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276772357	1186038172	/nfs/dbraw/zinc/03/81/72/1186038172.db2.gz	BXPDAYSWUCTXMY-NSHDSACASA-N	-1	0	389.342	0.247	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000276834555	1186105365	/nfs/dbraw/zinc/10/53/65/1186105365.db2.gz	BNWBDBKVNMKAQD-PWSUYJOCSA-N	-1	0	385.398	0.551	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC000548533378	1186303343	/nfs/dbraw/zinc/30/33/43/1186303343.db2.gz	GVZRTHJBYBUUCW-QPUJVOFHSA-N	-1	0	388.354	0.149	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277248412	1186305518	/nfs/dbraw/zinc/30/55/18/1186305518.db2.gz	LJIHXPJPSZWBHE-LBPRGKRZSA-N	-1	0	387.414	0.275	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000548536755	1186306461	/nfs/dbraw/zinc/30/64/61/1186306461.db2.gz	RZVASFKKJFGUPR-LLVKDONJSA-N	-1	0	384.370	0.540	20	5		GCBDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	ZINC000277291624	1186320739	/nfs/dbraw/zinc/32/07/39/1186320739.db2.gz	QUALUBAWFIILPY-UHFFFAOYSA-N	-1	0	391.358	0.842	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000277311481	1186328331	/nfs/dbraw/zinc/32/83/31/1186328331.db2.gz	SWSIBEHESNSVHB-SNVBAGLBSA-N	-1	0	389.342	0.594	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC000262930223	1186329327	/nfs/dbraw/zinc/32/93/27/1186329327.db2.gz	OVVFNEPXXYOLBN-SFHVURJKSA-N	-1	0	393.396	0.973	20	5		GCBDRM
C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000263115825	1186351478	/nfs/dbraw/zinc/35/14/78/1186351478.db2.gz	BYUQENVHAPIFMC-GHMZBOCLSA-N	-1	0	385.398	0.585	20	5		GCBDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000263203819	1186363563	/nfs/dbraw/zinc/36/35/63/1186363563.db2.gz	MRFMYCJNYMEAGJ-RYUDHWBXSA-N	-1	0	399.425	0.927	20	5		GCBDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1	ZINC000263391328	1186391873	/nfs/dbraw/zinc/39/18/73/1186391873.db2.gz	YSVDNOBSJYAJFM-WCQYABFASA-N	-1	0	378.385	0.963	20	5		GCBDRM
CN(C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000551235579	1186400591	/nfs/dbraw/zinc/40/05/91/1186400591.db2.gz	XMPVVLUGEBGSNG-CHWSQXEVSA-N	-1	0	385.398	0.419	20	5		GCBDRM
CCO[C@H]1C[C@@](NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000548685468	1186423740	/nfs/dbraw/zinc/42/37/40/1186423740.db2.gz	MOJGNISMORHJDU-IINYFYTJSA-N	-1	0	390.418	0.748	20	5		GCBDRM
CO[C@H](C)c1nc(=NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)s[n-]1	ZINC000511103318	1186505403	/nfs/dbraw/zinc/50/54/03/1186505403.db2.gz	CIMIDYQHSXXUIJ-MRVPVSSYSA-N	-1	0	393.381	0.940	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1=O	ZINC000479009143	1186548297	/nfs/dbraw/zinc/54/82/97/1186548297.db2.gz	YPCYJNXOFXMJBI-NEPJUHHUSA-N	-1	0	381.389	0.353	20	5		GCBDRM
CCOc1cc([N+](=O)[O-])c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1OC	ZINC000277647581	1186551530	/nfs/dbraw/zinc/55/15/30/1186551530.db2.gz	NZXSQQXLSGKGII-UHFFFAOYSA-N	-1	0	389.386	0.198	20	5		GCBDRM
COCCCNC(=O)[C@@H](C)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000572903631	1186737949	/nfs/dbraw/zinc/73/79/49/1186737949.db2.gz	YHHXOBKQEVCYLX-CQSZACIVSA-N	-1	0	380.445	0.959	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)c([N+](=O)[O-])n1	ZINC000535990052	1186820730	/nfs/dbraw/zinc/82/07/30/1186820730.db2.gz	QKSDTGJOHRYOMP-UHFFFAOYSA-N	-1	0	381.370	0.967	20	5		GCBDRM
CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000278229819	1186841059	/nfs/dbraw/zinc/84/10/59/1186841059.db2.gz	VDKLYBNKEXUWJS-JTQLQIEISA-N	-1	0	390.370	0.678	20	5		GCBDRM
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000785217452	1187323083	/nfs/dbraw/zinc/32/30/83/1187323083.db2.gz	JZMQZOQJKGJNKZ-UHFFFAOYSA-N	-1	0	384.418	0.916	20	5		GCBDRM
CCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1OC	ZINC000364529732	1187447486	/nfs/dbraw/zinc/44/74/86/1187447486.db2.gz	SNOWDYAUZCXBCM-CYBMUJFWSA-N	-1	0	378.345	0.729	20	5		GCBDRM
C[C@H]1OCC[C@@]12CN(S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CCO2	ZINC000581314663	1187711528	/nfs/dbraw/zinc/71/15/28/1187711528.db2.gz	ZOZMZNPONPJCLQ-MEBBXXQBSA-N	-1	0	386.382	0.862	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1	ZINC000582590248	1187756612	/nfs/dbraw/zinc/75/66/12/1187756612.db2.gz	IFUJBGJJDSYWMT-JQWIXIFHSA-N	-1	0	385.398	0.551	20	5		GCBDRM
COC(=O)c1cnc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1	ZINC000416448430	1189520297	/nfs/dbraw/zinc/52/02/97/1189520297.db2.gz	UEMLQHWHLAPTPL-ZYHUDNBSSA-N	-1	0	380.357	0.898	20	5		GCBDRM
COC(=O)c1cnc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1	ZINC000416448428	1189520502	/nfs/dbraw/zinc/52/05/02/1189520502.db2.gz	UEMLQHWHLAPTPL-JQWIXIFHSA-N	-1	0	380.357	0.898	20	5		GCBDRM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1	ZINC000363862753	1189533674	/nfs/dbraw/zinc/53/36/74/1189533674.db2.gz	ZBVVCLZRKNWTNT-ZDUSSCGKSA-N	-1	0	399.425	0.567	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000417449149	1189664756	/nfs/dbraw/zinc/66/47/56/1189664756.db2.gz	XNDHLFFXFWXLHN-KBPBESRZSA-N	-1	0	399.425	0.724	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417446115	1189666255	/nfs/dbraw/zinc/66/62/55/1189666255.db2.gz	JQYXMYMMWQIWJS-YPMHNXCESA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448513	1189666977	/nfs/dbraw/zinc/66/69/77/1189666977.db2.gz	VATDCSODPZEUPH-SMDDNHRTSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1c(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000422583139	1194672198	/nfs/dbraw/zinc/67/21/98/1194672198.db2.gz	BTFHZHVPFRFTKU-PSASIEDQSA-N	-1	0	385.398	0.733	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000422665183	1194684983	/nfs/dbraw/zinc/68/49/83/1194684983.db2.gz	VNRPMBVUYRSGSY-NSHDSACASA-N	-1	0	379.325	0.704	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422725269	1194694839	/nfs/dbraw/zinc/69/48/39/1194694839.db2.gz	XSTCEIZTTBTXQU-ZYHUDNBSSA-N	-1	0	379.369	0.789	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422725266	1194695126	/nfs/dbraw/zinc/69/51/26/1194695126.db2.gz	XSTCEIZTTBTXQU-JQWIXIFHSA-N	-1	0	379.369	0.789	20	5		GCBDRM
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cc[nH]n2)CC1	ZINC000504148735	1194759238	/nfs/dbraw/zinc/75/92/38/1194759238.db2.gz	JGBYOAWTKKZBFX-UHFFFAOYSA-N	-1	0	381.370	0.170	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCS1(=O)=O	ZINC000424254151	1194806580	/nfs/dbraw/zinc/80/65/80/1194806580.db2.gz	YHDQDFSNMMSEFH-CYBMUJFWSA-N	-1	0	394.365	0.104	20	5		GCBDRM
CC(C)C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000424248918	1194806615	/nfs/dbraw/zinc/80/66/15/1194806615.db2.gz	NPSBYBGXXXUUDK-LLVKDONJSA-N	-1	0	387.414	0.736	20	5		GCBDRM
Cc1c(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000424250715	1194806654	/nfs/dbraw/zinc/80/66/54/1194806654.db2.gz	JIYUAHXKCUIVFI-SDBXPKJASA-N	-1	0	385.398	0.876	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1C	ZINC000424395257	1194810732	/nfs/dbraw/zinc/81/07/32/1194810732.db2.gz	VCCFOEWLTHFNJE-SNVBAGLBSA-N	-1	0	397.369	0.166	20	5		GCBDRM
CC(C)NC(=O)c1ccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000424463461	1194813688	/nfs/dbraw/zinc/81/36/88/1194813688.db2.gz	CKXXLVQNEDHEJH-ZDUSSCGKSA-N	-1	0	385.398	0.421	20	5		GCBDRM
O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000514665791	1194893133	/nfs/dbraw/zinc/89/31/33/1194893133.db2.gz	RSZVNMZTSKEFAY-LBPRGKRZSA-N	-1	0	379.369	0.803	20	5		GCBDRM
COc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1S(N)(=O)=O	ZINC000436929822	1195048422	/nfs/dbraw/zinc/04/84/22/1195048422.db2.gz	VBYFPXCLEIPZHS-UHFFFAOYSA-N	-1	0	381.366	0.886	20	5		GCBDRM
CN1CCN(C(=O)Cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cn2)CC1	ZINC000436963777	1195050256	/nfs/dbraw/zinc/05/02/56/1195050256.db2.gz	HEXIYDZJYDGBIT-UHFFFAOYSA-N	-1	0	388.384	0.523	20	5		GCBDRM
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000436988760	1195053958	/nfs/dbraw/zinc/05/39/58/1195053958.db2.gz	MKABUPSXGBXJDX-CYBMUJFWSA-N	-1	0	394.428	0.599	20	5		GCBDRM
C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000506342576	1195244487	/nfs/dbraw/zinc/24/44/87/1195244487.db2.gz	ZGBITCAPNWVNMB-CYBMUJFWSA-N	-1	0	392.412	0.306	20	5		GCBDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)c[nH]1	ZINC000438807771	1195252286	/nfs/dbraw/zinc/25/22/86/1195252286.db2.gz	RMXREURTHCZJEJ-UHFFFAOYSA-N	-1	0	384.370	0.915	20	5		GCBDRM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)c([N+](=O)[O-])c1	ZINC000509561230	1195257877	/nfs/dbraw/zinc/25/78/77/1195257877.db2.gz	ZEAXWDHIZFBTQY-UHFFFAOYSA-N	-1	0	392.393	0.919	20	5		GCBDRM
CCC[C@]1(C)C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000518543981	1195301510	/nfs/dbraw/zinc/30/15/10/1195301510.db2.gz	ZLNCXICAWAQAMG-OAHLLOKOSA-N	-1	0	385.398	0.972	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N2CC[C@@H](Nc3ncccn3)C2)c1[N+](=O)[O-]	ZINC000518543169	1195301570	/nfs/dbraw/zinc/30/15/70/1195301570.db2.gz	FCZNHLXSVBBRGE-SNVBAGLBSA-N	-1	0	393.381	0.958	20	5		GCBDRM
O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000506664753	1195347170	/nfs/dbraw/zinc/34/71/70/1195347170.db2.gz	YFBVKGVHQXWDTH-UHFFFAOYSA-N	-1	0	398.375	0.802	20	5		GCBDRM
Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000427140027	1195510614	/nfs/dbraw/zinc/51/06/14/1195510614.db2.gz	MRBFTUXFSPYSBB-UHFFFAOYSA-N	-1	0	375.297	0.469	20	5		GCBDRM
CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000507370547	1195514884	/nfs/dbraw/zinc/51/48/84/1195514884.db2.gz	JERPNMTVJOHIBU-QWRGUYRKSA-N	-1	0	385.398	0.637	20	5		GCBDRM
Cc1cccc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1[N+](=O)[O-]	ZINC000143325961	1196430557	/nfs/dbraw/zinc/43/05/57/1196430557.db2.gz	CZBKLNANJBZRMV-UHFFFAOYSA-N	-1	0	397.347	0.802	20	5		GCBDRM
COCc1noc(CN2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)n1	ZINC000444445372	1196479497	/nfs/dbraw/zinc/47/94/97/1196479497.db2.gz	QTGRVYFOGGGFBQ-UHFFFAOYSA-N	-1	0	377.357	0.788	20	5		GCBDRM
C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCN1c1nccn2cnnc12	ZINC000444971158	1196533326	/nfs/dbraw/zinc/53/33/26/1196533326.db2.gz	WMUIDDUHMWXATF-JTQLQIEISA-N	-1	0	384.356	0.484	20	5		GCBDRM
C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCN1c1nccn2cnnc12	ZINC000444971159	1196533684	/nfs/dbraw/zinc/53/36/84/1196533684.db2.gz	WMUIDDUHMWXATF-SNVBAGLBSA-N	-1	0	384.356	0.484	20	5		GCBDRM
Cc1sc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)cc1[N+](=O)[O-]	ZINC000466977622	1196574699	/nfs/dbraw/zinc/57/46/99/1196574699.db2.gz	SYBSWCGCPUUVDN-UHFFFAOYSA-N	-1	0	398.422	0.981	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000144622566	1196647864	/nfs/dbraw/zinc/64/78/64/1196647864.db2.gz	VVGHLLIHFYJMBG-UHFFFAOYSA-N	-1	0	392.349	0.934	20	5		GCBDRM
CC[C@@H]1CN(CCNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1	ZINC000447154205	1196696740	/nfs/dbraw/zinc/69/67/40/1196696740.db2.gz	SBPFEEIJRGIJCZ-CYBMUJFWSA-N	-1	0	387.414	0.682	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)c([N+](=O)[O-])c1	ZINC000530488338	1196991973	/nfs/dbraw/zinc/99/19/73/1196991973.db2.gz	KOLLKOGSJIMNNA-ZDUSSCGKSA-N	-1	0	384.370	0.750	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NCC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000531740320	1197094477	/nfs/dbraw/zinc/09/44/77/1197094477.db2.gz	BBHHPKLSVAKKIQ-UHFFFAOYSA-N	-1	0	393.377	0.888	20	5		GCBDRM
CC1(Cn2cc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nn2)COC1	ZINC000760239056	1197241998	/nfs/dbraw/zinc/24/19/98/1197241998.db2.gz	ULMXMQMHTPNHQK-UHFFFAOYSA-N	-1	0	399.360	0.481	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc([N+](=O)[O-])c1	ZINC000532793642	1197412325	/nfs/dbraw/zinc/41/23/25/1197412325.db2.gz	OAPLJIIYXVGZOI-VIFPVBQESA-N	-1	0	380.386	0.531	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1	ZINC000273720430	1199063031	/nfs/dbraw/zinc/06/30/31/1199063031.db2.gz	MIPPLMMQLLCNPY-CHWSQXEVSA-N	-1	0	383.382	0.725	20	5		GCBDRM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000595248176	1201064319	/nfs/dbraw/zinc/06/43/19/1201064319.db2.gz	GLFDEQKHUSUXIW-SNVBAGLBSA-N	-1	0	389.368	1.368	20	5		GCBDRM
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000729897716	1201417555	/nfs/dbraw/zinc/41/75/55/1201417555.db2.gz	YQVJMGQYSZSZRX-VIFPVBQESA-N	-1	0	391.358	0.750	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000730514369	1201449849	/nfs/dbraw/zinc/44/98/49/1201449849.db2.gz	GYXJEABADMOJFI-UHFFFAOYSA-N	-1	0	383.368	0.328	20	5		GCBDRM
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000731545666	1201488416	/nfs/dbraw/zinc/48/84/16/1201488416.db2.gz	DKSGUHRADYHKMJ-UHFFFAOYSA-N	-1	0	396.356	0.949	20	5		GCBDRM
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000731854800	1201505312	/nfs/dbraw/zinc/50/53/12/1201505312.db2.gz	FVGYZMOJJQSSFG-OAHLLOKOSA-N	-1	0	387.400	0.924	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1	ZINC000732495181	1201546317	/nfs/dbraw/zinc/54/63/17/1201546317.db2.gz	WJEDJQAKFLWDSM-SNVBAGLBSA-N	-1	0	397.369	0.031	20	5		GCBDRM
CC(C)CCS(=O)(=O)[N-]C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000732511334	1201546756	/nfs/dbraw/zinc/54/67/56/1201546756.db2.gz	ASDGLKWGGDRMTD-UHFFFAOYSA-N	-1	0	383.382	0.683	20	5		GCBDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000733714567	1201604393	/nfs/dbraw/zinc/60/43/93/1201604393.db2.gz	IEKZAODQVARMBP-LLVKDONJSA-N	-1	0	387.414	0.526	20	5		GCBDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000733714568	1201604653	/nfs/dbraw/zinc/60/46/53/1201604653.db2.gz	IEKZAODQVARMBP-NSHDSACASA-N	-1	0	387.414	0.526	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000733722328	1201604976	/nfs/dbraw/zinc/60/49/76/1201604976.db2.gz	WOPSOYMJGGITIT-LBPRGKRZSA-N	-1	0	380.382	0.844	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000734089345	1201642176	/nfs/dbraw/zinc/64/21/76/1201642176.db2.gz	UENHGZRFLCBBRY-UHFFFAOYSA-N	-1	0	390.370	0.381	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000734088638	1201642259	/nfs/dbraw/zinc/64/22/59/1201642259.db2.gz	JFWMSBWAYVRNFT-UHFFFAOYSA-N	-1	0	396.381	0.793	20	5		GCBDRM
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1	ZINC000734734112	1201662445	/nfs/dbraw/zinc/66/24/45/1201662445.db2.gz	DXXYCLZUFHERAL-UHFFFAOYSA-N	-1	0	378.366	0.777	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(N)=O)c2)ccc1[N+](=O)[O-]	ZINC000734734557	1201662556	/nfs/dbraw/zinc/66/25/56/1201662556.db2.gz	GXKKNOXWWCXQCL-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(N)c([N+](=O)[O-])c2)c1	ZINC000734974090	1201668272	/nfs/dbraw/zinc/66/82/72/1201668272.db2.gz	SCVURVDREWHODB-UHFFFAOYSA-N	-1	0	392.393	0.998	20	5		GCBDRM
O=C(Cc1csc(-c2nc[nH]n2)n1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000735597435	1201695825	/nfs/dbraw/zinc/69/58/25/1201695825.db2.gz	WDKVMLGRZPEOSH-UHFFFAOYSA-N	-1	0	394.394	0.884	20	5		GCBDRM
CCC[C@H](NC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)c1nnn[n-]1	ZINC000736430473	1201714188	/nfs/dbraw/zinc/71/41/88/1201714188.db2.gz	KQOSEUBIEUOGFW-JTQLQIEISA-N	-1	0	378.345	0.965	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)cc1OC	ZINC000741109321	1201757682	/nfs/dbraw/zinc/75/76/82/1201757682.db2.gz	WVCQLNHRNAZZTN-UHFFFAOYSA-N	-1	0	384.370	0.704	20	5		GCBDRM
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]N1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000767162325	1201967545	/nfs/dbraw/zinc/96/75/45/1201967545.db2.gz	YGHBDDYWWSOSCL-QGZVFWFLSA-N	-1	0	386.368	0.916	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c([N+](=O)[O-])n1	ZINC000767531375	1201976772	/nfs/dbraw/zinc/97/67/72/1201976772.db2.gz	YLZSCTDNXZBYEZ-UHFFFAOYSA-N	-1	0	386.390	0.259	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000768220595	1202007676	/nfs/dbraw/zinc/00/76/76/1202007676.db2.gz	TXCIKIFESMAXHD-UHFFFAOYSA-N	-1	0	392.386	0.335	20	5		GCBDRM
O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000768771851	1202033836	/nfs/dbraw/zinc/03/38/36/1202033836.db2.gz	VCIUQRCKGKPMFQ-UHFFFAOYSA-N	-1	0	381.341	0.969	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nc1C	ZINC000770199833	1202088967	/nfs/dbraw/zinc/08/89/67/1202088967.db2.gz	CEKAVPZJXPVQGM-UHFFFAOYSA-N	-1	0	382.354	0.967	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770517350	1202100800	/nfs/dbraw/zinc/10/08/00/1202100800.db2.gz	YUZVXDFDOBVIOC-UHFFFAOYSA-N	-1	0	378.297	0.903	20	5		GCBDRM
NC(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770775290	1202110940	/nfs/dbraw/zinc/11/09/40/1202110940.db2.gz	KGAKKLSGNRCIGQ-UHFFFAOYSA-N	-1	0	397.340	0.717	20	5		GCBDRM
O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000787902878	1205406187	/nfs/dbraw/zinc/40/61/87/1205406187.db2.gz	SBXPYADYXLKRHR-OLZOCXBDSA-N	-1	0	389.397	0.918	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1ccccc1OCC(N)=O	ZINC000789474717	1205440314	/nfs/dbraw/zinc/44/03/14/1205440314.db2.gz	GHQZVUJZZKGZRB-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(C)C	ZINC000789474215	1205440371	/nfs/dbraw/zinc/44/03/71/1205440371.db2.gz	CBEQBVDJJNOKED-AWEZNQCLSA-N	-1	0	387.414	0.495	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N2CCSC[C@H]2c2nnn[n-]2)ccc1[N+](=O)[O-]	ZINC000789924181	1205451638	/nfs/dbraw/zinc/45/16/38/1205451638.db2.gz	VRNSPLLNIGOURF-LBPRGKRZSA-N	-1	0	391.413	0.463	20	5		GCBDRM
Cc1noc(C[N-]S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)n1	ZINC000790447055	1205464949	/nfs/dbraw/zinc/46/49/49/1205464949.db2.gz	WWCULWRSDYOZJB-UHFFFAOYSA-N	-1	0	383.342	0.721	20	5		GCBDRM
CN(CC(=O)[N-]OCc1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000746936723	1205468351	/nfs/dbraw/zinc/46/83/51/1205468351.db2.gz	GFSQFACPVPACRY-UHFFFAOYSA-N	-1	0	380.382	0.858	20	5		GCBDRM
COc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc([N+](=O)[O-])c1C	ZINC000791764779	1205480681	/nfs/dbraw/zinc/48/06/81/1205480681.db2.gz	XFWOTXFKPXFVDZ-UHFFFAOYSA-N	-1	0	396.381	0.468	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccccn1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000793313386	1205497972	/nfs/dbraw/zinc/49/79/72/1205497972.db2.gz	SXLREDVSVUHQNU-UHFFFAOYSA-N	-1	0	388.365	0.830	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccon1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000747182417	1205513315	/nfs/dbraw/zinc/51/33/15/1205513315.db2.gz	CNKHXVZYMOCQRW-JTQLQIEISA-N	-1	0	398.353	0.427	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)CO[C@@H](C)c2nccn2C)ccc1[N+](=O)[O-]	ZINC000805896774	1205545896	/nfs/dbraw/zinc/54/58/96/1205545896.db2.gz	LLBNYQPNSZIVAN-JTQLQIEISA-N	-1	0	398.397	0.920	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cn(C2CCOCC2)nn1	ZINC000810515316	1205639398	/nfs/dbraw/zinc/63/93/98/1205639398.db2.gz	BJTMATCBGUUHBJ-UHFFFAOYSA-N	-1	0	381.370	0.657	20	5		GCBDRM
Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC2	ZINC000810554187	1205639706	/nfs/dbraw/zinc/63/97/06/1205639706.db2.gz	OXRNQOMRLSNUII-MRVPVSSYSA-N	-1	0	399.816	0.987	20	5		GCBDRM
Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC2	ZINC000810554188	1205639737	/nfs/dbraw/zinc/63/97/37/1205639737.db2.gz	OXRNQOMRLSNUII-QMMMGPOBSA-N	-1	0	399.816	0.987	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cn(C2CCOCC2)nn1	ZINC000810608841	1205640673	/nfs/dbraw/zinc/64/06/73/1205640673.db2.gz	AZVGUCNYNQTFDG-UHFFFAOYSA-N	-1	0	382.358	0.052	20	5		GCBDRM
Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC2	ZINC000810634495	1205640837	/nfs/dbraw/zinc/64/08/37/1205640837.db2.gz	SSZKGKDCRLYFRH-MRVPVSSYSA-N	-1	0	383.361	0.472	20	5		GCBDRM
COc1ccc(C(=O)COC(=O)Cn2cc([N+](=O)[O-])cn2)c2occ([O-])c21	ZINC000811073894	1205646004	/nfs/dbraw/zinc/64/60/04/1205646004.db2.gz	GYHMQIKYEFDGQK-UHFFFAOYSA-N	-1	0	375.293	0.801	20	5		GCBDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000811141729	1205647487	/nfs/dbraw/zinc/64/74/87/1205647487.db2.gz	NOGMZXUSCMEFGO-UHFFFAOYSA-N	-1	0	388.354	0.582	20	5		GCBDRM
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(N3CCOC3=O)c([N+](=O)[O-])c1)C2	ZINC000811673148	1205654552	/nfs/dbraw/zinc/65/45/52/1205654552.db2.gz	DZQIZBLABNRWRV-VFZGTOFNSA-N	-1	0	397.365	0.647	20	5		GCBDRM
COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000811673670	1205654635	/nfs/dbraw/zinc/65/46/35/1205654635.db2.gz	NWEXJYWGPHAIOS-RTHLEPHNSA-N	-1	0	385.354	0.868	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000813948011	1205683308	/nfs/dbraw/zinc/68/33/08/1205683308.db2.gz	BNVLBUYNTMRLPK-UHFFFAOYSA-N	-1	0	396.381	0.480	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000813990071	1205683931	/nfs/dbraw/zinc/68/39/31/1205683931.db2.gz	WIEJQUBOUZGBBS-UHFFFAOYSA-N	-1	0	382.354	0.527	20	5		GCBDRM
O=C(NCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1)OCc1ccccc1	ZINC000813977978	1205684389	/nfs/dbraw/zinc/68/43/89/1205684389.db2.gz	VUCWGMWPPMZLOP-UHFFFAOYSA-N	-1	0	396.381	0.909	20	5		GCBDRM
COc1cc(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)c([N+](=O)[O-])cc1OC	ZINC000813986875	1205684718	/nfs/dbraw/zinc/68/47/18/1205684718.db2.gz	JIYKGVNQUWEQLM-UHFFFAOYSA-N	-1	0	384.370	0.773	20	5		GCBDRM
COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1F	ZINC001173178885	1205718884	/nfs/dbraw/zinc/71/88/84/1205718884.db2.gz	NGIKJRMCJBLFOO-UJVNDKKSSA-N	-1	0	391.377	0.665	20	5		GCBDRM
Cc1ncc(NC2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)[nH]1	ZINC001173696498	1205726747	/nfs/dbraw/zinc/72/67/47/1205726747.db2.gz	YSLBUIYYJACPJD-ZDUSSCGKSA-N	-1	0	393.425	0.736	20	5		GCBDRM
O=C([N-]OC1CCOCC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000773638626	1205767592	/nfs/dbraw/zinc/76/75/92/1205767592.db2.gz	NUVPHJBEKMOKGN-UHFFFAOYSA-N	-1	0	381.341	0.921	20	5		GCBDRM
Cc1cccn2c(=O)c(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])nc3)cnc12	ZINC000773786972	1205798110	/nfs/dbraw/zinc/79/81/10/1205798110.db2.gz	RUBJIZVRLBOYIN-UHFFFAOYSA-N	-1	0	389.349	0.425	20	5		GCBDRM
COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1	ZINC000774185658	1205865826	/nfs/dbraw/zinc/86/58/26/1205865826.db2.gz	WBACDTZONSHSSO-ZZXKWVIFSA-N	-1	0	394.365	0.920	20	5		GCBDRM
O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1[O-]	ZINC001190383900	1206033407	/nfs/dbraw/zinc/03/34/07/1206033407.db2.gz	NRLJFVATPCUGER-CQSZACIVSA-N	-1	0	390.439	0.890	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCCOC1	ZINC000262861455	939080863	/nfs/dbraw/zinc/08/08/63/939080863.db2.gz	UEQZHJZNUBFCPQ-YGRLFVJLSA-N	-1	0	375.341	0.785	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc([N+](=O)[O-])c1	ZINC000432112529	939176416	/nfs/dbraw/zinc/17/64/16/939176416.db2.gz	MTTAHVAKGSTUBS-TVQRCGJNSA-N	-1	0	386.382	0.608	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1[N+](=O)[O-]	ZINC000832716815	939221126	/nfs/dbraw/zinc/22/11/26/939221126.db2.gz	YVMPTPRQNQHCGY-CYBMUJFWSA-N	-1	0	379.350	0.949	20	5		GCBDRM
COc1ccc(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cc1[N+](=O)[O-]	ZINC000555851427	939306303	/nfs/dbraw/zinc/30/63/03/939306303.db2.gz	AFBMFYLKICZHPX-UHFFFAOYSA-N	-1	0	387.370	0.757	20	5		GCBDRM
COc1ccc([C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C(=O)[O-])c(OC)c1	ZINC000584335692	939797010	/nfs/dbraw/zinc/79/70/10/939797010.db2.gz	ZGIAIOZBJRFVRB-AWEZNQCLSA-N	-1	0	393.356	0.934	20	5		GCBDRM
Cn1nccc1[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000592468936	939801619	/nfs/dbraw/zinc/80/16/19/939801619.db2.gz	PBQAHWMVHFHTBF-AWEZNQCLSA-N	-1	0	390.356	0.070	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCOCC1	ZINC000597160380	939802948	/nfs/dbraw/zinc/80/29/48/939802948.db2.gz	BHBRRXJYOZNQEF-CQSZACIVSA-N	-1	0	375.341	0.785	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1(C(=O)[O-])CCOCC1	ZINC000595999370	939803012	/nfs/dbraw/zinc/80/30/12/939803012.db2.gz	JRSOORAAQOEPOR-UHFFFAOYSA-N	-1	0	379.325	0.070	20	5		GCBDRM
C[C@](NC(=O)CCN1CCCS1(=O)=O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600879025	939806518	/nfs/dbraw/zinc/80/65/18/939806518.db2.gz	VCAFIEJMQFCUKB-OAHLLOKOSA-N	-1	0	385.398	0.436	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CCO1	ZINC001601845428	971072988	/nfs/dbraw/zinc/07/29/88/971072988.db2.gz	LYNFXRJYUORPLQ-GFCCVEGCSA-N	-1	0	377.309	0.174	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826450677	948318053	/nfs/dbraw/zinc/31/80/53/948318053.db2.gz	YGFCHBZAGKFBBF-UHFFFAOYSA-N	-1	0	397.760	0.875	20	5		GCBDRM
O=C([O-])[C@@]1(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCCO1	ZINC001595278108	949950565	/nfs/dbraw/zinc/95/05/65/949950565.db2.gz	GDFWBWGHSOZYEW-KRWDZBQOSA-N	-1	0	377.353	0.513	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000262482574	950131753	/nfs/dbraw/zinc/13/17/53/950131753.db2.gz	VZSTYSGJFNGVTC-LLVKDONJSA-N	-1	0	387.414	0.378	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263453333	950471597	/nfs/dbraw/zinc/47/15/97/950471597.db2.gz	OOLKIDSRWJILNE-HNNXBMFYSA-N	-1	0	385.398	0.729	20	5		GCBDRM
CC1(C)C[C@@](C)(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C(=O)O1	ZINC001575631565	950780647	/nfs/dbraw/zinc/78/06/47/950780647.db2.gz	PUMJVYAYROVHGD-CQSZACIVSA-N	-1	0	396.385	0.537	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1=O	ZINC001595091063	951774180	/nfs/dbraw/zinc/77/41/80/951774180.db2.gz	LZGRXXZZOAJAFZ-AWEZNQCLSA-N	-1	0	378.385	0.902	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1=O	ZINC001595095894	951812144	/nfs/dbraw/zinc/81/21/44/951812144.db2.gz	BBMDCENPEUQIBJ-ZDUSSCGKSA-N	-1	0	399.425	0.522	20	5		GCBDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1	ZINC001589269064	953395137	/nfs/dbraw/zinc/39/51/37/953395137.db2.gz	PGCDNJMORYLPEU-UWVGGRQHSA-N	-1	0	375.337	0.760	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1	ZINC001589269063	953395897	/nfs/dbraw/zinc/39/58/97/953395897.db2.gz	PGCDNJMORYLPEU-NXEZZACHSA-N	-1	0	375.337	0.760	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)CC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000427726275	953496810	/nfs/dbraw/zinc/49/68/10/953496810.db2.gz	FYWZALGAGVPSNW-LLVKDONJSA-N	-1	0	378.385	0.856	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2	ZINC001594778058	953608853	/nfs/dbraw/zinc/60/88/53/953608853.db2.gz	WQZHKBFSUSTFKB-FVMDXXJSSA-N	-1	0	375.341	0.714	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000566235369	953624159	/nfs/dbraw/zinc/62/41/59/953624159.db2.gz	SJCQJHQCEZUCMD-RISCZKNCSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000566235360	953624183	/nfs/dbraw/zinc/62/41/83/953624183.db2.gz	SJCQJHQCEZUCMD-BXUZGUMPSA-N	-1	0	399.425	0.832	20	5		GCBDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000590600617	953740284	/nfs/dbraw/zinc/74/02/84/953740284.db2.gz	JZTMBMPABUMXJZ-NSHDSACASA-N	-1	0	381.366	0.973	20	5		GCBDRM
CC(C)(C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)n1cc([N+](=O)[O-])cn1	ZINC000593919789	953755527	/nfs/dbraw/zinc/75/55/27/953755527.db2.gz	BHSQFRBHTCEGDS-NSHDSACASA-N	-1	0	393.400	0.451	20	5		GCBDRM
CC(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000594465991	953763569	/nfs/dbraw/zinc/76/35/69/953763569.db2.gz	DABARZKHKNBDKK-ZDUSSCGKSA-N	-1	0	387.414	0.688	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001593750985	954409314	/nfs/dbraw/zinc/40/93/14/954409314.db2.gz	OBDSCKBXCUCJEW-MRXNPFEDSA-N	-1	0	399.425	0.832	20	5		GCBDRM
COC(=O)C1CC2(C1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]2C(=O)[O-]	ZINC001593824946	955090785	/nfs/dbraw/zinc/09/07/85/955090785.db2.gz	BUDZTGLMKDMHCG-XNVJVGRKSA-N	-1	0	398.393	0.869	20	5		GCBDRM
O=C([O-])C(=O)N1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000738517794	955246904	/nfs/dbraw/zinc/24/69/04/955246904.db2.gz	ODEGVLISVILOCS-UHFFFAOYSA-N	-1	0	385.760	0.773	20	5		GCBDRM
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC001593842157	955375993	/nfs/dbraw/zinc/37/59/93/955375993.db2.gz	RYZPBCKJEGOMEY-UHFFFAOYSA-N	-1	0	380.762	0.887	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1	ZINC001593961592	956488090	/nfs/dbraw/zinc/48/80/90/956488090.db2.gz	JGEASTRDIKYBFB-QGZVFWFLSA-N	-1	0	395.368	0.283	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC001593961763	956491328	/nfs/dbraw/zinc/49/13/28/956491328.db2.gz	OVLZTCAGPXCIMU-INIZCTEOSA-N	-1	0	399.787	0.928	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1	ZINC001593981979	956718290	/nfs/dbraw/zinc/71/82/90/956718290.db2.gz	DOGNAIJQILGMPG-RHSMWYFYSA-N	-1	0	379.369	0.502	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1	ZINC001593983370	956729296	/nfs/dbraw/zinc/72/92/96/956729296.db2.gz	GXHGBZJDHZAIHK-OAHLLOKOSA-N	-1	0	388.398	0.269	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO1	ZINC001593986210	956785019	/nfs/dbraw/zinc/78/50/19/956785019.db2.gz	QCFRMWINJCHSBB-OAHLLOKOSA-N	-1	0	387.776	0.989	20	5		GCBDRM
O=C([O-])[C@@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCO1	ZINC001574825110	957927284	/nfs/dbraw/zinc/92/72/84/957927284.db2.gz	JMYASCOPLBQBGY-KRWDZBQOSA-N	-1	0	377.353	0.513	20	5		GCBDRM
C[C@@](CO)(NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1	ZINC001603203325	972313602	/nfs/dbraw/zinc/31/36/02/972313602.db2.gz	ZHKHZFRTRIIOLH-GUYCJALGSA-N	-1	0	379.369	0.242	20	5		GCBDRM
CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001573353005	958570306	/nfs/dbraw/zinc/57/03/06/958570306.db2.gz	RIEOOGFBZUOTAO-UHFFFAOYSA-N	-1	0	382.304	0.061	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@@H](C)C(=O)[O-]	ZINC001588508127	958745845	/nfs/dbraw/zinc/74/58/45/958745845.db2.gz	AIZBRZTWSIEBKZ-VIFPVBQESA-N	-1	0	384.364	0.851	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)OCCN2CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001594173746	959019444	/nfs/dbraw/zinc/01/94/44/959019444.db2.gz	CBJGXFIKVNSSBL-LLVKDONJSA-N	-1	0	386.382	0.704	20	5		GCBDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC001574280023	960636256	/nfs/dbraw/zinc/63/62/56/960636256.db2.gz	BJPMVGPRNKFVNL-BMIGLBTASA-N	-1	0	385.398	0.442	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cc([N+](=O)[O-])c1F	ZINC001325836786	961062184	/nfs/dbraw/zinc/06/21/84/961062184.db2.gz	RVDUPHAVMVVKGC-UHFFFAOYSA-N	-1	0	375.378	0.823	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000262028192	961407377	/nfs/dbraw/zinc/40/73/77/961407377.db2.gz	GQEXSBOTAVLKGG-NWDGAFQWSA-N	-1	0	397.409	0.539	20	5		GCBDRM
O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000262320162	961641064	/nfs/dbraw/zinc/64/10/64/961641064.db2.gz	QXLMYOPYCVNNHK-UHFFFAOYSA-N	-1	0	383.382	0.293	20	5		GCBDRM
C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-]	ZINC000263118585	962271036	/nfs/dbraw/zinc/27/10/36/962271036.db2.gz	WXJWMUGEFYLKGG-SMDDNHRTSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263295179	962437337	/nfs/dbraw/zinc/43/73/37/962437337.db2.gz	VYEVHYTUVZPSSJ-HNNXBMFYSA-N	-1	0	385.398	0.875	20	5		GCBDRM
O=C([O-])C1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1	ZINC001574656498	962464408	/nfs/dbraw/zinc/46/44/08/962464408.db2.gz	DJPYYJUGBPEZBF-NSHDSACASA-N	-1	0	397.409	0.539	20	5		GCBDRM
O=C([O-])COCCOCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC001574731878	962846155	/nfs/dbraw/zinc/84/61/55/962846155.db2.gz	WSACXYVUPCFPMY-UHFFFAOYSA-N	-1	0	396.400	0.544	20	5		GCBDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000263094096	967846229	/nfs/dbraw/zinc/84/62/29/967846229.db2.gz	CIVPJSWGVNMBNA-QWRGUYRKSA-N	-1	0	385.398	0.585	20	5		GCBDRM
O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000368988573	968059804	/nfs/dbraw/zinc/05/98/04/968059804.db2.gz	ACJDKJJVZQWWHB-HIFRSBDPSA-N	-1	0	387.352	0.334	20	5		GCBDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000593920943	968493539	/nfs/dbraw/zinc/49/35/39/968493539.db2.gz	JBYOGZSGRQHENM-ZWNOBZJWSA-N	-1	0	385.398	0.727	20	5		GCBDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000595988222	968502258	/nfs/dbraw/zinc/50/22/58/968502258.db2.gz	GDTGYMWDFSTNJF-KRWDZBQOSA-N	-1	0	391.384	1.000	20	5		GCBDRM
COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1SC	ZINC000738079905	969140418	/nfs/dbraw/zinc/14/04/18/969140418.db2.gz	QLPFXPDFYUJENY-UHFFFAOYSA-N	-1	0	383.382	0.694	20	5		GCBDRM
O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1	ZINC001606108221	973303559	/nfs/dbraw/zinc/30/35/59/973303559.db2.gz	QEHPXPKQNYLPCC-OCCSQVGLSA-N	-1	0	378.385	0.908	20	5		GCBDRM
O=C([O-])CN1CCC[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O	ZINC001606252015	973560225	/nfs/dbraw/zinc/56/02/25/973560225.db2.gz	VFDHHIPTPWCODM-CYBMUJFWSA-N	-1	0	390.396	0.567	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1	ZINC001604564199	973622604	/nfs/dbraw/zinc/62/26/04/973622604.db2.gz	HLGQIZCNSVNFQO-ZDUSSCGKSA-N	-1	0	378.334	0.225	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2	ZINC001606433549	973882297	/nfs/dbraw/zinc/88/22/97/973882297.db2.gz	OPKXQNCRFGSXGB-SDBXPKJASA-N	-1	0	376.774	0.970	20	5		GCBDRM
CN(CCCC(=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000416424570	973950874	/nfs/dbraw/zinc/95/08/74/973950874.db2.gz	DXERNZMDVXHVRC-UHFFFAOYSA-N	-1	0	387.414	0.917	20	5		GCBDRM
O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000422714008	974008596	/nfs/dbraw/zinc/00/85/96/974008596.db2.gz	QFCWHZCUHYLNII-LBPRGKRZSA-N	-1	0	376.369	0.177	20	5		GCBDRM
O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000422714006	974008911	/nfs/dbraw/zinc/00/89/11/974008911.db2.gz	QFCWHZCUHYLNII-GFCCVEGCSA-N	-1	0	376.369	0.177	20	5		GCBDRM
CC[C@H](C)N(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000442745802	974118333	/nfs/dbraw/zinc/11/83/33/974118333.db2.gz	KQYANDULIOBAJS-NSHDSACASA-N	-1	0	387.414	0.927	20	5		GCBDRM
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000478951739	974215710	/nfs/dbraw/zinc/21/57/10/974215710.db2.gz	UVYVXGAGSSIHHY-NVGCLXPQSA-N	-1	0	395.416	0.777	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1	ZINC000563451646	974533205	/nfs/dbraw/zinc/53/32/05/974533205.db2.gz	ZVHKJIVLQDKFLT-BXUZGUMPSA-N	-1	0	375.341	0.880	20	5		GCBDRM
O=C([O-])c1cn(CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])nn1	ZINC000572964585	974756666	/nfs/dbraw/zinc/75/66/66/974756666.db2.gz	QZNGZJDMYLGSHA-UHFFFAOYSA-N	-1	0	376.373	0.829	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N(CC(=O)[O-])C2CCOCC2)ccc1[N+](=O)[O-]	ZINC000573829725	974771241	/nfs/dbraw/zinc/77/12/41/974771241.db2.gz	WAFILTDITCJUPW-UHFFFAOYSA-N	-1	0	379.369	0.725	20	5		GCBDRM
CO[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1	ZINC000575431294	974800115	/nfs/dbraw/zinc/80/01/15/974800115.db2.gz	ZXOQDNUKQPPZOT-UONOGXRCSA-N	-1	0	379.369	0.805	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000591459253	974971656	/nfs/dbraw/zinc/97/16/56/974971656.db2.gz	UGYCWEOVTOLXIQ-CQSZACIVSA-N	-1	0	379.369	0.346	20	5		GCBDRM
O=C([O-])Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cn1	ZINC000592467527	974976098	/nfs/dbraw/zinc/97/60/98/974976098.db2.gz	XYMLSQYOIWXSED-UHFFFAOYSA-N	-1	0	375.341	0.965	20	5		GCBDRM
Cc1cc(NCCN2CCN(S(C)(=O)=O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000592969833	974976652	/nfs/dbraw/zinc/97/66/52/974976652.db2.gz	WSOQYECZTYGIHK-UHFFFAOYSA-N	-1	0	386.430	0.591	20	5		GCBDRM
O=C([O-])C[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000593922408	974987801	/nfs/dbraw/zinc/98/78/01/974987801.db2.gz	RIKHJSFIRZZZET-LLVKDONJSA-N	-1	0	385.398	0.729	20	5		GCBDRM
O=C([O-])C[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000593922427	974987856	/nfs/dbraw/zinc/98/78/56/974987856.db2.gz	RIKHJSFIRZZZET-NSHDSACASA-N	-1	0	385.398	0.729	20	5		GCBDRM
O=C([O-])C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1	ZINC000595249788	974993710	/nfs/dbraw/zinc/99/37/10/974993710.db2.gz	JXEXXCBSYPZBCG-LLVKDONJSA-N	-1	0	377.353	0.937	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C(=O)[O-])C1	ZINC000595246475	974993846	/nfs/dbraw/zinc/99/38/46/974993846.db2.gz	BLORCYHZMLVAFH-TZMCWYRMSA-N	-1	0	375.341	0.880	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600661696	975004387	/nfs/dbraw/zinc/00/43/87/975004387.db2.gz	YALGEKQYESHNKT-XLKFXECMSA-N	-1	0	392.361	0.995	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600661299	975004648	/nfs/dbraw/zinc/00/46/48/975004648.db2.gz	XUJFUORJSBLLHV-SNVBAGLBSA-N	-1	0	394.308	0.864	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600661693	975004657	/nfs/dbraw/zinc/00/46/57/975004657.db2.gz	YALGEKQYESHNKT-CLAHSXSESA-N	-1	0	392.361	0.995	20	5		GCBDRM
C[C@@](CC(=O)[O-])(NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1	ZINC001592282883	977590614	/nfs/dbraw/zinc/59/06/14/977590614.db2.gz	QVCOROUHBRFXDX-KRWDZBQOSA-N	-1	0	375.337	0.950	20	5		GCBDRM
C[C@H](CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-]	ZINC000736562052	978342941	/nfs/dbraw/zinc/34/29/41/978342941.db2.gz	NUMJIZBWLXXZBK-LLVKDONJSA-N	-1	0	399.425	0.927	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000738361203	978523587	/nfs/dbraw/zinc/52/35/87/978523587.db2.gz	KJBRKRSMDMHJBE-SNVBAGLBSA-N	-1	0	382.373	0.745	20	5		GCBDRM
O=C([O-])c1cn([C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)nn1	ZINC000818319141	978915631	/nfs/dbraw/zinc/91/56/31/978915631.db2.gz	FMYUZLBNGHZELM-MRVPVSSYSA-N	-1	0	375.297	0.700	20	5		GCBDRM
O=C([O-])c1cn([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)nn1	ZINC000818319898	978917248	/nfs/dbraw/zinc/91/72/48/978917248.db2.gz	MHBUMFDVYBPBCE-VIFPVBQESA-N	-1	0	389.324	0.743	20	5		GCBDRM
O=C([O-])C[C@@]1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCCOC1	ZINC000823342536	978932982	/nfs/dbraw/zinc/93/29/82/978932982.db2.gz	BHEIBJKRJISDIN-KRWDZBQOSA-N	-1	0	393.352	0.460	20	5		GCBDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000844220047	979384230	/nfs/dbraw/zinc/38/42/30/979384230.db2.gz	ZOUYIKIZISUHSW-YPMHNXCESA-N	-1	0	399.425	0.915	20	5		GCBDRM
C[C@H]1[C@H](C(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000844220046	979384238	/nfs/dbraw/zinc/38/42/38/979384238.db2.gz	ZOUYIKIZISUHSW-WCQYABFASA-N	-1	0	399.425	0.915	20	5		GCBDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000844220044	979384246	/nfs/dbraw/zinc/38/42/46/979384246.db2.gz	ZOUYIKIZISUHSW-AAEUAGOBSA-N	-1	0	399.425	0.915	20	5		GCBDRM
CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC001595174919	979759970	/nfs/dbraw/zinc/75/99/70/979759970.db2.gz	ZEYNEKMBFBQXEQ-LLVKDONJSA-N	-1	0	387.414	0.370	20	5		GCBDRM
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1	ZINC000864214614	979901601	/nfs/dbraw/zinc/90/16/01/979901601.db2.gz	LTRBGKNRKZLJJW-IAQYHMDHSA-N	-1	0	379.369	0.651	20	5		GCBDRM
CN(CC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1)c1ccccc1[N+](=O)[O-]	ZINC001118913917	982966829	/nfs/dbraw/zinc/96/68/29/982966829.db2.gz	NGAHHGIMRTVZLG-GOSISDBHSA-N	-1	0	392.412	0.419	20	5		GCBDRM
CCN(C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC001596145211	983500460	/nfs/dbraw/zinc/50/04/60/983500460.db2.gz	CQOVIZAFPXTUPR-JTQLQIEISA-N	-1	0	386.382	0.707	20	5		GCBDRM
CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001596574261	984472198	/nfs/dbraw/zinc/47/21/98/984472198.db2.gz	OIZMCIVOSWLICS-LLVKDONJSA-N	-1	0	394.384	0.926	20	5		GCBDRM
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001599895577	984748732	/nfs/dbraw/zinc/74/87/32/984748732.db2.gz	YCHZLRWKNAEZMN-RYUDHWBXSA-N	-1	0	392.412	0.905	20	5		GCBDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-]	ZINC001599899979	984802264	/nfs/dbraw/zinc/80/22/64/984802264.db2.gz	REXGLARWPCWYOQ-BQBZGAKWSA-N	-1	0	375.284	0.904	20	5		GCBDRM
C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C(=O)[O-])O1	ZINC001599912082	984998697	/nfs/dbraw/zinc/99/86/97/984998697.db2.gz	IBSBBGMNLFBGOR-DCAQKATOSA-N	-1	0	397.409	0.961	20	5		GCBDRM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC001594519606	985960649	/nfs/dbraw/zinc/96/06/49/985960649.db2.gz	AQKVFWYBGQKIQT-NSHDSACASA-N	-1	0	399.425	0.619	20	5		GCBDRM
C[C@@H]1CO[C@@H](C)CN1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001594532264	986130509	/nfs/dbraw/zinc/13/05/09/986130509.db2.gz	VRLBJGZGMAQUQV-MNOVXSKESA-N	-1	0	387.414	0.681	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCS(=O)(=O)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001594562049	986327693	/nfs/dbraw/zinc/32/76/93/986327693.db2.gz	NIFIJTFEPCTYHM-MNOVXSKESA-N	-1	0	399.425	0.669	20	5		GCBDRM
C[C@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1F	ZINC001589413650	986618187	/nfs/dbraw/zinc/61/81/87/986618187.db2.gz	ILYXMWDRTYXEAS-KKUKJKQGSA-N	-1	0	388.373	0.842	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001599793857	988059551	/nfs/dbraw/zinc/05/95/51/988059551.db2.gz	BGSXDOISSAUUBH-MPXOCVNLSA-N	-1	0	397.409	0.828	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001597563491	988316164	/nfs/dbraw/zinc/31/61/64/988316164.db2.gz	NVUBIFUHLKRYQY-RYUDHWBXSA-N	-1	0	386.382	0.652	20	5		GCBDRM
C[C@@H](O)[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001599845458	988922868	/nfs/dbraw/zinc/92/28/68/988922868.db2.gz	ONTKUAZYIKUAHB-ANLVUFKYSA-N	-1	0	394.121	0.763	20	5		GCBDRM
CCn1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1=O	ZINC001597911842	989813072	/nfs/dbraw/zinc/81/30/72/989813072.db2.gz	QBPLEUIRZWILGQ-UHFFFAOYSA-N	-1	0	381.366	0.953	20	5		GCBDRM
CC(C)(NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H](O)C(=O)[O-]	ZINC001590879051	990789755	/nfs/dbraw/zinc/78/97/55/990789755.db2.gz	HAHBWOYXMYBGKA-SECBINFHSA-N	-1	0	397.203	0.860	20	5		GCBDRM
CC(C)(NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001590879178	990791085	/nfs/dbraw/zinc/79/10/85/990791085.db2.gz	OHIVXDTXJKDXFE-SECBINFHSA-N	-1	0	397.203	0.860	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001598264867	991104944	/nfs/dbraw/zinc/10/49/44/991104944.db2.gz	AHOPJOIYJVSXCK-UHFFFAOYSA-N	-1	0	386.430	0.607	20	5		GCBDRM
CN(CC(=O)N1CC2CC1(C(=O)[O-])C2)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598379372	991574249	/nfs/dbraw/zinc/57/42/49/991574249.db2.gz	QMBJHNNUGOYPPG-UHFFFAOYSA-N	-1	0	383.382	0.291	20	5		GCBDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001599763248	992150802	/nfs/dbraw/zinc/15/08/02/992150802.db2.gz	WZWVLFCIVISDAA-GXFFZTMASA-N	-1	0	392.336	0.691	20	5		GCBDRM
CN1C(=O)NCC12CCN(S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)CC2	ZINC001598556057	993057958	/nfs/dbraw/zinc/05/79/58/993057958.db2.gz	ASBMWKZUXQNXRC-UHFFFAOYSA-N	-1	0	398.397	0.471	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC001598564685	993128900	/nfs/dbraw/zinc/12/89/00/993128900.db2.gz	JXOWZDSQAQVPJZ-LLVKDONJSA-N	-1	0	385.760	0.771	20	5		GCBDRM
CN([C@H]1CCCCN(C)C1=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001598599018	993548820	/nfs/dbraw/zinc/54/88/20/993548820.db2.gz	PTCGHXSQGVSTIU-LBPRGKRZSA-N	-1	0	385.398	0.924	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593171366	994030661	/nfs/dbraw/zinc/03/06/61/994030661.db2.gz	UBUMTPFQUFFURY-OCCSQVGLSA-N	-1	0	392.412	0.709	20	5		GCBDRM
CNC(=O)NC[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCO1	ZINC001598654001	994491484	/nfs/dbraw/zinc/49/14/84/994491484.db2.gz	YUNLQZLXYALCSL-LBPRGKRZSA-N	-1	0	382.373	0.188	20	5		GCBDRM
CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001598672341	994778417	/nfs/dbraw/zinc/77/84/17/994778417.db2.gz	ZBKMGARTSCYKHQ-SNVBAGLBSA-N	-1	0	385.398	0.694	20	5		GCBDRM
CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001598672340	994778601	/nfs/dbraw/zinc/77/86/01/994778601.db2.gz	ZBKMGARTSCYKHQ-JTQLQIEISA-N	-1	0	385.398	0.694	20	5		GCBDRM
C[C@](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593318735	994838407	/nfs/dbraw/zinc/83/84/07/994838407.db2.gz	JYDIMESYXWSKEU-CZUORRHYSA-N	-1	0	397.409	0.577	20	5		GCBDRM
COC(=O)[C@@H](CCC(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC001598698583	995183657	/nfs/dbraw/zinc/18/36/57/995183657.db2.gz	MBDCUVLAASLEHK-SNVBAGLBSA-N	-1	0	385.398	0.821	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC001598765199	995822838	/nfs/dbraw/zinc/82/28/38/995822838.db2.gz	HXFCSPJROWMFBD-FZMZJTMJSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC001598765300	995824312	/nfs/dbraw/zinc/82/43/12/995824312.db2.gz	BADNOVSMPPDJMZ-SWLSCSKDSA-N	-1	0	391.380	0.822	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001598767090	995844474	/nfs/dbraw/zinc/84/44/74/995844474.db2.gz	IEBGPPDWJZTESK-SCRDCRAPSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC001598778367	995955124	/nfs/dbraw/zinc/95/51/24/995955124.db2.gz	DSFDILTVKIVCNR-ZWNOBZJWSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC001598778634	995958111	/nfs/dbraw/zinc/95/81/11/995958111.db2.gz	OVHULGDSCVWMPR-DGCLKSJQSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC001598778638	995958169	/nfs/dbraw/zinc/95/81/69/995958169.db2.gz	OVHULGDSCVWMPR-YPMHNXCESA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC001598783409	996007837	/nfs/dbraw/zinc/00/78/37/996007837.db2.gz	CSIIETIFMSYSBP-KWQFWETISA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC001598785687	996027342	/nfs/dbraw/zinc/02/73/42/996027342.db2.gz	RCJNWAGOZLYGOB-YPMHNXCESA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC001598785684	996027367	/nfs/dbraw/zinc/02/73/67/996027367.db2.gz	RCJNWAGOZLYGOB-AAEUAGOBSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C(=O)[O-])C1	ZINC001598797185	996116075	/nfs/dbraw/zinc/11/60/75/996116075.db2.gz	CQCVEESXWASLLG-PWSUYJOCSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C(=O)[O-])C1	ZINC001598797183	996116447	/nfs/dbraw/zinc/11/64/47/996116447.db2.gz	CQCVEESXWASLLG-JQWIXIFHSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1C(=O)[O-]	ZINC001598806582	996192911	/nfs/dbraw/zinc/19/29/11/996192911.db2.gz	GZJOHZHKSXGURC-OLZOCXBDSA-N	-1	0	375.337	0.882	20	5		GCBDRM
COC(=O)[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C(=O)[O-]	ZINC001598808580	996209981	/nfs/dbraw/zinc/20/99/81/996209981.db2.gz	NHBPYNHJQCRHHJ-NWDGAFQWSA-N	-1	0	381.341	0.619	20	5		GCBDRM
COC(=O)[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C(=O)[O-]	ZINC001598808585	996210767	/nfs/dbraw/zinc/21/07/67/996210767.db2.gz	NHBPYNHJQCRHHJ-RYUDHWBXSA-N	-1	0	381.341	0.619	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C(=O)[O-]	ZINC001598824921	996371788	/nfs/dbraw/zinc/37/17/88/996371788.db2.gz	ITTFBJCSDAHWGA-GHMZBOCLSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598825744	996380299	/nfs/dbraw/zinc/38/02/99/996380299.db2.gz	LHTRFKULEVWUCN-WDEREUQCSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598825748	996380554	/nfs/dbraw/zinc/38/05/54/996380554.db2.gz	LKTAGYBPVXVUHO-RKDXNWHRSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)CC[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC001598848110	996582057	/nfs/dbraw/zinc/58/20/57/996582057.db2.gz	PDYYTVYUHZDPMP-SNVBAGLBSA-N	-1	0	385.398	0.821	20	5		GCBDRM
CO[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@](C)(C(=O)[O-])C1	ZINC001599133240	997990227	/nfs/dbraw/zinc/99/02/27/997990227.db2.gz	LMHRZNJAUWVIDA-RFAUZJTJSA-N	-1	0	386.382	0.703	20	5		GCBDRM
CO[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@](C)(C(=O)[O-])C1	ZINC001599133245	997991173	/nfs/dbraw/zinc/99/11/73/997991173.db2.gz	LMHRZNJAUWVIDA-VFZGTOFNSA-N	-1	0	386.382	0.703	20	5		GCBDRM
COCCNC(=O)CN1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001599242235	998065093	/nfs/dbraw/zinc/06/50/93/998065093.db2.gz	KMXKYEDOZNMLCT-UHFFFAOYSA-N	-1	0	380.401	0.173	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC001599066860	999304633	/nfs/dbraw/zinc/30/46/33/999304633.db2.gz	ZOTFSMODOWVGFO-HWPZZCPQSA-N	-1	0	381.341	0.495	20	5		GCBDRM
C[C@H]1CCCN(c2ccc(C(=O)NCC(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001594389958	999478076	/nfs/dbraw/zinc/47/80/76/999478076.db2.gz	ZLQKOQAQKZNTGL-NSHDSACASA-N	-1	0	378.385	0.762	20	5		GCBDRM
C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC[S@]1=O	ZINC001594431568	999605902	/nfs/dbraw/zinc/60/59/02/999605902.db2.gz	BCWAGUJIXJYNJN-YGWIHHTISA-N	-1	0	376.412	0.825	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000598583877	530138198	/nfs/dbraw/zinc/13/81/98/530138198.db2.gz	GFYRLIBLSHRSKO-DJNLSKAYSA-N	-1	0	376.412	0.418	20	5		GCBDRM
O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000537769043	530198163	/nfs/dbraw/zinc/19/81/63/530198163.db2.gz	RCZJNECWAPLYTO-UHFFFAOYSA-N	-1	0	385.130	0.964	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCCCC2)n1	ZINC000599342600	530161615	/nfs/dbraw/zinc/16/16/15/530161615.db2.gz	SPMIPQKHYSMJQR-UHFFFAOYSA-N	-1	0	380.448	0.354	20	5		GCBDRM
NC(=O)[C@]1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1	ZINC000579494970	530187021	/nfs/dbraw/zinc/18/70/21/530187021.db2.gz	IADIZAGCCCFZBI-NSHDSACASA-N	-1	0	384.197	0.824	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000611165198	530234823	/nfs/dbraw/zinc/23/48/23/530234823.db2.gz	UMXBFHNASCKTFZ-VIFPVBQESA-N	-1	0	395.187	0.831	20	5		GCBDRM
NC(=O)c1cc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH]n1	ZINC000611164881	530234854	/nfs/dbraw/zinc/23/48/54/530234854.db2.gz	IZGTYFYMKOXXBA-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
CS(=O)(=O)CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC000518526319	530210920	/nfs/dbraw/zinc/21/09/20/530210920.db2.gz	VXKQYXWKWDTKJG-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
CC(C)(C(=O)Nc1nnc([N-]S(C)(=O)=O)s1)n1cc([N+](=O)[O-])cn1	ZINC000517827386	530222199	/nfs/dbraw/zinc/22/21/99/530222199.db2.gz	YLJZQGAAIPCWGM-UHFFFAOYSA-N	-1	0	375.392	0.388	20	5		GCBDRM
NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]n1	ZINC000611497923	530266693	/nfs/dbraw/zinc/26/66/93/530266693.db2.gz	CTOUPJRUUZSNFO-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
COC[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000614363968	530309776	/nfs/dbraw/zinc/30/97/76/530309776.db2.gz	DDJUTXFXGKSPSJ-SSDOTTSWSA-N	-1	0	383.176	0.735	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000580266992	530323637	/nfs/dbraw/zinc/32/36/37/530323637.db2.gz	JUKUKVWYJWMRAC-DAOPMYJZSA-N	-1	0	376.412	0.418	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1(S(C)(=O)=O)CC1	ZINC000580652101	530324260	/nfs/dbraw/zinc/32/42/60/530324260.db2.gz	ZDHFPMGEPPRIHO-MRVPVSSYSA-N	-1	0	392.411	0.537	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000582358151	530327015	/nfs/dbraw/zinc/32/70/15/530327015.db2.gz	HJTCXDCZDBPGGO-QMMMGPOBSA-N	-1	0	378.384	0.149	20	5		GCBDRM
O=c1nc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[n-]o1	ZINC000290235417	530348042	/nfs/dbraw/zinc/34/80/42/530348042.db2.gz	YJDLTMYYRRDLLR-UHFFFAOYSA-N	-1	0	382.276	0.811	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000564458139	530350510	/nfs/dbraw/zinc/35/05/10/530350510.db2.gz	OUDPZFCWWMEGMH-LBPRGKRZSA-N	-1	0	392.411	0.030	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000564208403	530350704	/nfs/dbraw/zinc/35/07/04/530350704.db2.gz	GEQVEQITAIZYJL-NSHDSACASA-N	-1	0	384.288	0.981	20	5		GCBDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000564920742	530351133	/nfs/dbraw/zinc/35/11/33/530351133.db2.gz	YKKJRYJSVFGOSG-IUCAKERBSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCS(=O)(=O)[C@H]2COCC[C@@H]21	ZINC000583265600	530352873	/nfs/dbraw/zinc/35/28/73/530352873.db2.gz	OMKBCYCRUCYMQB-JQWIXIFHSA-N	-1	0	390.801	0.982	20	5		GCBDRM
CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000583438588	530353322	/nfs/dbraw/zinc/35/33/22/530353322.db2.gz	SMKHRSYRCXKGSP-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
NS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000590445214	530373864	/nfs/dbraw/zinc/37/38/64/530373864.db2.gz	KFWIIMMITVZDNQ-ZETCQYMHSA-N	-1	0	378.794	0.808	20	5		GCBDRM
NS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000590445209	530374042	/nfs/dbraw/zinc/37/40/42/530374042.db2.gz	KFWIIMMITVZDNQ-SSDOTTSWSA-N	-1	0	378.794	0.808	20	5		GCBDRM
CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000584527273	530387613	/nfs/dbraw/zinc/38/76/13/530387613.db2.gz	BJTMFPJBCXGDNZ-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000566676625	530394508	/nfs/dbraw/zinc/39/45/08/530394508.db2.gz	SOVAFRAHEBBXJN-QMMMGPOBSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CN(CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1)c1ccccc1[N+](=O)[O-]	ZINC000266312120	530481936	/nfs/dbraw/zinc/48/19/36/530481936.db2.gz	WXTGHJRZDWOSGM-UHFFFAOYSA-N	-1	0	386.415	0.893	20	5		GCBDRM
CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000570088974	530500953	/nfs/dbraw/zinc/50/09/53/530500953.db2.gz	SVOLOSOMHAZNSM-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
CCn1cc(S(=O)(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c([N+](=O)[O-])n1	ZINC000568745029	530492801	/nfs/dbraw/zinc/49/28/01/530492801.db2.gz	NXEFIXYHVRWEKT-SNVBAGLBSA-N	-1	0	376.391	0.456	20	5		GCBDRM
CCn1cc(S(=O)(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c([N+](=O)[O-])n1	ZINC000568745028	530493064	/nfs/dbraw/zinc/49/30/64/530493064.db2.gz	NXEFIXYHVRWEKT-JTQLQIEISA-N	-1	0	376.391	0.456	20	5		GCBDRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000266374501	530493650	/nfs/dbraw/zinc/49/36/50/530493650.db2.gz	WDBFWUKYRATBGQ-LLVKDONJSA-N	-1	0	386.411	0.952	20	5		GCBDRM
CS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000326455225	530506007	/nfs/dbraw/zinc/50/60/07/530506007.db2.gz	KAYFYJARDHJGPG-JTQLQIEISA-N	-1	0	378.428	0.746	20	5		GCBDRM
COc1cc(CCNS(=O)(=O)CCCC(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000571079836	530506695	/nfs/dbraw/zinc/50/66/95/530506695.db2.gz	GMJZXEFSOFUSFN-UHFFFAOYSA-N	-1	0	376.387	0.939	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c([N+](=O)[O-])n1	ZINC000571310891	530506991	/nfs/dbraw/zinc/50/69/91/530506991.db2.gz	PQJJJILSVAWESG-JTQLQIEISA-N	-1	0	386.308	0.839	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000571407450	530507174	/nfs/dbraw/zinc/50/71/74/530507174.db2.gz	AAFRVMMCULNXNM-DNKNOMGSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000574573076	530515789	/nfs/dbraw/zinc/51/57/89/530515789.db2.gz	XKXOOSHXUALYMV-WRWORJQWSA-N	-1	0	378.334	0.511	20	5		GCBDRM
COCCNC(=O)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000066569219	530559233	/nfs/dbraw/zinc/55/92/33/530559233.db2.gz	DOYJMCYBLDYFDX-UHFFFAOYSA-N	-1	0	396.219	0.398	20	5		GCBDRM
NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000548253080	530665258	/nfs/dbraw/zinc/66/52/58/530665258.db2.gz	CHBNUYGJIZCYMK-OIBJUYFYSA-N	-1	0	375.334	0.073	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C	ZINC000276626368	530668807	/nfs/dbraw/zinc/66/88/07/530668807.db2.gz	VOBPQGJQYLWMOV-UHFFFAOYSA-N	-1	0	381.432	0.627	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000591243745	530709728	/nfs/dbraw/zinc/70/97/28/530709728.db2.gz	DAOKTNUPYWKCTA-NSHDSACASA-N	-1	0	392.411	0.084	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000593314053	530800048	/nfs/dbraw/zinc/80/00/48/530800048.db2.gz	GUHAXDPNCDRKCN-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C(F)F	ZINC000554018042	530816016	/nfs/dbraw/zinc/81/60/16/530816016.db2.gz	ZJXGMIUOKGVVDE-IUCAKERBSA-N	-1	0	378.357	0.826	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1	ZINC000273756745	530817905	/nfs/dbraw/zinc/81/79/05/530817905.db2.gz	VUABHJSAHQUMOG-QMMMGPOBSA-N	-1	0	378.384	0.006	20	5		GCBDRM
O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000275084988	530822607	/nfs/dbraw/zinc/82/26/07/530822607.db2.gz	NWKJNAXDDMJIBZ-ZETCQYMHSA-N	-1	0	383.176	0.471	20	5		GCBDRM
COCCCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000521630278	530849799	/nfs/dbraw/zinc/84/97/99/530849799.db2.gz	FANFRSMTKCHPDC-UHFFFAOYSA-N	-1	0	376.387	0.967	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1	ZINC000275100968	530854491	/nfs/dbraw/zinc/85/44/91/530854491.db2.gz	QOVZBDKYYZWYES-ZETCQYMHSA-N	-1	0	379.778	0.554	20	5		GCBDRM
NC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1	ZINC000377884624	530902528	/nfs/dbraw/zinc/90/25/28/530902528.db2.gz	PDMDLNJHUGKLDG-UHFFFAOYSA-N	-1	0	381.769	0.700	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c([N+](=O)[O-])n1	ZINC000535234787	530903706	/nfs/dbraw/zinc/90/37/06/530903706.db2.gz	SDERHMHHBOPZEI-UHFFFAOYSA-N	-1	0	389.415	0.984	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)c([N+](=O)[O-])n1	ZINC000534498520	530904092	/nfs/dbraw/zinc/90/40/92/530904092.db2.gz	CZTPRRVCWRXBPC-UHFFFAOYSA-N	-1	0	389.415	0.568	20	5		GCBDRM
O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000274887593	530905459	/nfs/dbraw/zinc/90/54/59/530905459.db2.gz	FHMRMEJREZVCGD-SSDOTTSWSA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000274911784	530905785	/nfs/dbraw/zinc/90/57/85/530905785.db2.gz	KVXKWDAZWRFNAV-QMMMGPOBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000274952297	530906520	/nfs/dbraw/zinc/90/65/20/530906520.db2.gz	AMUVVFQDFIITND-VIFPVBQESA-N	-1	0	398.802	0.121	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000275004346	530906606	/nfs/dbraw/zinc/90/66/06/530906606.db2.gz	ORIYHVNYXGJJRP-QMMMGPOBSA-N	-1	0	391.789	0.460	20	5		GCBDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275091061	530907027	/nfs/dbraw/zinc/90/70/27/530907027.db2.gz	OZCNDLLWRPXIOR-ANLVUFKYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000275195798	530907295	/nfs/dbraw/zinc/90/72/95/530907295.db2.gz	YJVTXTSQIVDDSD-JTQLQIEISA-N	-1	0	395.187	0.831	20	5		GCBDRM
O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000275268913	530908065	/nfs/dbraw/zinc/90/80/65/530908065.db2.gz	MZCRLMPEOVNVCJ-ZCFIWIBFSA-N	-1	0	382.297	0.753	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275352897	530908629	/nfs/dbraw/zinc/90/86/29/530908629.db2.gz	WMAJWOAIDZMKBA-VIFPVBQESA-N	-1	0	376.343	0.288	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000548556489	530881838	/nfs/dbraw/zinc/88/18/38/530881838.db2.gz	NLTTUGRWJUJYCP-MRVPVSSYSA-N	-1	0	391.789	0.460	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594778645	530881976	/nfs/dbraw/zinc/88/19/76/530881976.db2.gz	REFZPFPTZRERRW-MNOVXSKESA-N	-1	0	392.459	0.376	20	5		GCBDRM
CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000548561989	530882505	/nfs/dbraw/zinc/88/25/05/530882505.db2.gz	DAENEDIAELQJNC-JTQLQIEISA-N	-1	0	378.407	0.559	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000548566740	530883395	/nfs/dbraw/zinc/88/33/95/530883395.db2.gz	MFLDAAYIWQYVGM-APPZFPTMSA-N	-1	0	395.187	0.566	20	5		GCBDRM
O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548585856	530883480	/nfs/dbraw/zinc/88/34/80/530883480.db2.gz	QKQNWMGGOYGORP-CLTRCRFRSA-N	-1	0	382.803	0.454	20	5		GCBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424249105	530888623	/nfs/dbraw/zinc/88/86/23/530888623.db2.gz	SULOOEPVKCFZFE-CABZTGNLSA-N	-1	0	388.423	0.786	20	5		GCBDRM
Cc1c(Br)c(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ncc1[N+](=O)[O-]	ZINC000424470425	530889438	/nfs/dbraw/zinc/88/94/38/530889438.db2.gz	LOOKJVAZAVBUND-QMMMGPOBSA-N	-1	0	394.203	0.749	20	5		GCBDRM
CO[C@@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-]	ZINC000530382647	530894891	/nfs/dbraw/zinc/89/48/91/530894891.db2.gz	ZGMKIVWVCYUJBH-MRVPVSSYSA-N	-1	0	376.343	0.134	20	5		GCBDRM
COC(=O)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)OC	ZINC000427243647	530895197	/nfs/dbraw/zinc/89/51/97/530895197.db2.gz	RLZVFWIVKJNRDB-SNVBAGLBSA-N	-1	0	376.343	0.068	20	5		GCBDRM
O=C([O-])[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCOC1	ZINC000374444975	530895525	/nfs/dbraw/zinc/89/55/25/530895525.db2.gz	WVIYIYGNIAPZRX-NSHDSACASA-N	-1	0	395.187	0.879	20	5		GCBDRM
O=C([O-])[C@]1(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1	ZINC000374444802	530895554	/nfs/dbraw/zinc/89/55/54/530895554.db2.gz	WEFVOJKBTLVRJQ-NSHDSACASA-N	-1	0	395.187	0.879	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC000275211766	530896611	/nfs/dbraw/zinc/89/66/11/530896611.db2.gz	ZTXXYLBFRPMNKN-LLVKDONJSA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1nc(CN([C@@H](C)C(=O)[O-])S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cs1	ZINC000600655144	530931374	/nfs/dbraw/zinc/93/13/74/530931374.db2.gz	JNKQYQXOBNMVQV-ZETCQYMHSA-N	-1	0	389.415	0.757	20	5		GCBDRM
O=C([O-])CN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000275270829	530932471	/nfs/dbraw/zinc/93/24/71/530932471.db2.gz	JVYYYIOHVNISGG-UHFFFAOYSA-N	-1	0	383.176	0.425	20	5		GCBDRM
COC(=O)Nc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000277192102	530913294	/nfs/dbraw/zinc/91/32/94/530913294.db2.gz	DJLLQSFSVVTBTQ-JTQLQIEISA-N	-1	0	391.383	0.921	20	5		GCBDRM
CS(=O)(=O)CC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC000520575480	530915849	/nfs/dbraw/zinc/91/58/49/530915849.db2.gz	OXISLSKJYIHRPZ-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
CC(C)(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1F	ZINC000281979637	530922462	/nfs/dbraw/zinc/92/24/62/530922462.db2.gz	GBORVYJCSPDKOE-UHFFFAOYSA-N	-1	0	375.378	0.594	20	5		GCBDRM
CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000604037386	530937256	/nfs/dbraw/zinc/93/72/56/530937256.db2.gz	XUIJTJXIAXYRBR-SNVBAGLBSA-N	-1	0	393.443	0.393	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1	ZINC000505843492	530939444	/nfs/dbraw/zinc/93/94/44/530939444.db2.gz	YWXWYIRYUXSRPJ-QMMMGPOBSA-N	-1	0	392.411	0.537	20	5		GCBDRM
CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000269840140	530947706	/nfs/dbraw/zinc/94/77/06/530947706.db2.gz	BNRQJZRFJWSCNQ-SECBINFHSA-N	-1	0	381.407	0.436	20	5		GCBDRM
COCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000275031095	530996147	/nfs/dbraw/zinc/99/61/47/530996147.db2.gz	FQQXDNGQSQRGRI-JTQLQIEISA-N	-1	0	376.343	0.149	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000275018108	530990006	/nfs/dbraw/zinc/99/00/06/530990006.db2.gz	CUIOLCNUZNWGHA-QMMMGPOBSA-N	-1	0	379.778	0.554	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000547928962	531020541	/nfs/dbraw/zinc/02/05/41/531020541.db2.gz	KUIVUQATZMWMEZ-LBPRGKRZSA-N	-1	0	392.411	0.084	20	5		GCBDRM
O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000547928599	531020801	/nfs/dbraw/zinc/02/08/01/531020801.db2.gz	HUSYWARXRFXSFS-GTUYJWLHSA-N	-1	0	382.803	0.454	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1C	ZINC000547930589	531020965	/nfs/dbraw/zinc/02/09/65/531020965.db2.gz	TUZZGSARVPMEDC-RULNZOCKSA-N	-1	0	376.412	0.418	20	5		GCBDRM
CCN(CC)S(=O)(=O)c1ccc(NC[C@@](C)(O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000416432203	531023883	/nfs/dbraw/zinc/02/38/83/531023883.db2.gz	DNMLEYITLORXLZ-CQSZACIVSA-N	-1	0	375.403	0.873	20	5		GCBDRM
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000576515613	531045713	/nfs/dbraw/zinc/04/57/13/531045713.db2.gz	UJVVAVNYXHPNMU-QMMMGPOBSA-N	-1	0	380.400	0.347	20	5		GCBDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000548233888	531088811	/nfs/dbraw/zinc/08/88/11/531088811.db2.gz	CYUKKRIGJQIUON-VIFPVBQESA-N	-1	0	376.343	0.086	20	5		GCBDRM
COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn1	ZINC000737105474	599039533	/nfs/dbraw/zinc/03/95/33/599039533.db2.gz	HNZMQONQAFRYJE-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000737284833	599152723	/nfs/dbraw/zinc/15/27/23/599152723.db2.gz	NGKUKONWDCBCER-UHFFFAOYSA-N	-1	0	389.353	0.597	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2nn[nH]n2)nc1	ZINC000738140325	599155556	/nfs/dbraw/zinc/15/55/56/599155556.db2.gz	RIHUBLIMQWKTLZ-UHFFFAOYSA-N	-1	0	381.355	0.350	20	5		GCBDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc(Cl)cc2[N+](=O)[O-])c1=O	ZINC000736713224	599157486	/nfs/dbraw/zinc/15/74/86/599157486.db2.gz	IVSQWEDKHHCEAC-UHFFFAOYSA-N	-1	0	377.748	0.820	20	5		GCBDRM
O=C([O-])CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000414614104	597293658	/nfs/dbraw/zinc/29/36/58/597293658.db2.gz	SYUJHGYDUWHSNP-UHFFFAOYSA-N	-1	0	386.386	0.085	20	5		GCBDRM
COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCO[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000591325379	597441168	/nfs/dbraw/zinc/44/11/68/597441168.db2.gz	JZAKNMSHKATAMZ-RNCFNFMXSA-N	-1	0	381.341	0.176	20	5		GCBDRM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262732010	597466888	/nfs/dbraw/zinc/46/68/88/597466888.db2.gz	CEFKELSVQVJBET-GWCFXTLKSA-N	-1	0	385.398	0.679	20	5		GCBDRM
CSc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000738146910	597497538	/nfs/dbraw/zinc/49/75/38/597497538.db2.gz	WGHAEPIZJHOPFS-SSDOTTSWSA-N	-1	0	378.384	0.611	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC000819753147	597686161	/nfs/dbraw/zinc/68/61/61/597686161.db2.gz	QWVADGFTIUTTSO-SSDOTTSWSA-N	-1	0	381.370	0.651	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1	ZINC000274986843	597699089	/nfs/dbraw/zinc/69/90/89/597699089.db2.gz	DSBLGOCCRZHMEO-SECBINFHSA-N	-1	0	391.377	0.642	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000262405344	597699539	/nfs/dbraw/zinc/69/95/39/597699539.db2.gz	KROONQSTESVZBA-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
O=C([O-])CNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	ZINC000272658865	599708285	/nfs/dbraw/zinc/70/82/85/599708285.db2.gz	SAINFWURUDCHJH-UHFFFAOYSA-N	-1	0	390.318	0.936	20	5		GCBDRM
O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000739636210	599723529	/nfs/dbraw/zinc/72/35/29/599723529.db2.gz	CVJNTYFONIJBMH-VIFPVBQESA-N	-1	0	377.762	0.212	20	5		GCBDRM
C[C@@H](CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000262564269	599773687	/nfs/dbraw/zinc/77/36/87/599773687.db2.gz	ZPRAVZGOXURDGX-SMDDNHRTSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CC1(C)COCCN1CCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000736737559	599874037	/nfs/dbraw/zinc/87/40/37/599874037.db2.gz	RSFMZAYNIKJKFU-UHFFFAOYSA-N	-1	0	380.401	0.932	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCN1CCOCC1)CC(=O)[O-]	ZINC000738665134	600146005	/nfs/dbraw/zinc/14/60/05/600146005.db2.gz	REVBKTGHXVDIDY-UHFFFAOYSA-N	-1	0	380.401	0.561	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NCCN2CCOC[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655896	600161942	/nfs/dbraw/zinc/16/19/42/600161942.db2.gz	GLTQZBXHPAODKB-NWDGAFQWSA-N	-1	0	380.401	0.930	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000739319156	600172714	/nfs/dbraw/zinc/17/27/14/600172714.db2.gz	HBWBHNVCUVGJIT-RKDXNWHRSA-N	-1	0	380.309	0.959	20	5		GCBDRM
O=C([O-])Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n[nH]1	ZINC000739900396	600181353	/nfs/dbraw/zinc/18/13/53/600181353.db2.gz	JOSKELLJSJPYLU-ZETCQYMHSA-N	-1	0	394.369	0.645	20	5		GCBDRM
O=C([O-])CSCCNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000739857884	600321763	/nfs/dbraw/zinc/32/17/63/600321763.db2.gz	RJZPPKDQTRAUCR-UHFFFAOYSA-N	-1	0	399.381	0.629	20	5		GCBDRM
O=C([O-])c1ccnc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000739250113	600432260	/nfs/dbraw/zinc/43/22/60/600432260.db2.gz	AJPHAJGXPLYZAB-UHFFFAOYSA-N	-1	0	394.365	0.995	20	5		GCBDRM
O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000739715528	600490819	/nfs/dbraw/zinc/49/08/19/600490819.db2.gz	HQRZDGIQHDZXDT-LBPRGKRZSA-N	-1	0	393.352	0.985	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCCN(C(N)=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736656336	600502855	/nfs/dbraw/zinc/50/28/55/600502855.db2.gz	JVGKNSBWZIULAM-SNVBAGLBSA-N	-1	0	379.373	0.389	20	5		GCBDRM
O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000261721186	600537141	/nfs/dbraw/zinc/53/71/41/600537141.db2.gz	FFDBMNWUTJGNDU-BXUZGUMPSA-N	-1	0	397.409	0.681	20	5		GCBDRM
C[C@@H](CN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000736568523	600594460	/nfs/dbraw/zinc/59/44/60/600594460.db2.gz	BSVLJIDOYINIGS-VIFPVBQESA-N	-1	0	388.402	0.223	20	5		GCBDRM
C[C@H](C(=O)N[C@@](C)(C(=O)[O-])C1CC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000736212502	600617392	/nfs/dbraw/zinc/61/73/92/600617392.db2.gz	SYHRJONFSZZDCW-CQLKUDPESA-N	-1	0	375.337	0.949	20	5		GCBDRM
C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000827810836	600656583	/nfs/dbraw/zinc/65/65/83/600656583.db2.gz	QWWZRUNSKFQPIY-SNVBAGLBSA-N	-1	0	382.373	0.781	20	5		GCBDRM
O=C([O-])C[C@@H]1CSCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262504125	600671443	/nfs/dbraw/zinc/67/14/43/600671443.db2.gz	IUQHQDSUKHXQOB-LLVKDONJSA-N	-1	0	395.393	0.739	20	5		GCBDRM
C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCC(=O)[O-]	ZINC000827825521	600676439	/nfs/dbraw/zinc/67/64/39/600676439.db2.gz	GIXFRMNHINKJJX-BDAKNGLRSA-N	-1	0	399.381	0.393	20	5		GCBDRM
C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCC(=O)[O-]	ZINC000827825524	600676495	/nfs/dbraw/zinc/67/64/95/600676495.db2.gz	GIXFRMNHINKJJX-RKDXNWHRSA-N	-1	0	399.381	0.393	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(C(=O)NCCO)CC1	ZINC000833307419	600811307	/nfs/dbraw/zinc/81/13/07/600811307.db2.gz	LXVZEEBFTMFLIR-UHFFFAOYSA-N	-1	0	382.329	0.526	20	5		GCBDRM
CCOCCN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C	ZINC000830011700	600812486	/nfs/dbraw/zinc/81/24/86/600812486.db2.gz	LROVJFTZTUQNPE-ZDUSSCGKSA-N	-1	0	394.428	0.956	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000833252171	600819384	/nfs/dbraw/zinc/81/93/84/600819384.db2.gz	FXPDPSKRZAWSNR-CYBMUJFWSA-N	-1	0	392.412	0.568	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000833252617	600822139	/nfs/dbraw/zinc/82/21/39/600822139.db2.gz	RVWBDZHYBWYEEV-CYBMUJFWSA-N	-1	0	378.385	0.320	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000833109043	600909469	/nfs/dbraw/zinc/90/94/69/600909469.db2.gz	YJBKZNHSOOLONA-OAHLLOKOSA-N	-1	0	387.352	0.731	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000833109042	600909521	/nfs/dbraw/zinc/90/95/21/600909521.db2.gz	YJBKZNHSOOLONA-HNNXBMFYSA-N	-1	0	387.352	0.731	20	5		GCBDRM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000272445026	600909761	/nfs/dbraw/zinc/90/97/61/600909761.db2.gz	FJVZWEDBFVPVPL-NWDGAFQWSA-N	-1	0	399.425	0.880	20	5		GCBDRM
C[C@@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1	ZINC000828175598	600937672	/nfs/dbraw/zinc/93/76/72/600937672.db2.gz	CRLDCHDQIDQZLU-OTYXRUKQSA-N	-1	0	387.352	0.950	20	5		GCBDRM
Cn1cc(S(=O)(=O)NCCOC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000833052881	601064788	/nfs/dbraw/zinc/06/47/88/601064788.db2.gz	KJXDFOACCZDEOL-UHFFFAOYSA-N	-1	0	398.353	0.162	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000833122714	601069324	/nfs/dbraw/zinc/06/93/24/601069324.db2.gz	KFEIBOOQAIHCCV-SNVBAGLBSA-N	-1	0	379.354	0.473	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1=O	ZINC000833103811	601069339	/nfs/dbraw/zinc/06/93/39/601069339.db2.gz	HPFAMBKDZRLSHO-LLVKDONJSA-N	-1	0	393.381	0.863	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000833005225	601070248	/nfs/dbraw/zinc/07/02/48/601070248.db2.gz	SFIQBBUKBCUWHE-JTQLQIEISA-N	-1	0	393.381	0.781	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccn1	ZINC000739273248	601124524	/nfs/dbraw/zinc/12/45/24/601124524.db2.gz	GJJUNIHAAPASSU-MRXNPFEDSA-N	-1	0	386.320	0.657	20	5		GCBDRM
C[C@@]1([C@@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)NC(=O)NC1=O	ZINC000828087978	601245174	/nfs/dbraw/zinc/24/51/74/601245174.db2.gz	GCDWQSVZDILGQV-DIFFPNOSSA-N	-1	0	390.352	0.743	20	5		GCBDRM
CC(=O)N[C@H]1CCCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000825870734	601249263	/nfs/dbraw/zinc/24/92/63/601249263.db2.gz	AKRNWFJRNJAKMI-GWCFXTLKSA-N	-1	0	378.385	0.903	20	5		GCBDRM
Cn1cc([C@@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833044145	601254317	/nfs/dbraw/zinc/25/43/17/601254317.db2.gz	RFHHSAIEXYUJKL-HNNXBMFYSA-N	-1	0	389.368	0.721	20	5		GCBDRM
C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1	ZINC000827386680	601259294	/nfs/dbraw/zinc/25/92/94/601259294.db2.gz	WGIGDYDYPBQGAJ-SNVBAGLBSA-N	-1	0	375.378	0.903	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccn1	ZINC000485662039	601280339	/nfs/dbraw/zinc/28/03/39/601280339.db2.gz	NAZVZYYFBCUHNB-UHFFFAOYSA-N	-1	0	394.365	0.396	20	5		GCBDRM
C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000828485187	601289392	/nfs/dbraw/zinc/28/93/92/601289392.db2.gz	DXDOHDVGZKPFGM-TVQRCGJNSA-N	-1	0	385.398	0.693	20	5		GCBDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C	ZINC000831563907	601295333	/nfs/dbraw/zinc/29/53/33/601295333.db2.gz	ZSENXZIUEWYPDO-CQSZACIVSA-N	-1	0	389.386	0.160	20	5		GCBDRM
CC(C)OCCS(=O)(=O)NCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000827031256	601373299	/nfs/dbraw/zinc/37/32/99/601373299.db2.gz	YXZJOXZYGMSBSI-UHFFFAOYSA-N	-1	0	389.386	0.576	20	5		GCBDRM
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1=O	ZINC000828121415	601373904	/nfs/dbraw/zinc/37/39/04/601373904.db2.gz	GYYNRAJVKJLTRP-SUMWQHHRSA-N	-1	0	392.368	0.495	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704541	601379203	/nfs/dbraw/zinc/37/92/03/601379203.db2.gz	XKSSNJUZAAHAOX-LLVKDONJSA-N	-1	0	390.396	0.904	20	5		GCBDRM
CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC000831837054	601381622	/nfs/dbraw/zinc/38/16/22/601381622.db2.gz	VKKWRNWPFWFWQL-NSHDSACASA-N	-1	0	389.386	0.457	20	5		GCBDRM
O=C([O-])C[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CCO1	ZINC000833220465	601381935	/nfs/dbraw/zinc/38/19/35/601381935.db2.gz	VDNROTFFLFRUBK-ZDUSSCGKSA-N	-1	0	379.369	0.747	20	5		GCBDRM
COC(=O)CNC(=O)c1ccc(N2CCO[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831180436	601382005	/nfs/dbraw/zinc/38/20/05/601382005.db2.gz	SPINKTPZAXRKIN-LLVKDONJSA-N	-1	0	381.341	0.178	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc([N+](=O)[O-])c1	ZINC000833299651	601407327	/nfs/dbraw/zinc/40/73/27/601407327.db2.gz	FGPCELMTEVFENC-ZDUSSCGKSA-N	-1	0	392.349	0.962	20	5		GCBDRM
O=C([O-])CC1(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1	ZINC000486038941	601433993	/nfs/dbraw/zinc/43/39/93/601433993.db2.gz	IDKWHLKHBIVBTL-UHFFFAOYSA-N	-1	0	385.398	0.777	20	5		GCBDRM
O=C([O-])C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000833197857	601527963	/nfs/dbraw/zinc/52/79/63/601527963.db2.gz	ROPTZANBVBEKDN-ZDUSSCGKSA-N	-1	0	385.398	0.633	20	5		GCBDRM
CN(CC(=O)N[C@@H](CC(=O)[O-])C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000830669886	601536483	/nfs/dbraw/zinc/53/64/83/601536483.db2.gz	QTPVKJOQKGRNJX-ZDUSSCGKSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CN(CC(=O)N1CCCC[C@@H]1C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262701468	601628871	/nfs/dbraw/zinc/62/88/71/601628871.db2.gz	ZBDOQMWMKFSRGF-CYBMUJFWSA-N	-1	0	385.398	0.681	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1OC	ZINC000262744091	601669304	/nfs/dbraw/zinc/66/93/04/601669304.db2.gz	JQPGPYCHZOVEKM-LLVKDONJSA-N	-1	0	398.368	0.944	20	5		GCBDRM
O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1	ZINC000833215368	601670788	/nfs/dbraw/zinc/67/07/88/601670788.db2.gz	HIADAYXNMQZJMU-QWRGUYRKSA-N	-1	0	381.341	0.495	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCO[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1	ZINC000833252219	601681342	/nfs/dbraw/zinc/68/13/42/601681342.db2.gz	IZYMIYKCVWHRRO-HUUCEWRRSA-N	-1	0	379.369	0.793	20	5		GCBDRM
O=C([O-])[C@]1(F)CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000833100850	601712999	/nfs/dbraw/zinc/71/29/99/601712999.db2.gz	NGLVHWLRRPVVKQ-AWEZNQCLSA-N	-1	0	389.361	0.288	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1OC	ZINC000831773471	601738268	/nfs/dbraw/zinc/73/82/68/601738268.db2.gz	FXYPBSGVXNLMGP-INIZCTEOSA-N	-1	0	384.341	0.602	20	5		GCBDRM
O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1	ZINC000833263357	601858999	/nfs/dbraw/zinc/85/89/99/601858999.db2.gz	MGCOFZWUXKIFJQ-UHFFFAOYSA-N	-1	0	381.366	0.852	20	5		GCBDRM
Cc1n[nH]c(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000832847569	601991719	/nfs/dbraw/zinc/99/17/19/601991719.db2.gz	MIULJGLMHLFTJI-UHFFFAOYSA-N	-1	0	396.381	0.556	20	5		GCBDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000827263383	602068775	/nfs/dbraw/zinc/06/87/75/602068775.db2.gz	PSJCTDJYOQXKLL-LLVKDONJSA-N	-1	0	385.398	0.539	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1	ZINC000826500246	607552704	/nfs/dbraw/zinc/55/27/04/607552704.db2.gz	PQWZXHUILAJYSK-QWRGUYRKSA-N	-1	0	394.413	0.822	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC000538504449	602254376	/nfs/dbraw/zinc/25/43/76/602254376.db2.gz	XQSJYGZIZNPHLN-UHFFFAOYSA-N	-1	0	382.354	0.840	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)COc2ccc(C(=O)[O-])cc2)c1=O	ZINC000831353222	602299595	/nfs/dbraw/zinc/29/95/95/602299595.db2.gz	FISYHEMGFJDSLE-LBPRGKRZSA-N	-1	0	392.320	0.681	20	5		GCBDRM
CC(=O)Nc1ccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1	ZINC000825907948	602299907	/nfs/dbraw/zinc/29/99/07/602299907.db2.gz	HDPPMFPYKDEJLW-ZDUSSCGKSA-N	-1	0	391.336	0.853	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cn(C[C@H](O)COc2ccc3c(c2)OCO3)c1=O	ZINC000833307830	602300071	/nfs/dbraw/zinc/30/00/71/602300071.db2.gz	PZENWJRKUWHWQY-JTQLQIEISA-N	-1	0	378.293	0.623	20	5		GCBDRM
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NN=c1[nH]cccc1[N+](=O)[O-]	ZINC000831373126	602309785	/nfs/dbraw/zinc/30/97/85/602309785.db2.gz	CAZYOQBDSWBTMH-UHFFFAOYSA-N	-1	0	396.337	0.780	20	5		GCBDRM
COc1cc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC000832095953	602318096	/nfs/dbraw/zinc/31/80/96/602318096.db2.gz	TXLIMALNGNMXMQ-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
COc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cn1	ZINC000826203616	607582240	/nfs/dbraw/zinc/58/22/40/607582240.db2.gz	XPONBRBHQNKOQF-UHFFFAOYSA-N	-1	0	391.369	0.657	20	5		GCBDRM
CC[C@H]1CO[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825220814	607585240	/nfs/dbraw/zinc/58/52/40/607585240.db2.gz	WXXXBWRVIGATLY-ZJUUUORDSA-N	-1	0	382.402	0.963	20	5		GCBDRM
CCCN(CC(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825307629	607586858	/nfs/dbraw/zinc/58/68/58/607586858.db2.gz	HZGNNUZEIPDMKZ-UHFFFAOYSA-N	-1	0	384.374	0.349	20	5		GCBDRM
NC(=O)CN(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826391595	607590694	/nfs/dbraw/zinc/59/06/94/607590694.db2.gz	SDDIJCWEYZGUSM-UHFFFAOYSA-N	-1	0	395.401	0.194	20	5		GCBDRM
C[C@H](Cn1ccnc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824466451	607588021	/nfs/dbraw/zinc/58/80/21/607588021.db2.gz	XDUUQQKAXGBBQX-SECBINFHSA-N	-1	0	378.374	0.338	20	5		GCBDRM
Cc1nccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)n1	ZINC000826330214	607594962	/nfs/dbraw/zinc/59/49/62/607594962.db2.gz	KDIBBOUYBLTEAS-UHFFFAOYSA-N	-1	0	376.358	0.352	20	5		GCBDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000736368916	602960269	/nfs/dbraw/zinc/96/02/69/602960269.db2.gz	GSZAWWOQPZEGHW-GFCCVEGCSA-N	-1	0	388.402	0.282	20	5		GCBDRM
CCC(CC)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(N)=O	ZINC000825096350	607601497	/nfs/dbraw/zinc/60/14/97/607601497.db2.gz	MLHUNFAOWPPBMM-UHFFFAOYSA-N	-1	0	383.390	0.097	20	5		GCBDRM
COC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(C)(C)C	ZINC000826112086	607616578	/nfs/dbraw/zinc/61/65/78/607616578.db2.gz	RYEDGJBLAVAGAQ-LLVKDONJSA-N	-1	0	398.401	0.641	20	5		GCBDRM
O=C([O-])N1CCC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1	ZINC000739925625	603273850	/nfs/dbraw/zinc/27/38/50/603273850.db2.gz	BZYCFUXRRSWITQ-GFCCVEGCSA-N	-1	0	378.389	0.964	20	5		GCBDRM
NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000826390319	607622121	/nfs/dbraw/zinc/62/21/21/607622121.db2.gz	WRYDZXODKHJTCS-BDAKNGLRSA-N	-1	0	395.401	0.097	20	5		GCBDRM
C[C@@H](O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000824690958	607630637	/nfs/dbraw/zinc/63/06/37/607630637.db2.gz	WRCUNOWUOPGYDI-SECBINFHSA-N	-1	0	382.402	0.556	20	5		GCBDRM
CC[C@H](C)[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825051585	607635507	/nfs/dbraw/zinc/63/55/07/607635507.db2.gz	RUTOCMRYIBUMSP-LKFCYVNXSA-N	-1	0	384.418	0.850	20	5		GCBDRM
CC(C)(C)C[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824085520	607637675	/nfs/dbraw/zinc/63/76/75/607637675.db2.gz	FLNCXISFGLVNIW-SECBINFHSA-N	-1	0	384.418	0.850	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)c1-c1nnn[n-]1	ZINC000826499877	607639015	/nfs/dbraw/zinc/63/90/15/607639015.db2.gz	BUUWRAHBXPSSHX-QMMMGPOBSA-N	-1	0	396.307	0.367	20	5		GCBDRM
CC(C)OC(=O)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824305079	607651715	/nfs/dbraw/zinc/65/17/15/607651715.db2.gz	KLHJPCIEBANASM-SECBINFHSA-N	-1	0	398.401	0.641	20	5		GCBDRM
Cc1nn(C)c(C)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826333655	607656752	/nfs/dbraw/zinc/65/67/52/607656752.db2.gz	QBUXJXQZMYZENP-UHFFFAOYSA-N	-1	0	392.401	0.604	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)C2CCCCC2)c1-c1nnn[n-]1	ZINC000826499874	607658967	/nfs/dbraw/zinc/65/89/67/607658967.db2.gz	BPRFBEAETJQTSC-NSHDSACASA-N	-1	0	396.429	0.994	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)CCCCC2)c1-c1nnn[n-]1	ZINC000826500066	607666977	/nfs/dbraw/zinc/66/69/77/607666977.db2.gz	JWYKIFTWOWODQR-UHFFFAOYSA-N	-1	0	396.429	0.996	20	5		GCBDRM
CO[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1(C)C	ZINC000826144510	607667720	/nfs/dbraw/zinc/66/77/20/607667720.db2.gz	LOOJGDJZLZWMRY-MNOVXSKESA-N	-1	0	382.402	0.867	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1-c1nnn[n-]1	ZINC000826500074	607668198	/nfs/dbraw/zinc/66/81/98/607668198.db2.gz	KCEQQBLBHBVMLE-MRVPVSSYSA-N	-1	0	391.373	0.180	20	5		GCBDRM
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC(=O)NCCC(=O)[O-])C1=O	ZINC000828123493	604402141	/nfs/dbraw/zinc/40/21/41/604402141.db2.gz	VOHUYKWTTZTNNW-INIZCTEOSA-N	-1	0	378.341	0.343	20	5		GCBDRM
O=C([O-])N1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1	ZINC000831851810	604415103	/nfs/dbraw/zinc/41/51/03/604415103.db2.gz	CNFFKGRNDGSXSC-UHFFFAOYSA-N	-1	0	380.176	0.998	20	5		GCBDRM
CCn1cc(S(=O)(=O)NCCOc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])n1	ZINC000579226967	604507068	/nfs/dbraw/zinc/50/70/68/604507068.db2.gz	DZLLEXLCLVEKHM-UHFFFAOYSA-N	-1	0	384.370	0.867	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc([N+](=O)[O-])c1	ZINC000832703901	604706139	/nfs/dbraw/zinc/70/61/39/604706139.db2.gz	IXIPMQKFFADMHQ-UHFFFAOYSA-N	-1	0	398.353	0.074	20	5		GCBDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000829955480	604720568	/nfs/dbraw/zinc/72/05/68/604720568.db2.gz	PEUHLILOCZZUPP-NSHDSACASA-N	-1	0	387.776	0.926	20	5		GCBDRM
O=C([O-])N1CC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000833130263	604754775	/nfs/dbraw/zinc/75/47/75/604754775.db2.gz	LJGUASZIIPVGMJ-CYBMUJFWSA-N	-1	0	398.397	0.226	20	5		GCBDRM
COCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000820723629	604774957	/nfs/dbraw/zinc/77/49/57/604774957.db2.gz	ZUNUGLFVGWEHDQ-UHFFFAOYSA-N	-1	0	387.414	0.917	20	5		GCBDRM
C[S@@](=O)CCN1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000832729833	604800710	/nfs/dbraw/zinc/80/07/10/604800710.db2.gz	JMIJGFHSPXHXBM-AREMUKBSSA-N	-1	0	386.386	0.702	20	5		GCBDRM
CC(C)c1n[nH]c(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)c1[N+](=O)[O-]	ZINC000833508638	605062165	/nfs/dbraw/zinc/06/21/65/605062165.db2.gz	ONCSYOQQIOUIHB-UHFFFAOYSA-N	-1	0	389.372	0.892	20	5		GCBDRM
CC(C)(CC(=O)[O-])CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000617697324	605104917	/nfs/dbraw/zinc/10/49/17/605104917.db2.gz	BQJMVYWMVOQBSC-UHFFFAOYSA-N	-1	0	387.414	0.880	20	5		GCBDRM
C[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000833403295	605140341	/nfs/dbraw/zinc/14/03/41/605140341.db2.gz	HPKYKYXTRUTLQE-HUTHGQBESA-N	-1	0	375.337	0.903	20	5		GCBDRM
C[C@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000833403297	605140641	/nfs/dbraw/zinc/14/06/41/605140641.db2.gz	HPKYKYXTRUTLQE-XLFHBGCDSA-N	-1	0	375.337	0.903	20	5		GCBDRM
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCN1CCC(=O)[O-]	ZINC000833623354	605279024	/nfs/dbraw/zinc/27/90/24/605279024.db2.gz	PJEIXUBIYRNOLD-NSHDSACASA-N	-1	0	399.425	0.619	20	5		GCBDRM
CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833397063	605390537	/nfs/dbraw/zinc/39/05/37/605390537.db2.gz	VQMCFURORIOHDT-LLVKDONJSA-N	-1	0	385.398	0.830	20	5		GCBDRM
CC(C)COC[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833488211	605396164	/nfs/dbraw/zinc/39/61/64/605396164.db2.gz	LAZJDTLOEBXLPK-NSHDSACASA-N	-1	0	376.387	0.605	20	5		GCBDRM
CC(C)COC[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833488209	605396247	/nfs/dbraw/zinc/39/62/47/605396247.db2.gz	LAZJDTLOEBXLPK-LLVKDONJSA-N	-1	0	376.387	0.605	20	5		GCBDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000833721361	605400117	/nfs/dbraw/zinc/40/01/17/605400117.db2.gz	NYHWAPDHBSGSKH-AWEZNQCLSA-N	-1	0	390.370	0.540	20	5		GCBDRM
CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833496298	605401403	/nfs/dbraw/zinc/40/14/03/605401403.db2.gz	FCEGKPHGHICMMM-UHFFFAOYSA-N	-1	0	394.427	0.737	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C(C)(C)C1	ZINC000833390026	605403563	/nfs/dbraw/zinc/40/35/63/605403563.db2.gz	AKNPHLDSAOWUOE-UHFFFAOYSA-N	-1	0	385.398	0.924	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000833708694	605651598	/nfs/dbraw/zinc/65/15/98/605651598.db2.gz	QTCNLEQHMRXEHU-GXFFZTMASA-N	-1	0	396.352	0.847	20	5		GCBDRM
COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000833706947	605694298	/nfs/dbraw/zinc/69/42/98/605694298.db2.gz	IWCJIPQKJLLFDH-QMTHXVAHSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000833704220	605771585	/nfs/dbraw/zinc/77/15/85/605771585.db2.gz	FREAEKSCZDHFAJ-YPMHNXCESA-N	-1	0	394.336	0.651	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000833711323	605773114	/nfs/dbraw/zinc/77/31/14/605773114.db2.gz	WDMDROCBCUJCFM-WCQYABFASA-N	-1	0	394.336	0.651	20	5		GCBDRM
Cc1ccc([C@H](C)Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-]	ZINC000822228984	606428340	/nfs/dbraw/zinc/42/83/40/606428340.db2.gz	KBMMBRXBHMEZKO-VIFPVBQESA-N	-1	0	386.372	0.654	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1	ZINC000821487547	606708450	/nfs/dbraw/zinc/70/84/50/606708450.db2.gz	WHAUJALWQVOQFQ-UHFFFAOYSA-N	-1	0	378.374	0.872	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000821845971	606710568	/nfs/dbraw/zinc/71/05/68/606710568.db2.gz	MTIPPZPHWPXUII-UHFFFAOYSA-N	-1	0	380.346	0.318	20	5		GCBDRM
CC(C)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000820092695	606730591	/nfs/dbraw/zinc/73/05/91/606730591.db2.gz	NWJBNWIEKUVMQW-UHFFFAOYSA-N	-1	0	395.445	0.737	20	5		GCBDRM
CC(=O)NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000819804009	606731639	/nfs/dbraw/zinc/73/16/39/606731639.db2.gz	SCJSGOFPBAKJLC-UHFFFAOYSA-N	-1	0	395.401	0.064	20	5		GCBDRM
COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821639483	606733045	/nfs/dbraw/zinc/73/30/45/606733045.db2.gz	ZULVLDCGRGECQA-QMMMGPOBSA-N	-1	0	384.374	0.205	20	5		GCBDRM
COC(=O)CCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821660400	606733087	/nfs/dbraw/zinc/73/30/87/606733087.db2.gz	PRDGPYWTYCJZCP-UHFFFAOYSA-N	-1	0	384.374	0.349	20	5		GCBDRM
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000820750939	606734432	/nfs/dbraw/zinc/73/44/32/606734432.db2.gz	DOHGJNSWTFHZRM-MNOVXSKESA-N	-1	0	395.445	0.736	20	5		GCBDRM
CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000820142133	606735260	/nfs/dbraw/zinc/73/52/60/606735260.db2.gz	HFKWBDFEKWPIDA-VIFPVBQESA-N	-1	0	398.401	0.736	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)c1-c1nnn[n-]1	ZINC000823648388	606735561	/nfs/dbraw/zinc/73/55/61/606735561.db2.gz	VXGRWFABWOOOTO-LLVKDONJSA-N	-1	0	391.413	0.410	20	5		GCBDRM
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1	ZINC000823634464	606789331	/nfs/dbraw/zinc/78/93/31/606789331.db2.gz	GIPPAPFHHHPPNO-UHFFFAOYSA-N	-1	0	387.341	0.847	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@H](C)C1	ZINC000819796563	606872522	/nfs/dbraw/zinc/87/25/22/606872522.db2.gz	LQJLPYKQNLCTAG-SECBINFHSA-N	-1	0	395.401	0.016	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@@H](C)C1	ZINC000819796564	606872703	/nfs/dbraw/zinc/87/27/03/606872703.db2.gz	LQJLPYKQNLCTAG-VIFPVBQESA-N	-1	0	395.401	0.016	20	5		GCBDRM
CN(CCCn1ccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821601725	607140528	/nfs/dbraw/zinc/14/05/28/607140528.db2.gz	WUSLVKMIANSZMK-UHFFFAOYSA-N	-1	0	392.401	0.682	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc([N+](=O)[O-])c1C	ZINC000826272604	607776693	/nfs/dbraw/zinc/77/66/93/607776693.db2.gz	SCDBGMUNTXTUSP-UHFFFAOYSA-N	-1	0	391.369	0.839	20	5		GCBDRM
CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826067178	607907602	/nfs/dbraw/zinc/90/76/02/607907602.db2.gz	DKUGTXCGYVIMRH-VIFPVBQESA-N	-1	0	397.417	0.214	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@H]2C2CC2)c1-c1nnn[n-]1	ZINC000826499843	608026818	/nfs/dbraw/zinc/02/68/18/608026818.db2.gz	AEMHUZGOXDDODO-NSHDSACASA-N	-1	0	380.386	0.574	20	5		GCBDRM
CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825486202	608127441	/nfs/dbraw/zinc/12/74/41/608127441.db2.gz	OAXNRXFDIINLDL-DTWKUNHWSA-N	-1	0	398.401	0.641	20	5		GCBDRM
C[C@H]1C[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCO1	ZINC000824886282	608155440	/nfs/dbraw/zinc/15/54/40/608155440.db2.gz	WSBLKLMYGCINBB-UWVGGRQHSA-N	-1	0	382.402	0.868	20	5		GCBDRM
C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCN1C	ZINC000824857111	608156709	/nfs/dbraw/zinc/15/67/09/608156709.db2.gz	AZYJCZYISVBZHK-NXEZZACHSA-N	-1	0	381.418	0.488	20	5		GCBDRM
CCN1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@@H]1C	ZINC000825453241	608238157	/nfs/dbraw/zinc/23/81/57/608238157.db2.gz	UQOQEYCBULIOGH-QWRGUYRKSA-N	-1	0	395.445	0.878	20	5		GCBDRM
CCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)OC	ZINC000825242283	608306486	/nfs/dbraw/zinc/30/64/86/608306486.db2.gz	NFCXLHGNLYMYHX-QMMMGPOBSA-N	-1	0	384.374	0.395	20	5		GCBDRM
CO[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826146441	608425178	/nfs/dbraw/zinc/42/51/78/608425178.db2.gz	WCJBIUHRQNVLGL-GXSJLCMTSA-N	-1	0	382.402	0.868	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cnccn2)c1-c1nnn[n-]1	ZINC000826500286	608425393	/nfs/dbraw/zinc/42/53/93/608425393.db2.gz	SAAHSOZORKUSNQ-UHFFFAOYSA-N	-1	0	376.358	0.086	20	5		GCBDRM
C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824991427	608563445	/nfs/dbraw/zinc/56/34/45/608563445.db2.gz	AWVBFZFHKUENRW-VHSXEESVSA-N	-1	0	381.418	0.488	20	5		GCBDRM
O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000826425649	609401518	/nfs/dbraw/zinc/40/15/18/609401518.db2.gz	MRKHWRAJAGAIJN-UHFFFAOYSA-N	-1	0	377.752	0.379	20	5		GCBDRM
CCCCCN(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825271401	609578502	/nfs/dbraw/zinc/57/85/02/609578502.db2.gz	JAULZNMESHVLFW-UHFFFAOYSA-N	-1	0	397.417	0.441	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)[C@@H]1CCCOC1	ZINC000824640372	609579894	/nfs/dbraw/zinc/57/98/94/609579894.db2.gz	HJLCSMVNZGFJPK-NXEZZACHSA-N	-1	0	382.402	0.868	20	5		GCBDRM
CC(C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1=O	ZINC000824300436	609584384	/nfs/dbraw/zinc/58/43/84/609584384.db2.gz	GQIQNDWACULTQX-UHFFFAOYSA-N	-1	0	395.401	0.016	20	5		GCBDRM
NS(=O)(=O)c1ccc(F)c(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1	ZINC000610264059	638450848	/nfs/dbraw/zinc/45/08/48/638450848.db2.gz	OUWNVASIORBJIV-UHFFFAOYSA-N	-1	0	390.374	0.255	20	5		GCBDRM
COC(=O)CCCNC(=S)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000018138327	638698813	/nfs/dbraw/zinc/69/88/13/638698813.db2.gz	LYUJLIYPNLJDEP-UHFFFAOYSA-N	-1	0	376.416	0.205	20	5		GCBDRM
C[C@@](O)(CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263463963	639167271	/nfs/dbraw/zinc/16/72/71/639167271.db2.gz	FPLMZZATHWJISV-SNVBAGLBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
C[C@@](O)(CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000263515000	639169159	/nfs/dbraw/zinc/16/91/59/639169159.db2.gz	ZHKDAXLRALGBGK-SNVBAGLBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000730921970	639746101	/nfs/dbraw/zinc/74/61/01/639746101.db2.gz	HMPXSPXXCYTXHZ-UHFFFAOYSA-N	-1	0	380.375	0.835	20	5		GCBDRM
CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000731291417	639761895	/nfs/dbraw/zinc/76/18/95/639761895.db2.gz	VHDUHWIYWVHRAL-UHFFFAOYSA-N	-1	0	384.819	0.878	20	5		GCBDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000732510836	639810206	/nfs/dbraw/zinc/81/02/06/639810206.db2.gz	FUCWYRMYODDNPK-UHFFFAOYSA-N	-1	0	380.400	0.094	20	5		GCBDRM
NC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000915819150	639811324	/nfs/dbraw/zinc/81/13/24/639811324.db2.gz	QXIRLCKBRAOBTH-QMMMGPOBSA-N	-1	0	390.805	0.844	20	5		GCBDRM
CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732621840	639812777	/nfs/dbraw/zinc/81/27/77/639812777.db2.gz	CNEQSDVDVCIUAT-SECBINFHSA-N	-1	0	397.456	0.275	20	5		GCBDRM
CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1=O	ZINC000732622354	639812787	/nfs/dbraw/zinc/81/27/87/639812787.db2.gz	GCASRLDTMRZHRW-SECBINFHSA-N	-1	0	375.428	0.966	20	5		GCBDRM
O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732622521	639812845	/nfs/dbraw/zinc/81/28/45/639812845.db2.gz	IYLQUXMNGLHCLH-UHFFFAOYSA-N	-1	0	377.400	0.100	20	5		GCBDRM
CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000916753391	639833969	/nfs/dbraw/zinc/83/39/69/639833969.db2.gz	GJSIMUUBQKIRFK-NSHDSACASA-N	-1	0	391.427	0.214	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCS(=O)(=O)C1	ZINC000917445446	639852131	/nfs/dbraw/zinc/85/21/31/639852131.db2.gz	FSLAQGCIPYCYEP-SNVBAGLBSA-N	-1	0	376.412	0.533	20	5		GCBDRM
NC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000920331384	639920464	/nfs/dbraw/zinc/92/04/64/639920464.db2.gz	LADAQSPNLTULBR-MRVPVSSYSA-N	-1	0	390.805	0.844	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)cc([N+](=O)[O-])c1	ZINC000920325592	639920503	/nfs/dbraw/zinc/92/05/03/639920503.db2.gz	AKUJQDRVAAMJTL-UHFFFAOYSA-N	-1	0	391.427	0.459	20	5		GCBDRM
CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1	ZINC000733684909	639981209	/nfs/dbraw/zinc/98/12/09/639981209.db2.gz	MAIRZZUCTTTWRD-UHFFFAOYSA-N	-1	0	375.790	0.969	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)CC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000739187273	640182886	/nfs/dbraw/zinc/18/28/86/640182886.db2.gz	OLELOERYEJQYQY-UHFFFAOYSA-N	-1	0	391.427	0.071	20	5		GCBDRM
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCOCCOC	ZINC000838932919	640198500	/nfs/dbraw/zinc/19/85/00/640198500.db2.gz	DNNCAMIWWQDEDT-UHFFFAOYSA-N	-1	0	375.403	0.885	20	5		GCBDRM
CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])n1	ZINC000741202245	640222666	/nfs/dbraw/zinc/22/26/66/640222666.db2.gz	YIEWUVZCJSZXTI-UHFFFAOYSA-N	-1	0	392.390	0.776	20	5		GCBDRM
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744268229	640267262	/nfs/dbraw/zinc/26/72/62/640267262.db2.gz	RGPHUKBGONAUTH-UHFFFAOYSA-N	-1	0	383.304	0.723	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cc([N+](=O)[O-])c1	ZINC000747182079	640305103	/nfs/dbraw/zinc/30/51/03/640305103.db2.gz	UHLANMJBTUINQM-UHFFFAOYSA-N	-1	0	389.367	0.246	20	5		GCBDRM
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CCCF	ZINC000747140277	640305224	/nfs/dbraw/zinc/30/52/24/640305224.db2.gz	VKKFUUWVPPECPT-UHFFFAOYSA-N	-1	0	376.366	0.200	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CC1	ZINC000750757429	640366882	/nfs/dbraw/zinc/36/68/82/640366882.db2.gz	MIIPRELAYXMNCZ-UHFFFAOYSA-N	-1	0	377.400	0.010	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000754675522	640457342	/nfs/dbraw/zinc/45/73/42/640457342.db2.gz	SOBVTCXSVFQPMD-QMMMGPOBSA-N	-1	0	393.805	0.831	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F	ZINC000755740457	640474405	/nfs/dbraw/zinc/47/44/05/640474405.db2.gz	MUTBGJZQTVDWFH-JTQLQIEISA-N	-1	0	378.378	0.946	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2C)s1	ZINC000759516789	640552342	/nfs/dbraw/zinc/55/23/42/640552342.db2.gz	BKSVRVBNTNTJKK-UHFFFAOYSA-N	-1	0	385.383	0.832	20	5		GCBDRM
CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000762740799	640615281	/nfs/dbraw/zinc/61/52/81/640615281.db2.gz	SYBSTIIVWUAZFP-UHFFFAOYSA-N	-1	0	378.428	0.408	20	5		GCBDRM
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000770747074	640814152	/nfs/dbraw/zinc/81/41/52/640814152.db2.gz	CBBBZKGMGTYTFL-LURJTMIESA-N	-1	0	394.203	0.687	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1	ZINC000772204845	640840053	/nfs/dbraw/zinc/84/00/53/640840053.db2.gz	YKFQCAQJQFDDCP-WCQYABFASA-N	-1	0	386.407	0.991	20	5		GCBDRM
COCCCOCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000776094945	641088566	/nfs/dbraw/zinc/08/85/66/641088566.db2.gz	SESFRGGMGCVGFD-UHFFFAOYSA-N	-1	0	381.794	0.688	20	5		GCBDRM
Cn1cc(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])nc1Cl	ZINC000776535397	641099653	/nfs/dbraw/zinc/09/96/53/641099653.db2.gz	DEMLETIDALIISW-SNVBAGLBSA-N	-1	0	388.789	0.956	20	5		GCBDRM
O=C([O-])COCCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000776588891	641105721	/nfs/dbraw/zinc/10/57/21/641105721.db2.gz	UUSGSHTWCFMNLM-UHFFFAOYSA-N	-1	0	383.176	0.737	20	5		GCBDRM
COC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000776627517	641108306	/nfs/dbraw/zinc/10/83/06/641108306.db2.gz	VJMCCESKPGTFNH-MRVPVSSYSA-N	-1	0	383.176	0.735	20	5		GCBDRM
O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776716737	641114810	/nfs/dbraw/zinc/11/48/10/641114810.db2.gz	RSBMOFQMOYTVEH-PVBMHHQDSA-N	-1	0	382.803	0.454	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)Cc2cccc([N+](=O)[O-])c2)s1	ZINC000777352772	641130367	/nfs/dbraw/zinc/13/03/67/641130367.db2.gz	VQJQQCAWRVGDJV-UHFFFAOYSA-N	-1	0	385.383	0.452	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)c([N+](=O)[O-])c1	ZINC000861158850	641143708	/nfs/dbraw/zinc/14/37/08/641143708.db2.gz	ANSLCADOKJQHFJ-UHFFFAOYSA-N	-1	0	398.365	0.856	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2c2nccs2)n1	ZINC000861326211	641148039	/nfs/dbraw/zinc/14/80/39/641148039.db2.gz	FOUPJPQGRXRNHE-MRVPVSSYSA-N	-1	0	386.415	0.259	20	5		GCBDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000779223291	641182784	/nfs/dbraw/zinc/18/27/84/641182784.db2.gz	IRMRCVIMRAIOBS-UHFFFAOYSA-N	-1	0	383.329	0.749	20	5		GCBDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000781803427	641237550	/nfs/dbraw/zinc/23/75/50/641237550.db2.gz	HJHCAKIPUANHIU-SECBINFHSA-N	-1	0	375.359	0.917	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000784813605	641294685	/nfs/dbraw/zinc/29/46/85/641294685.db2.gz	RLAVWWMNPMKHJS-UHFFFAOYSA-N	-1	0	379.416	0.071	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000789482675	641390614	/nfs/dbraw/zinc/39/06/14/641390614.db2.gz	MOIVEGZNSYAKPB-NSHDSACASA-N	-1	0	391.427	0.132	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O	ZINC000789484783	641390821	/nfs/dbraw/zinc/39/08/21/641390821.db2.gz	UORYVLAINFVAFP-UHFFFAOYSA-N	-1	0	391.427	0.134	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)cc([N+](=O)[O-])c1C	ZINC000791763480	641436888	/nfs/dbraw/zinc/43/68/88/641436888.db2.gz	RGZBJNMSIXLMHA-ZDUSSCGKSA-N	-1	0	390.439	0.984	20	5		GCBDRM
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC(N)=O	ZINC000793197385	641466839	/nfs/dbraw/zinc/46/68/39/641466839.db2.gz	RCILGOLUDQEDQV-UHFFFAOYSA-N	-1	0	380.176	0.211	20	5		GCBDRM
NC(=O)CN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1	ZINC000795777737	641525384	/nfs/dbraw/zinc/52/53/84/641525384.db2.gz	QCNLPIQCVUZIGS-UHFFFAOYSA-N	-1	0	394.812	0.615	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@H]1COCCN1CC(F)F	ZINC000798830490	641595862	/nfs/dbraw/zinc/59/58/62/641595862.db2.gz	RUFATEFKDJOOGZ-MRVPVSSYSA-N	-1	0	385.370	0.427	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F	ZINC000809011296	641699518	/nfs/dbraw/zinc/69/95/18/641699518.db2.gz	VHPSBSTXMUTPNE-UHFFFAOYSA-N	-1	0	381.704	0.623	20	5		GCBDRM
COCc1cc(Cl)cc(S(=O)(=O)[N-]C(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000811148485	641751178	/nfs/dbraw/zinc/75/11/78/641751178.db2.gz	WCUPENDMOYOZQD-UHFFFAOYSA-N	-1	0	389.777	0.491	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)CC2)cc1[N+](=O)[O-]	ZINC000815961120	641838149	/nfs/dbraw/zinc/83/81/49/641838149.db2.gz	DWVANYXTDQHAFO-SSDOTTSWSA-N	-1	0	390.805	0.552	20	5		GCBDRM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cc([N+](=O)[O-])ccc1I	ZINC000816732372	641863662	/nfs/dbraw/zinc/86/36/62/641863662.db2.gz	DNBWYEONPIRQIE-UHFFFAOYSA-N	-1	0	391.081	0.586	20	5		GCBDRM
CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000820260634	641955586	/nfs/dbraw/zinc/95/55/86/641955586.db2.gz	FKXXAQIWIAEADX-UHFFFAOYSA-N	-1	0	377.400	0.184	20	5		GCBDRM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000821583793	641995887	/nfs/dbraw/zinc/99/58/87/641995887.db2.gz	HWONNQRZFMFLPN-NSHDSACASA-N	-1	0	376.391	0.359	20	5		GCBDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000802075157	642142777	/nfs/dbraw/zinc/14/27/77/642142777.db2.gz	KWVZMXZRQSIUOO-UHFFFAOYSA-N	-1	0	379.416	0.313	20	5		GCBDRM
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000802163784	642148214	/nfs/dbraw/zinc/14/82/14/642148214.db2.gz	KJWPVABMRUSTHG-IUCAKERBSA-N	-1	0	376.391	0.170	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-]	ZINC000835163179	642223754	/nfs/dbraw/zinc/22/37/54/642223754.db2.gz	MPVLBYDURBYFMQ-UHFFFAOYSA-N	-1	0	378.334	0.755	20	5		GCBDRM
COC[C@@]1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CCOC1	ZINC000835182565	642224388	/nfs/dbraw/zinc/22/43/88/642224388.db2.gz	LYGHVKRJVYOWIR-ZDUSSCGKSA-N	-1	0	393.805	0.688	20	5		GCBDRM
CC(C)[C@@H](CO)O[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000836896692	642257448	/nfs/dbraw/zinc/25/74/48/642257448.db2.gz	SVEQXBPNRVGZAC-CYBMUJFWSA-N	-1	0	375.403	0.280	20	5		GCBDRM
C[C@@](O)(CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000841782779	642319457	/nfs/dbraw/zinc/31/94/57/642319457.db2.gz	FKRQQBJROPRZFK-SNVBAGLBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000841782801	642320024	/nfs/dbraw/zinc/32/00/24/642320024.db2.gz	HIQCSTWAPMFNKN-LLVKDONJSA-N	-1	0	397.203	0.780	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(I)cc1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000842336359	642331346	/nfs/dbraw/zinc/33/13/46/642331346.db2.gz	VLUYNTZSBXRNSC-RKDXNWHRSA-N	-1	0	396.162	0.761	20	5		GCBDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000846003215	642466309	/nfs/dbraw/zinc/46/63/09/642466309.db2.gz	ZZRUWVYHYUCMAH-UHFFFAOYSA-N	-1	0	382.192	0.703	20	5		GCBDRM
COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000848681155	642550388	/nfs/dbraw/zinc/55/03/88/642550388.db2.gz	UNZNUTRMFNKTEO-VIFPVBQESA-N	-1	0	379.322	0.864	20	5		GCBDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)[C@H]1CCOC1	ZINC000850859587	642700178	/nfs/dbraw/zinc/70/01/78/642700178.db2.gz	RSAMHIMISMTXIR-JVXZTZIISA-N	-1	0	393.805	0.687	20	5		GCBDRM
CC(C)(C)OC(=O)CSCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851328332	642716886	/nfs/dbraw/zinc/71/68/86/642716886.db2.gz	DFJABJGIYZYRCX-UHFFFAOYSA-N	-1	0	391.427	0.870	20	5		GCBDRM
CCC(=O)N[C@H](CCSC)C(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851328025	642716920	/nfs/dbraw/zinc/71/69/20/642716920.db2.gz	TYFQGMLPJIJIOF-SECBINFHSA-N	-1	0	390.443	0.443	20	5		GCBDRM
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)C(C)C	ZINC000860565969	643037693	/nfs/dbraw/zinc/03/76/93/643037693.db2.gz	NMMRVIHCYVSDDP-GFCCVEGCSA-N	-1	0	392.821	0.796	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)N=c1nc(Cc2ccc(F)cc2F)[n-]s1	ZINC000541650235	1192203020	/nfs/dbraw/zinc/20/30/20/1192203020.db2.gz	FXNYAEAXPMVBCD-UHFFFAOYSA-N	-1	0	381.324	0.967	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cn(C)nc2-c2cnn(C)c2)c([N+](=O)[O-])n1	ZINC000432344726	1192376938	/nfs/dbraw/zinc/37/69/38/1192376938.db2.gz	BVLGCKGTUSQPAZ-UHFFFAOYSA-N	-1	0	380.390	0.746	20	5		GCBDRM
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000473246755	1192627255	/nfs/dbraw/zinc/62/72/55/1192627255.db2.gz	XBRVHMIMNHZTGV-UHFFFAOYSA-N	-1	0	383.324	0.645	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1C	ZINC000274968213	1184442355	/nfs/dbraw/zinc/44/23/55/1184442355.db2.gz	KASKFWBULFJAIC-LLVKDONJSA-N	-1	0	385.398	0.423	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000274970436	1184442526	/nfs/dbraw/zinc/44/25/26/1184442526.db2.gz	CHJFMTRABJYDEE-NEPJUHHUSA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc([N+](=O)[O-])c1F	ZINC000274964143	1184443513	/nfs/dbraw/zinc/44/35/13/1184443513.db2.gz	BQSNWKGKDZBNJW-GZMMTYOYSA-N	-1	0	389.361	0.382	20	5		GCBDRM
COCCCS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000275029256	1184466987	/nfs/dbraw/zinc/46/69/87/1184466987.db2.gz	IMJPCCVNLLVLPF-UHFFFAOYSA-N	-1	0	387.414	0.425	20	5		GCBDRM
COc1n[nH]c([N-]S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)n1	ZINC000275042710	1184471645	/nfs/dbraw/zinc/47/16/45/1184471645.db2.gz	SFPGGNIBEVXSCI-UHFFFAOYSA-N	-1	0	384.330	0.479	20	5		GCBDRM
COC(=O)c1ccc(N2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)nn1	ZINC000275083470	1184501113	/nfs/dbraw/zinc/50/11/13/1184501113.db2.gz	FYJQSCOGNYOMQS-UHFFFAOYSA-N	-1	0	387.352	0.839	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(N)=O	ZINC000275086406	1184502744	/nfs/dbraw/zinc/50/27/44/1184502744.db2.gz	JMHIIONSNAXKOZ-ZYHUDNBSSA-N	-1	0	385.398	0.551	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)C1	ZINC000275107754	1184511335	/nfs/dbraw/zinc/51/13/35/1184511335.db2.gz	MMRVHRDTSVSWLC-QWRGUYRKSA-N	-1	0	383.382	0.291	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000275149476	1184534807	/nfs/dbraw/zinc/53/48/07/1184534807.db2.gz	RJCXYHOYXOKNFX-VXGBXAGGSA-N	-1	0	397.409	0.599	20	5		GCBDRM
COCCn1cc(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cn1	ZINC000275175951	1184540853	/nfs/dbraw/zinc/54/08/53/1184540853.db2.gz	CRHSZUAMFINNSG-AWEZNQCLSA-N	-1	0	398.397	0.412	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1C	ZINC000275206365	1184552372	/nfs/dbraw/zinc/55/23/72/1184552372.db2.gz	ZIZKNGXAJZHPFJ-ZYHUDNBSSA-N	-1	0	385.398	0.551	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)NC2(c3nnn[n-]3)CC2)cc1OC	ZINC000430311854	1184589145	/nfs/dbraw/zinc/58/91/45/1184589145.db2.gz	LUIPWCLVVVMMMX-UHFFFAOYSA-N	-1	0	378.345	0.561	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000275372292	1184638707	/nfs/dbraw/zinc/63/87/07/1184638707.db2.gz	YUXBAHAAFGBVEH-ZDUSSCGKSA-N	-1	0	382.398	0.919	20	5		GCBDRM
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000275378227	1184643159	/nfs/dbraw/zinc/64/31/59/1184643159.db2.gz	ZLGKNVJHGNLVNH-CYBMUJFWSA-N	-1	0	382.398	0.919	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000547875715	1184729794	/nfs/dbraw/zinc/72/97/94/1184729794.db2.gz	CEPLKTIUMLYKQP-NSHDSACASA-N	-1	0	384.370	0.540	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)ccc1[N+](=O)[O-]	ZINC000579959157	1184832995	/nfs/dbraw/zinc/83/29/95/1184832995.db2.gz	GNWOPZQDYMCYNZ-WCQYABFASA-N	-1	0	383.382	0.725	20	5		GCBDRM
COc1cc[nH]c(=NNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1	ZINC000728260852	1184834267	/nfs/dbraw/zinc/83/42/67/1184834267.db2.gz	USCIXSMXCISXQY-UHFFFAOYSA-N	-1	0	383.342	0.470	20	5		GCBDRM
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000471458507	1184873452	/nfs/dbraw/zinc/87/34/52/1184873452.db2.gz	IQLTYHSVTVAFCS-BLLLJJGKSA-N	-1	0	399.425	0.398	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-]	ZINC000579481006	1185115412	/nfs/dbraw/zinc/11/54/12/1185115412.db2.gz	QKWFQRJUDLWRGU-BMIGLBTASA-N	-1	0	386.382	0.909	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000262149165	1185383537	/nfs/dbraw/zinc/38/35/37/1185383537.db2.gz	JGQCHTKTDKHDFB-GFCCVEGCSA-N	-1	0	378.385	0.788	20	5		GCBDRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000262149168	1185383678	/nfs/dbraw/zinc/38/36/78/1185383678.db2.gz	JGQCHTKTDKHDFB-LBPRGKRZSA-N	-1	0	378.385	0.788	20	5		GCBDRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000262181189	1185394044	/nfs/dbraw/zinc/39/40/44/1185394044.db2.gz	MKOIOGXIBNRWTJ-ZDUSSCGKSA-N	-1	0	392.412	0.813	20	5		GCBDRM
NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1c2ccccc2[N-]S1(=O)=O	ZINC000430530520	1185443920	/nfs/dbraw/zinc/44/39/20/1185443920.db2.gz	GUNQROUJTUNLJG-UHFFFAOYSA-N	-1	0	378.370	0.678	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)c([N+](=O)[O-])c1	ZINC000581373237	1185623716	/nfs/dbraw/zinc/62/37/16/1185623716.db2.gz	NYTKKQGDGBMQHH-WDEREUQCSA-N	-1	0	383.382	0.725	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000262281779	1185730430	/nfs/dbraw/zinc/73/04/30/1185730430.db2.gz	ZGZCRMZFMXPCCQ-KGLIPLIRSA-N	-1	0	397.409	0.539	20	5		GCBDRM
COC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(=O)[O-]	ZINC000548200443	1185878908	/nfs/dbraw/zinc/87/89/08/1185878908.db2.gz	ONHUXKAWBZGXFD-VIFPVBQESA-N	-1	0	383.338	0.438	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-]	ZINC000548207759	1185883843	/nfs/dbraw/zinc/88/38/43/1185883843.db2.gz	MSGUBKWEEWTXJK-GFCCVEGCSA-N	-1	0	398.397	0.848	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-]	ZINC000276963893	1186179659	/nfs/dbraw/zinc/17/96/59/1186179659.db2.gz	VTVMSBWDSACNCK-NSHDSACASA-N	-1	0	385.398	0.423	20	5		GCBDRM
O=C([O-])CCN(CC1CC1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000610844421	1186244660	/nfs/dbraw/zinc/24/46/60/1186244660.db2.gz	QNCSHSZNAIWGBY-UHFFFAOYSA-N	-1	0	399.425	0.977	20	5		GCBDRM
COC(=O)C1CCN(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000548525432	1186298992	/nfs/dbraw/zinc/29/89/92/1186298992.db2.gz	GCFCISFSMNXXNP-UHFFFAOYSA-N	-1	0	387.370	0.835	20	5		GCBDRM
Cc1cc(C)n(C[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])n1	ZINC000548538385	1186307370	/nfs/dbraw/zinc/30/73/70/1186307370.db2.gz	ZFWLXKOIQGOBMB-ZDUSSCGKSA-N	-1	0	382.398	0.981	20	5		GCBDRM
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000548564494	1186319449	/nfs/dbraw/zinc/31/94/49/1186319449.db2.gz	UALWVIWFSIGPIO-LBPRGKRZSA-N	-1	0	387.370	0.977	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1	ZINC000263126073	1186351986	/nfs/dbraw/zinc/35/19/86/1186351986.db2.gz	VPWCQEMRDFCTPD-INIZCTEOSA-N	-1	0	375.341	0.739	20	5		GCBDRM
O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1	ZINC000277376308	1186353971	/nfs/dbraw/zinc/35/39/71/1186353971.db2.gz	ZWFIZNOSDLTTSQ-UWVGGRQHSA-N	-1	0	397.365	0.859	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1=O	ZINC000479009145	1186548072	/nfs/dbraw/zinc/54/80/72/1186548072.db2.gz	YPCYJNXOFXMJBI-RYUDHWBXSA-N	-1	0	381.389	0.353	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1=O	ZINC000479008535	1186548348	/nfs/dbraw/zinc/54/83/48/1186548348.db2.gz	XBQPDKCUIJHJSC-IUODEOHRSA-N	-1	0	378.385	0.833	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1=O	ZINC000478979052	1186548633	/nfs/dbraw/zinc/54/86/33/1186548633.db2.gz	FXCGANKSBUBBIH-WBMJQRKESA-N	-1	0	392.412	0.857	20	5		GCBDRM
O=C(Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1)NCCN1CCOCC1	ZINC000277739626	1186584195	/nfs/dbraw/zinc/58/41/95/1186584195.db2.gz	DLXHPGUQTGYCQE-UHFFFAOYSA-N	-1	0	377.357	0.341	20	5		GCBDRM
NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000583385286	1186841460	/nfs/dbraw/zinc/84/14/60/1186841460.db2.gz	ZQPXCGFIYGDXNO-MGCOHNPYSA-N	-1	0	385.398	0.863	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCC2(CNC(=O)C2)CC1	ZINC000583568499	1186887073	/nfs/dbraw/zinc/88/70/73/1186887073.db2.gz	MRMDMYYVWBYYJX-UHFFFAOYSA-N	-1	0	397.409	0.892	20	5		GCBDRM
CNC(=O)C1CCC(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000584057142	1186991019	/nfs/dbraw/zinc/99/10/19/1186991019.db2.gz	SJJUIEGHTNNCSR-UHFFFAOYSA-N	-1	0	385.398	0.876	20	5		GCBDRM
Cn1ncc2c1ncnc2N1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000573253980	1187063366	/nfs/dbraw/zinc/06/33/66/1187063366.db2.gz	MDNNQXBUBSDSBG-UHFFFAOYSA-N	-1	0	384.356	0.691	20	5		GCBDRM
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000480500177	1187089148	/nfs/dbraw/zinc/08/91/48/1187089148.db2.gz	KNXQKYCEKMXTNS-NSHDSACASA-N	-1	0	394.413	0.586	20	5		GCBDRM
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ccc(Cl)cn1	ZINC000782600605	1187438058	/nfs/dbraw/zinc/43/80/58/1187438058.db2.gz	ZHDJUKPLYARKOH-UHFFFAOYSA-N	-1	0	398.784	0.878	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1	ZINC000414316247	1187827108	/nfs/dbraw/zinc/82/71/08/1187827108.db2.gz	HRMXRTCAGXHZAR-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
CO[C@H]1COCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000414337355	1187837939	/nfs/dbraw/zinc/83/79/39/1187837939.db2.gz	XHSZIQKQYVBJIY-MFKMUULPSA-N	-1	0	388.398	0.931	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1	ZINC000414354157	1187847862	/nfs/dbraw/zinc/84/78/62/1187847862.db2.gz	ZWURYQGBCCEHHB-GFCCVEGCSA-N	-1	0	383.382	0.725	20	5		GCBDRM
O=C([O-])c1cnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1	ZINC000416404351	1189511277	/nfs/dbraw/zinc/51/12/77/1189511277.db2.gz	QALJTTSWOPAPMB-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1	ZINC000416449419	1189521223	/nfs/dbraw/zinc/52/12/23/1189521223.db2.gz	VPHCNDJXCBZFGX-SKDRFNHKSA-N	-1	0	380.357	0.898	20	5		GCBDRM
CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1=O	ZINC000566316766	1189532026	/nfs/dbraw/zinc/53/20/26/1189532026.db2.gz	OHAJFEJJJFYGOK-VIFPVBQESA-N	-1	0	385.354	0.107	20	5		GCBDRM
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1	ZINC000728765483	1189604045	/nfs/dbraw/zinc/60/40/45/1189604045.db2.gz	MDBYGXXTKJQPOC-UHFFFAOYSA-N	-1	0	378.366	0.777	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000417444157	1189665368	/nfs/dbraw/zinc/66/53/68/1189665368.db2.gz	BYVHUOGYLKUNMH-QWHCGFSZSA-N	-1	0	385.398	0.583	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000417445247	1189665843	/nfs/dbraw/zinc/66/58/43/1189665843.db2.gz	GHTLUWVDUHYNHF-JSGCOSHPSA-N	-1	0	399.425	0.724	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000417448538	1189667426	/nfs/dbraw/zinc/66/74/26/1189667426.db2.gz	VDFSKJJLFQQVND-ZIAGYGMSSA-N	-1	0	399.425	0.724	20	5		GCBDRM
O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000053468493	1189715648	/nfs/dbraw/zinc/71/56/48/1189715648.db2.gz	PXBIKZUKGUQOID-UHFFFAOYSA-N	-1	0	396.363	0.894	20	5		GCBDRM
O=C([O-])CCCCCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000420578925	1194246013	/nfs/dbraw/zinc/24/60/13/1194246013.db2.gz	QNNSHQBRZLEYOZ-UHFFFAOYSA-N	-1	0	379.369	0.946	20	5		GCBDRM
CCCN1C[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1=O	ZINC000421811726	1194367308	/nfs/dbraw/zinc/36/73/08/1194367308.db2.gz	JKZOXKKIYBOQSR-SNVBAGLBSA-N	-1	0	385.398	0.830	20	5		GCBDRM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1	ZINC000273370956	1194558388	/nfs/dbraw/zinc/55/83/88/1194558388.db2.gz	CAXPORYSUJFUFS-UHFFFAOYSA-N	-1	0	396.381	0.576	20	5		GCBDRM
CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1=O	ZINC000273696057	1194584257	/nfs/dbraw/zinc/58/42/57/1194584257.db2.gz	JAXQCTSFKSUOIB-NSHDSACASA-N	-1	0	385.354	0.107	20	5		GCBDRM
Cc1c(C(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000422580948	1194671759	/nfs/dbraw/zinc/67/17/59/1194671759.db2.gz	NOPNFVVZWYNUOK-MWLCHTKSSA-N	-1	0	385.398	0.876	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000422659736	1194680391	/nfs/dbraw/zinc/68/03/91/1194680391.db2.gz	ITDSOECQEYOWFS-JTQLQIEISA-N	-1	0	379.325	0.770	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c([N+](=O)[O-])c1	ZINC000422657050	1194682736	/nfs/dbraw/zinc/68/27/36/1194682736.db2.gz	GYHSVIXMMBXJTD-LBPRGKRZSA-N	-1	0	381.341	0.854	20	5		GCBDRM
C[C@H](CN(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC000422712892	1194693197	/nfs/dbraw/zinc/69/31/97/1194693197.db2.gz	OWAWHRJFZFRQQN-GFCCVEGCSA-N	-1	0	378.385	0.423	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000422771912	1194697243	/nfs/dbraw/zinc/69/72/43/1194697243.db2.gz	WGYDPBCGXKZLIA-SFHVURJKSA-N	-1	0	390.396	0.567	20	5		GCBDRM
Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000424250711	1194806641	/nfs/dbraw/zinc/80/66/41/1194806641.db2.gz	JIYUAHXKCUIVFI-ISVAXAHUSA-N	-1	0	385.398	0.876	20	5		GCBDRM
C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-]	ZINC000424244171	1194807404	/nfs/dbraw/zinc/80/74/04/1194807404.db2.gz	JDQXGQCDXICHJA-HZMBPMFUSA-N	-1	0	385.398	0.585	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-]	ZINC000424392597	1194809343	/nfs/dbraw/zinc/80/93/43/1194809343.db2.gz	PQCLITVDWDIPTH-SNVBAGLBSA-N	-1	0	397.369	0.166	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1C	ZINC000424395687	1194810681	/nfs/dbraw/zinc/81/06/81/1194810681.db2.gz	VXYODTJMXKWKLD-JTQLQIEISA-N	-1	0	397.369	0.166	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1C	ZINC000424396780	1194810710	/nfs/dbraw/zinc/81/07/10/1194810710.db2.gz	YATFNWLMLLPNRH-SNVBAGLBSA-N	-1	0	397.369	0.166	20	5		GCBDRM
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000505347557	1194835237	/nfs/dbraw/zinc/83/52/37/1194835237.db2.gz	AZRRGCPHXJEVSA-UHFFFAOYSA-N	-1	0	392.393	0.842	20	5		GCBDRM
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000505488263	1194862987	/nfs/dbraw/zinc/86/29/87/1194862987.db2.gz	MHXRXDCUTWURSE-LLVKDONJSA-N	-1	0	385.398	0.066	20	5		GCBDRM
COc1ccc(CC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1[N+](=O)[O-]	ZINC000514822635	1194915201	/nfs/dbraw/zinc/91/52/01/1194915201.db2.gz	ZCJDIHYGKFCHHX-MLGOLLRUSA-N	-1	0	393.396	0.972	20	5		GCBDRM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000436624791	1195019571	/nfs/dbraw/zinc/01/95/71/1195019571.db2.gz	APGFVJRUAXTPSE-UHFFFAOYSA-N	-1	0	392.393	0.842	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C	ZINC000505859411	1195024060	/nfs/dbraw/zinc/02/40/60/1195024060.db2.gz	VRGDNYHGLWWSKX-MNOVXSKESA-N	-1	0	398.397	0.388	20	5		GCBDRM
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-]	ZINC000436697170	1195026449	/nfs/dbraw/zinc/02/64/49/1195026449.db2.gz	IXDDKNSKTJRXRJ-UHFFFAOYSA-N	-1	0	381.370	0.727	20	5		GCBDRM
CCC(CC)(NC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1)C(N)=O	ZINC000436703399	1195027125	/nfs/dbraw/zinc/02/71/25/1195027125.db2.gz	IITVQFQCRUDSJW-UHFFFAOYSA-N	-1	0	378.385	0.533	20	5		GCBDRM
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000436778317	1195035552	/nfs/dbraw/zinc/03/55/52/1195035552.db2.gz	QPJPNLGAHGIMKK-ZDUSSCGKSA-N	-1	0	394.428	0.599	20	5		GCBDRM
CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1O	ZINC000436793171	1195037818	/nfs/dbraw/zinc/03/78/18/1195037818.db2.gz	QCDAPPNFQHKADG-UONOGXRCSA-N	-1	0	395.412	0.759	20	5		GCBDRM
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000436961794	1195049781	/nfs/dbraw/zinc/04/97/81/1195049781.db2.gz	MYIHIYDFJWKSLR-CYBMUJFWSA-N	-1	0	394.428	0.599	20	5		GCBDRM
O=C(C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1)N1CCCC1	ZINC000436956724	1195051149	/nfs/dbraw/zinc/05/11/49/1195051149.db2.gz	TZRNZFWJKGGCSK-UHFFFAOYSA-N	-1	0	376.369	0.207	20	5		GCBDRM
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000436971862	1195051752	/nfs/dbraw/zinc/05/17/52/1195051752.db2.gz	LJCZBCXPWAEAOU-ZDUSSCGKSA-N	-1	0	392.412	0.306	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-]	ZINC000518383305	1195286113	/nfs/dbraw/zinc/28/61/13/1195286113.db2.gz	JJMPULDKWBNPOF-NSHDSACASA-N	-1	0	397.409	0.926	20	5		GCBDRM
C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(N)=O	ZINC000017817288	1195339322	/nfs/dbraw/zinc/33/93/22/1195339322.db2.gz	UTCSIZWFIIUOKV-JTQLQIEISA-N	-1	0	392.393	0.999	20	5		GCBDRM
NS(=O)(=O)c1cccc(N2CCC(n3cc(C(=O)[O-])cn3)CC2)c1[N+](=O)[O-]	ZINC000519534335	1195426586	/nfs/dbraw/zinc/42/65/86/1195426586.db2.gz	BUTUVPQQOARXOO-UHFFFAOYSA-N	-1	0	395.397	0.978	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C2CC2)C(=O)C1	ZINC000507743330	1195641438	/nfs/dbraw/zinc/64/14/38/1195641438.db2.gz	UWHNJFOZKCBROG-UHFFFAOYSA-N	-1	0	383.382	0.597	20	5		GCBDRM
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000442960940	1196013075	/nfs/dbraw/zinc/01/30/75/1196013075.db2.gz	XPISXKWRVYPCHH-UHFFFAOYSA-N	-1	0	396.347	0.749	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]c2cnc(OC)c(C(N)=O)c2)cc1[N+](=O)[O-]	ZINC000474394376	1196113419	/nfs/dbraw/zinc/11/34/19/1196113419.db2.gz	XZALQVIGIYEQKO-UHFFFAOYSA-N	-1	0	382.354	0.907	20	5		GCBDRM
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000508545775	1196597461	/nfs/dbraw/zinc/59/74/61/1196597461.db2.gz	QIQQTNIWEPNBNI-CYBMUJFWSA-N	-1	0	394.428	0.599	20	5		GCBDRM
COC[C@@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)[O-]	ZINC000449005336	1196846270	/nfs/dbraw/zinc/84/62/70/1196846270.db2.gz	UUKARXKBELLLCF-SNVBAGLBSA-N	-1	0	376.325	0.279	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(CC3(C)COC3)nn2)ccc1[N+](=O)[O-]	ZINC000760218357	1197230197	/nfs/dbraw/zinc/23/01/97/1197230197.db2.gz	KMTRMWLVVBFTDP-UHFFFAOYSA-N	-1	0	395.397	0.650	20	5		GCBDRM
O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000532793616	1197412437	/nfs/dbraw/zinc/41/24/37/1197412437.db2.gz	JGMBAFNJKFGUEC-SECBINFHSA-N	-1	0	393.791	0.897	20	5		GCBDRM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000619575928	1197458192	/nfs/dbraw/zinc/45/81/92/1197458192.db2.gz	CFFLUJJZVIDKLC-JTQLQIEISA-N	-1	0	388.384	0.943	20	5		GCBDRM
O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000508757645	1197571980	/nfs/dbraw/zinc/57/19/80/1197571980.db2.gz	ZMUPZKUJKUTUAZ-UHFFFAOYSA-N	-1	0	380.378	0.996	20	5		GCBDRM
COc1cncc(S(=O)(=O)N[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000542841063	1199073596	/nfs/dbraw/zinc/07/35/96/1199073596.db2.gz	HRRKPMCYOMASMK-ZDUSSCGKSA-N	-1	0	381.366	0.973	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@]12CCOC2	ZINC000766012979	1199917186	/nfs/dbraw/zinc/91/71/86/1199917186.db2.gz	MJWMDSLVSCAAKV-HOCLYGCPSA-N	-1	0	384.410	0.890	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](O)COc2ccc3c(c2)OCO3)n1	ZINC000592970962	1200749403	/nfs/dbraw/zinc/74/94/03/1200749403.db2.gz	JPXGHJYAFUQATK-JTQLQIEISA-N	-1	0	391.336	1.577	20	5		GCBDRM
Nc1nc(=O)[nH]cc1N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000580568170	1201179317	/nfs/dbraw/zinc/17/93/17/1201179317.db2.gz	XRRHJVDVBVBASG-UHFFFAOYSA-N	-1	0	394.775	0.994	20	5		GCBDRM
Nc1nc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc(N2CCOCC2)n1	ZINC000572627811	1201180753	/nfs/dbraw/zinc/18/07/53/1201180753.db2.gz	LBCYDLFPKNZTCC-UHFFFAOYSA-N	-1	0	395.763	0.810	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])n1	ZINC000611107342	1201216548	/nfs/dbraw/zinc/21/65/48/1201216548.db2.gz	KQEWAVOARZZLCU-STQMWFEESA-N	-1	0	387.462	0.733	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c([N+](=O)[O-])n1	ZINC000611107271	1201216722	/nfs/dbraw/zinc/21/67/22/1201216722.db2.gz	FDXXNWDQJYKFIA-GFCCVEGCSA-N	-1	0	385.446	0.881	20	5		GCBDRM
O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000727958356	1201386329	/nfs/dbraw/zinc/38/63/29/1201386329.db2.gz	YHZRVIZPYJOWOC-UHFFFAOYSA-N	-1	0	386.342	0.320	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730657866	1201460205	/nfs/dbraw/zinc/46/02/05/1201460205.db2.gz	CXFFKJSIFPIMEA-UHFFFAOYSA-N	-1	0	386.324	0.470	20	5		GCBDRM
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1	ZINC000731547586	1201488917	/nfs/dbraw/zinc/48/89/17/1201488917.db2.gz	OBQCTBLEDMTQNG-UHFFFAOYSA-N	-1	0	389.361	0.594	20	5		GCBDRM
O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000731548723	1201489391	/nfs/dbraw/zinc/48/93/91/1201489391.db2.gz	KKGIPPXGCAGSCT-ZDUSSCGKSA-N	-1	0	395.397	0.804	20	5		GCBDRM
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000731880658	1201507024	/nfs/dbraw/zinc/50/70/24/1201507024.db2.gz	UJSIOLQXAJSDKA-CQSZACIVSA-N	-1	0	389.372	0.158	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732498357	1201546075	/nfs/dbraw/zinc/54/60/75/1201546075.db2.gz	YBXZOLZNHIPLRU-JTQLQIEISA-N	-1	0	386.386	0.249	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732496054	1201546239	/nfs/dbraw/zinc/54/62/39/1201546239.db2.gz	VKINXZBNWJBFJQ-LLVKDONJSA-N	-1	0	394.365	0.693	20	5		GCBDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000732505666	1201547083	/nfs/dbraw/zinc/54/70/83/1201547083.db2.gz	GJOGRJTWJSOKBV-UHFFFAOYSA-N	-1	0	387.414	0.528	20	5		GCBDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1C(N)=O	ZINC000732618518	1201549968	/nfs/dbraw/zinc/54/99/68/1201549968.db2.gz	KBGSVBBNTBXDCC-UHFFFAOYSA-N	-1	0	395.397	0.439	20	5		GCBDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733716939	1201604523	/nfs/dbraw/zinc/60/45/23/1201604523.db2.gz	XOURCXJOQQEWGO-NXEZZACHSA-N	-1	0	389.386	0.273	20	5		GCBDRM
COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1=O	ZINC000734735258	1201662594	/nfs/dbraw/zinc/66/25/94/1201662594.db2.gz	BGODHXKEGVZIGU-NSHDSACASA-N	-1	0	385.398	0.203	20	5		GCBDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2ccccn2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000734968782	1201667278	/nfs/dbraw/zinc/66/72/78/1201667278.db2.gz	KFYJXQJYYOHFON-UHFFFAOYSA-N	-1	0	388.365	0.998	20	5		GCBDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)cc1C(N)=O	ZINC000741118256	1201758852	/nfs/dbraw/zinc/75/88/52/1201758852.db2.gz	HIONKHLCOCXTCV-UHFFFAOYSA-N	-1	0	381.370	0.094	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccn2c(=O)[nH]nc12	ZINC000766273731	1201782394	/nfs/dbraw/zinc/78/23/94/1201782394.db2.gz	ACXDQJAUVPFODU-UHFFFAOYSA-N	-1	0	377.338	0.603	20	5		GCBDRM
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744264381	1201839526	/nfs/dbraw/zinc/83/95/26/1201839526.db2.gz	XOMJOXFPOSASJD-UHFFFAOYSA-N	-1	0	398.319	0.402	20	5		GCBDRM
COCCCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000766971153	1201963555	/nfs/dbraw/zinc/96/35/55/1201963555.db2.gz	AMEMPZLGAIOYMH-UHFFFAOYSA-N	-1	0	387.414	0.587	20	5		GCBDRM
COCCCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000766967835	1201963663	/nfs/dbraw/zinc/96/36/63/1201963663.db2.gz	CVRBIHJADHXHGJ-UHFFFAOYSA-N	-1	0	383.386	0.662	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000768211184	1202006710	/nfs/dbraw/zinc/00/67/10/1202006710.db2.gz	RBTHJKLXFABSRO-UHFFFAOYSA-N	-1	0	398.397	0.503	20	5		GCBDRM
O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770774785	1202110896	/nfs/dbraw/zinc/11/08/96/1202110896.db2.gz	GDXKTJHEXAHYDB-UHFFFAOYSA-N	-1	0	381.341	0.969	20	5		GCBDRM
CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000771621936	1202151627	/nfs/dbraw/zinc/15/16/27/1202151627.db2.gz	PJKLMFSJHYDYKV-NSHDSACASA-N	-1	0	387.418	0.673	20	5		GCBDRM
O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCSC[C@H]1c1nnn[n-]1	ZINC000787903248	1205406325	/nfs/dbraw/zinc/40/63/25/1205406325.db2.gz	SBXPYADYXLKRHR-STQMWFEESA-N	-1	0	389.397	0.918	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1cn(CC2(C)COC2)nn1	ZINC000789487849	1205441167	/nfs/dbraw/zinc/44/11/67/1205441167.db2.gz	XWGLLEHTTFGIDU-UHFFFAOYSA-N	-1	0	395.397	0.650	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1	ZINC000789478342	1205441927	/nfs/dbraw/zinc/44/19/27/1205441927.db2.gz	GNXXOEQILUZUPV-UHFFFAOYSA-N	-1	0	388.365	0.998	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N2CCSC[C@@H]2c2nnn[n-]2)ccc1[N+](=O)[O-]	ZINC000789924179	1205451723	/nfs/dbraw/zinc/45/17/23/1205451723.db2.gz	VRNSPLLNIGOURF-GFCCVEGCSA-N	-1	0	391.413	0.463	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccon1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000747183333	1205513156	/nfs/dbraw/zinc/51/31/56/1205513156.db2.gz	BOADOFCWBDVWAR-UHFFFAOYSA-N	-1	0	378.326	0.423	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000809033065	1205616927	/nfs/dbraw/zinc/61/69/27/1205616927.db2.gz	WMESFWOMEVXFOF-UHFFFAOYSA-N	-1	0	395.397	0.262	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cn(C2CCOCC2)nn1	ZINC000810518851	1205639564	/nfs/dbraw/zinc/63/95/64/1205639564.db2.gz	VMNZXPTXJLNNNC-UHFFFAOYSA-N	-1	0	395.397	0.798	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)ccc1[N+](=O)[O-]	ZINC000810588920	1205640287	/nfs/dbraw/zinc/64/02/87/1205640287.db2.gz	ZCMPCBAGRWAIFC-JTQLQIEISA-N	-1	0	379.398	0.642	20	5		GCBDRM
COCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCOCC1	ZINC000810629625	1205640818	/nfs/dbraw/zinc/64/08/18/1205640818.db2.gz	KZSGQASIHKYWIP-UHFFFAOYSA-N	-1	0	388.398	0.852	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000747751329	1205659419	/nfs/dbraw/zinc/65/94/19/1205659419.db2.gz	GVEGKTDUZOBSRG-UHFFFAOYSA-N	-1	0	381.370	0.087	20	5		GCBDRM
CCOc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1OC	ZINC000747752398	1205659545	/nfs/dbraw/zinc/65/95/45/1205659545.db2.gz	RWOYJHIXZOHOIT-UHFFFAOYSA-N	-1	0	389.386	0.309	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000813950880	1205683325	/nfs/dbraw/zinc/68/33/25/1205683325.db2.gz	KLVVWBUPEXHDPI-NSHDSACASA-N	-1	0	384.414	0.223	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1C	ZINC000813952490	1205683721	/nfs/dbraw/zinc/68/37/21/1205683721.db2.gz	IWJQMXPLHRHWSU-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000813988858	1205684890	/nfs/dbraw/zinc/68/48/90/1205684890.db2.gz	RHYWSTNWDVROSG-UHFFFAOYSA-N	-1	0	382.354	0.527	20	5		GCBDRM
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(NCS(=O)(=O)[O-])CC1	ZINC001173693327	1205726487	/nfs/dbraw/zinc/72/64/87/1205726487.db2.gz	KWXIPNKSNYZIQK-UHFFFAOYSA-N	-1	0	379.416	0.183	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c(-c2ccncc2)n1	ZINC000774158386	1205864181	/nfs/dbraw/zinc/86/41/81/1205864181.db2.gz	TZFWZFHFEOSDQL-UHFFFAOYSA-N	-1	0	388.365	0.904	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774927147	1205929198	/nfs/dbraw/zinc/92/91/98/1205929198.db2.gz	UHPPRGGSKIWMPO-SSDOTTSWSA-N	-1	0	385.358	0.606	20	5		GCBDRM
O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@@H]1CS(=O)(=O)c2ccccc21	ZINC001190603904	1206040038	/nfs/dbraw/zinc/04/00/38/1206040038.db2.gz	RKYNPTIZTSKGLF-SNVBAGLBSA-N	-1	0	383.407	0.839	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1	ZINC000262806407	939073836	/nfs/dbraw/zinc/07/38/36/939073836.db2.gz	ORSQLSNLMFHRTM-DOMZBBRYSA-N	-1	0	379.369	0.711	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)ccc1[N+](=O)[O-]	ZINC000262841872	939077415	/nfs/dbraw/zinc/07/74/15/939077415.db2.gz	RKFCTEPRGIYSGH-IUODEOHRSA-N	-1	0	379.369	0.629	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)ccc1[N+](=O)[O-]	ZINC000262841874	939077721	/nfs/dbraw/zinc/07/77/21/939077721.db2.gz	RKFCTEPRGIYSGH-SWLSCSKDSA-N	-1	0	379.369	0.629	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCCOC1	ZINC000262856740	939079859	/nfs/dbraw/zinc/07/98/59/939079859.db2.gz	SXKCNXRFONTJNS-FZMZJTMJSA-N	-1	0	375.341	0.785	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N[C@H](C(=O)[O-])C2CCOCC2)ccc1[N+](=O)[O-]	ZINC000597161910	939802994	/nfs/dbraw/zinc/80/29/94/939802994.db2.gz	PCKYUCOTCDBXBR-HNNXBMFYSA-N	-1	0	379.369	0.629	20	5		GCBDRM
CC(=O)NCCNC(=O)CCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600879129	939806477	/nfs/dbraw/zinc/80/64/77/939806477.db2.gz	VOJTUSOUFDBFGI-KRWDZBQOSA-N	-1	0	394.384	0.043	20	5		GCBDRM
O=C([O-])C1=NO[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC001611362289	971012221	/nfs/dbraw/zinc/01/22/21/971012221.db2.gz	RZVAOCWIIHPSHG-ZDUSSCGKSA-N	-1	0	376.325	0.109	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826272443	947788860	/nfs/dbraw/zinc/78/88/60/947788860.db2.gz	JUPYKPXQKIWWCD-UHFFFAOYSA-N	-1	0	377.342	0.530	20	5		GCBDRM
C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1	ZINC001573640885	947854237	/nfs/dbraw/zinc/85/42/37/947854237.db2.gz	JRLQXYMCQUOGME-LBPRGKRZSA-N	-1	0	397.399	0.881	20	5		GCBDRM
C[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1	ZINC001573640884	947854385	/nfs/dbraw/zinc/85/43/85/947854385.db2.gz	JRLQXYMCQUOGME-GFCCVEGCSA-N	-1	0	397.399	0.881	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000826358371	948112519	/nfs/dbraw/zinc/11/25/19/948112519.db2.gz	QVAIOVFEIJULFH-UHFFFAOYSA-N	-1	0	395.332	0.371	20	5		GCBDRM
O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000364399565	971540429	/nfs/dbraw/zinc/54/04/29/971540429.db2.gz	JPUAZELKACUOOR-SECBINFHSA-N	-1	0	388.354	0.230	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000170307539	949484744	/nfs/dbraw/zinc/48/47/44/949484744.db2.gz	UIWJARPJHPWNBD-LLVKDONJSA-N	-1	0	397.409	0.681	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC000263099872	950264147	/nfs/dbraw/zinc/26/41/47/950264147.db2.gz	UALTWKQBCRFINP-QGZVFWFLSA-N	-1	0	379.369	0.583	20	5		GCBDRM
CCN(CC)S(=O)(=O)c1ccc(N2CCOC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC001589727328	950471020	/nfs/dbraw/zinc/47/10/20/950471020.db2.gz	IWCZKGBSDLXOCF-CQSZACIVSA-N	-1	0	387.414	0.915	20	5		GCBDRM
CCOC(=O)c1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc([N+](=O)[O-])c1	ZINC001591087661	951048779	/nfs/dbraw/zinc/04/87/79/951048779.db2.gz	IYWNBTREHSQIJE-SJCJKPOMSA-N	-1	0	378.337	0.945	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1=O	ZINC001595089166	951756189	/nfs/dbraw/zinc/75/61/89/951756189.db2.gz	AQACWKCDUGJPLC-CYBMUJFWSA-N	-1	0	378.385	0.979	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O	ZINC001595093198	951797893	/nfs/dbraw/zinc/79/78/93/951797893.db2.gz	GSVBBIUTSAHLHP-NSHDSACASA-N	-1	0	393.352	0.562	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC001595168369	952213699	/nfs/dbraw/zinc/21/36/99/952213699.db2.gz	HOBRRMYESNSSLV-AWEZNQCLSA-N	-1	0	384.414	0.511	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])c3cccnc31)C2	ZINC001595192802	952294592	/nfs/dbraw/zinc/29/45/92/952294592.db2.gz	ZVRLJYZGUYTXPS-QFYYESIMSA-N	-1	0	393.377	0.865	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@](C)(O)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000471453166	953519087	/nfs/dbraw/zinc/51/90/87/953519087.db2.gz	QUQALCLBCRZMGC-GUYCJALGSA-N	-1	0	379.369	0.460	20	5		GCBDRM
CCc1[nH]nc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-]	ZINC001593625704	953549439	/nfs/dbraw/zinc/54/94/39/953549439.db2.gz	PWBSGWIGRQXHIQ-SECBINFHSA-N	-1	0	379.373	0.418	20	5		GCBDRM
C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000566235370	953624268	/nfs/dbraw/zinc/62/42/68/953624268.db2.gz	SJCQJHQCEZUCMD-SMDDNHRTSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001589298252	953666076	/nfs/dbraw/zinc/66/60/76/953666076.db2.gz	KQXOBXUNUFKGMY-NXEZZACHSA-N	-1	0	375.337	0.903	20	5		GCBDRM
O=C([O-])[C@H]1C[C@H](NC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC001594795348	953713466	/nfs/dbraw/zinc/71/34/66/953713466.db2.gz	LYZBAXZBDWDBKL-HAQNSBGRSA-N	-1	0	376.369	0.925	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000581074753	953716341	/nfs/dbraw/zinc/71/63/41/953716341.db2.gz	PFZQLHSZCFTORW-CQSZACIVSA-N	-1	0	399.425	0.785	20	5		GCBDRM
O=C([O-])C1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC001594941205	954894559	/nfs/dbraw/zinc/89/45/59/954894559.db2.gz	BIARXNWLTZBKSC-ZDUSSCGKSA-N	-1	0	383.382	0.291	20	5		GCBDRM
COC(=O)C1CC2(C1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]2C(=O)[O-]	ZINC001593824944	955090893	/nfs/dbraw/zinc/09/08/93/955090893.db2.gz	BUDZTGLMKDMHCG-QCIACWGRSA-N	-1	0	398.393	0.869	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCO1	ZINC001593984151	956744244	/nfs/dbraw/zinc/74/42/44/956744244.db2.gz	NNGWIBRPIYPBDP-HNNXBMFYSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1	ZINC001593984815	956755728	/nfs/dbraw/zinc/75/57/28/956755728.db2.gz	AKSYNGJOXJOHSU-HNNXBMFYSA-N	-1	0	387.776	0.989	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001594329972	958210579	/nfs/dbraw/zinc/21/05/79/958210579.db2.gz	UQHJXUZKOACOSR-GFCCVEGCSA-N	-1	0	399.425	0.956	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC001573484786	958989408	/nfs/dbraw/zinc/98/94/08/958989408.db2.gz	POGWPAXWBFXEGU-ZDUSSCGKSA-N	-1	0	387.414	0.688	20	5		GCBDRM
CS(=O)(=O)c1ccc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)c([N+](=O)[O-])c1	ZINC001594174125	959023862	/nfs/dbraw/zinc/02/38/62/959023862.db2.gz	RHMZAUZPBVAHIP-LBPRGKRZSA-N	-1	0	385.398	0.876	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001574381619	961104831	/nfs/dbraw/zinc/10/48/31/961104831.db2.gz	BXIABQKKVXGQNH-LBPRGKRZSA-N	-1	0	385.398	0.647	20	5		GCBDRM
COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC001329655174	961287547	/nfs/dbraw/zinc/28/75/47/961287547.db2.gz	DIKTYIHIIITJNE-QGZVFWFLSA-N	-1	0	379.369	0.605	20	5		GCBDRM
COc1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)ccc1[N+](=O)[O-]	ZINC001331883190	961402257	/nfs/dbraw/zinc/40/22/57/961402257.db2.gz	NGJDDGWIVFUZEG-QGZVFWFLSA-N	-1	0	379.369	0.605	20	5		GCBDRM
C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[C@H]1C(=O)[O-]	ZINC000262834741	961900323	/nfs/dbraw/zinc/90/03/23/961900323.db2.gz	CNFQKVODTQUNEH-CMPLNLGQSA-N	-1	0	377.353	0.889	20	5		GCBDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263188360	962344548	/nfs/dbraw/zinc/34/45/48/962344548.db2.gz	XNAPOVHOLOGUCS-GXFFZTMASA-N	-1	0	385.398	0.585	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CCO1	ZINC001574144630	962608495	/nfs/dbraw/zinc/60/84/95/962608495.db2.gz	ANKREHYUWCSRCK-HNNXBMFYSA-N	-1	0	388.398	0.702	20	5		GCBDRM
CC(C)c1[nH]nc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-]	ZINC001588963813	962640680	/nfs/dbraw/zinc/64/06/80/962640680.db2.gz	WCHJLAYSCHCPCD-JTQLQIEISA-N	-1	0	393.400	0.979	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001574177134	962794946	/nfs/dbraw/zinc/79/49/46/962794946.db2.gz	LDIZHNGQYKPWEH-RTHLEPHNSA-N	-1	0	390.345	0.464	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(C2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)C1	ZINC001329602089	969713346	/nfs/dbraw/zinc/71/33/46/969713346.db2.gz	ABGYDELZNDDEAG-LBPRGKRZSA-N	-1	0	390.396	0.931	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c([N+](=O)[O-])s1	ZINC001605219581	972966924	/nfs/dbraw/zinc/96/69/24/972966924.db2.gz	IPVXEIZHKMCAHY-SECBINFHSA-N	-1	0	391.427	0.709	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c(C)cc1[N+](=O)[O-]	ZINC001605219908	972969770	/nfs/dbraw/zinc/96/97/70/972969770.db2.gz	UPSMWTXNFMVUMF-LBPRGKRZSA-N	-1	0	399.425	0.956	20	5		GCBDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC001604423330	973199682	/nfs/dbraw/zinc/19/96/82/973199682.db2.gz	YRWJFXAXGZDRPB-CYBMUJFWSA-N	-1	0	377.357	0.609	20	5		GCBDRM
C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-]	ZINC001603442534	973234282	/nfs/dbraw/zinc/23/42/82/973234282.db2.gz	FQYKFIPCTUZBDB-SMDDNHRTSA-N	-1	0	378.385	0.963	20	5		GCBDRM
O=C([O-])CN1CCC[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O	ZINC001606251332	973555088	/nfs/dbraw/zinc/55/50/88/973555088.db2.gz	OCODOMVIMWTIDF-OAHLLOKOSA-N	-1	0	390.396	0.567	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCO1	ZINC001604556911	973590988	/nfs/dbraw/zinc/59/09/88/973590988.db2.gz	IUTXIXBAKABFMN-INIZCTEOSA-N	-1	0	385.348	0.742	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1=O	ZINC001606258993	973617490	/nfs/dbraw/zinc/61/74/90/973617490.db2.gz	LZDAAXBHDIPZCB-LBPRGKRZSA-N	-1	0	385.398	0.480	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CCO1	ZINC001604565256	973630110	/nfs/dbraw/zinc/63/01/10/973630110.db2.gz	SLTKKZUJNBHQND-AWEZNQCLSA-N	-1	0	392.361	0.533	20	5		GCBDRM
CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000478831160	974209595	/nfs/dbraw/zinc/20/95/95/974209595.db2.gz	VLVVWMUREUVIKQ-UHFFFAOYSA-N	-1	0	375.337	0.879	20	5		GCBDRM
CO[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1	ZINC000563451647	974533053	/nfs/dbraw/zinc/53/30/53/974533053.db2.gz	ZVHKJIVLQDKFLT-FZMZJTMJSA-N	-1	0	375.341	0.880	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1	ZINC000563451648	974533317	/nfs/dbraw/zinc/53/33/17/974533317.db2.gz	ZVHKJIVLQDKFLT-RISCZKNCSA-N	-1	0	375.341	0.880	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2cccnn2)CC1	ZINC000565831235	974588776	/nfs/dbraw/zinc/58/87/76/974588776.db2.gz	KQHKKWCDURRLIS-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](n2ccnn2)C1	ZINC000571204244	974724567	/nfs/dbraw/zinc/72/45/67/974724567.db2.gz	IMJHMZLRAHFZJP-NSHDSACASA-N	-1	0	381.370	0.910	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](n2ccnn2)C1	ZINC000571204239	974724647	/nfs/dbraw/zinc/72/46/47/974724647.db2.gz	IMJHMZLRAHFZJP-LLVKDONJSA-N	-1	0	381.370	0.910	20	5		GCBDRM
O=C([O-])C1CCN(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000571657336	974733219	/nfs/dbraw/zinc/73/32/19/974733219.db2.gz	KSQVLAVBCSBFNR-UHFFFAOYSA-N	-1	0	398.441	0.758	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000591652760	974971888	/nfs/dbraw/zinc/97/18/88/974971888.db2.gz	QBOMHALWPHIDHY-KRWDZBQOSA-N	-1	0	379.369	0.725	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000591652492	974971969	/nfs/dbraw/zinc/97/19/69/974971969.db2.gz	IACURFRHTKLMGF-HNNXBMFYSA-N	-1	0	386.382	0.704	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@]2(CCOC2)O1	ZINC000592141505	974973513	/nfs/dbraw/zinc/97/35/13/974973513.db2.gz	AGBSDOOIHFIAJU-ZUZCIYMTSA-N	-1	0	386.382	0.862	20	5		GCBDRM
O=C([O-])C12CC(C1)CN2C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000595245652	974992851	/nfs/dbraw/zinc/99/28/51/974992851.db2.gz	YVKCXZZWUWXUDG-UHFFFAOYSA-N	-1	0	383.382	0.339	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000600656112	975002577	/nfs/dbraw/zinc/00/25/77/975002577.db2.gz	GBABKGUSFFQOLI-UHFFFAOYSA-N	-1	0	387.414	0.773	20	5		GCBDRM
CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@@](C)(C(=O)[O-])C1	ZINC000600876067	975010990	/nfs/dbraw/zinc/01/09/90/975010990.db2.gz	VKEJPQZUHRVYLR-XHDPSFHLSA-N	-1	0	386.382	0.703	20	5		GCBDRM
CC(C)OC[C@H](CO)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001591718632	975629214	/nfs/dbraw/zinc/62/92/14/975629214.db2.gz	RQVCUFWCHZXAFN-JTQLQIEISA-N	-1	0	376.387	0.699	20	5		GCBDRM
C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000737707692	978434794	/nfs/dbraw/zinc/43/47/94/978434794.db2.gz	SRQPWWPCBYCBIU-SNVBAGLBSA-N	-1	0	381.341	0.011	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000738361199	978523801	/nfs/dbraw/zinc/52/38/01/978523801.db2.gz	KJBRKRSMDMHJBE-JTQLQIEISA-N	-1	0	382.373	0.745	20	5		GCBDRM
COc1cc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])cc1OC	ZINC000818320011	978917131	/nfs/dbraw/zinc/91/71/31/978917131.db2.gz	NRHPHTQDMPMCDZ-VIFPVBQESA-N	-1	0	391.340	0.989	20	5		GCBDRM
CC[C@@](C)(CC(=O)[O-])NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000828623163	978985833	/nfs/dbraw/zinc/98/58/33/978985833.db2.gz	IQBPRHKIJULCMS-HNNXBMFYSA-N	-1	0	387.414	0.975	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN(C/C=C(\C)C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000832454926	979045774	/nfs/dbraw/zinc/04/57/74/979045774.db2.gz	FAQCDWUKOUFVEH-LFYBBSHMSA-N	-1	0	399.425	0.941	20	5		GCBDRM
C[C@](CO)(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1	ZINC001592750351	979310835	/nfs/dbraw/zinc/31/08/35/979310835.db2.gz	KYJXISSFTODBHY-OAHLLOKOSA-N	-1	0	387.414	0.433	20	5		GCBDRM
CCN(CC)S(=O)(=O)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000844207084	979355046	/nfs/dbraw/zinc/35/50/46/979355046.db2.gz	WKBOGWFZZOXNRD-UHFFFAOYSA-N	-1	0	387.418	0.397	20	5		GCBDRM
C[C@@](NC(=O)CCC(=O)N1CCC(O)CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593015181	980260978	/nfs/dbraw/zinc/26/09/78/980260978.db2.gz	IBAYISNSGWGFAD-SFHVURJKSA-N	-1	0	393.396	0.774	20	5		GCBDRM
CC[C@H](C)[C@@H](NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)[O-]	ZINC001594894672	982326012	/nfs/dbraw/zinc/32/60/12/982326012.db2.gz	XCXWNALVJZXXGR-BLLLJJGKSA-N	-1	0	379.417	0.727	20	5		GCBDRM
CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001594989748	982845586	/nfs/dbraw/zinc/84/55/86/982845586.db2.gz	QSPFKVKDFNXHDX-LBPRGKRZSA-N	-1	0	392.412	0.966	20	5		GCBDRM
CCCN1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1=O	ZINC001595909376	982995795	/nfs/dbraw/zinc/99/57/95/982995795.db2.gz	JNBBJPDRCOAGRP-UHFFFAOYSA-N	-1	0	385.398	0.926	20	5		GCBDRM
CCNC(=O)CN1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001596462049	984174491	/nfs/dbraw/zinc/17/44/91/984174491.db2.gz	QTIHLERSZFTOFO-UHFFFAOYSA-N	-1	0	378.385	0.577	20	5		GCBDRM
C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C(=O)[O-])O1	ZINC001599912146	984999445	/nfs/dbraw/zinc/99/94/45/984999445.db2.gz	JYNHIZJNKIZDDO-NHCYSSNCSA-N	-1	0	381.341	0.493	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC[S@](=O)C1	ZINC001594555303	986283981	/nfs/dbraw/zinc/28/39/81/986283981.db2.gz	UNRJGFICKRXRNO-KLVQOETNSA-N	-1	0	376.412	0.682	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC[S@](=O)C1	ZINC001594555319	986284495	/nfs/dbraw/zinc/28/44/95/986284495.db2.gz	UNRJGFICKRXRNO-WBNWAKSLSA-N	-1	0	376.412	0.682	20	5		GCBDRM
C[C@@H]1CN(CCO)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001594557259	986303968	/nfs/dbraw/zinc/30/39/68/986303968.db2.gz	WULGCPMAXONZFN-WDEREUQCSA-N	-1	0	387.414	0.369	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCS(=O)(=O)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001594562050	986327802	/nfs/dbraw/zinc/32/78/02/986327802.db2.gz	NIFIJTFEPCTYHM-QWRGUYRKSA-N	-1	0	399.425	0.669	20	5		GCBDRM
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001589398352	986551534	/nfs/dbraw/zinc/55/15/34/986551534.db2.gz	NMSNKNIJEHFUPN-NSHDSACASA-N	-1	0	390.396	0.718	20	5		GCBDRM
C[C@@H]1OCC[C@@]12CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])CCO2	ZINC001594642384	986805143	/nfs/dbraw/zinc/80/51/43/986805143.db2.gz	JYZOSOCULJDAOV-ZUZCIYMTSA-N	-1	0	386.382	0.862	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c([N+](=O)[O-])n1	ZINC001597898183	989765849	/nfs/dbraw/zinc/76/58/49/989765849.db2.gz	LQIDSUUYKDULAD-RCWTZXSCSA-N	-1	0	388.402	0.595	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c([N+](=O)[O-])n1	ZINC001597898182	989766032	/nfs/dbraw/zinc/76/60/32/989766032.db2.gz	LQIDSUUYKDULAD-CHWFTXMASA-N	-1	0	388.402	0.595	20	5		GCBDRM
CN([C@H]1CCN2CCO[C@H]1C2)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001598375310	991559144	/nfs/dbraw/zinc/55/91/44/991559144.db2.gz	TWUUSVUFJFPKFM-JSGCOSHPSA-N	-1	0	385.398	0.387	20	5		GCBDRM
CN(CC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598386722	991609826	/nfs/dbraw/zinc/60/98/26/991609826.db2.gz	JWMCNTTUZFRCER-LLVKDONJSA-N	-1	0	383.382	0.505	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598493852	992338660	/nfs/dbraw/zinc/33/86/60/992338660.db2.gz	FPCBMVVUFPNHIM-PHIMTYICSA-N	-1	0	385.398	0.442	20	5		GCBDRM
CC(C)N(C[C@H]1CCC(=O)N1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001591574459	992783861	/nfs/dbraw/zinc/78/38/61/992783861.db2.gz	LQIMYAWBMWSZIL-SNVBAGLBSA-N	-1	0	385.398	0.971	20	5		GCBDRM
CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001598556025	993058163	/nfs/dbraw/zinc/05/81/63/993058163.db2.gz	ILYWJUBJTGKESB-SFHVURJKSA-N	-1	0	393.396	0.639	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O	ZINC001598566347	993149029	/nfs/dbraw/zinc/14/90/29/993149029.db2.gz	VIECTGYWKVIQHK-VIFPVBQESA-N	-1	0	377.762	0.164	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1	ZINC001598620310	993994319	/nfs/dbraw/zinc/99/43/19/993994319.db2.gz	WTZCUNONOCABOJ-NSHDSACASA-N	-1	0	394.409	0.780	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593170791	994027960	/nfs/dbraw/zinc/02/79/60/994027960.db2.gz	PEPNEFXPUFEMMF-GFCCVEGCSA-N	-1	0	380.401	0.932	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001599623242	994113003	/nfs/dbraw/zinc/11/30/03/994113003.db2.gz	WWZHCUZCHSARAO-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
C[C@H](O)c1cn(C2CN(Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C2)nn1	ZINC001593476879	995412038	/nfs/dbraw/zinc/41/20/38/995412038.db2.gz	BPHUOOSRTXIWBQ-JTQLQIEISA-N	-1	0	377.357	0.760	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC001598751934	995664950	/nfs/dbraw/zinc/66/49/50/995664950.db2.gz	RGIRXPWBJSPUQD-BXUZGUMPSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC001598769652	995872372	/nfs/dbraw/zinc/87/23/72/995872372.db2.gz	CBMKAAJGNMTFLB-YPMHNXCESA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC001598771276	995885604	/nfs/dbraw/zinc/88/56/04/995885604.db2.gz	RZECKNGLOGPNCY-WPRPVWTQSA-N	-1	0	380.309	0.802	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1	ZINC001598773500	995906660	/nfs/dbraw/zinc/90/66/60/995906660.db2.gz	ASBZHDCORTXMBR-DOMZBBRYSA-N	-1	0	391.380	0.822	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	ZINC001598773856	995909555	/nfs/dbraw/zinc/90/95/55/995909555.db2.gz	JKRRMGLIVDLJEG-FZMZJTMJSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC001598784829	996020064	/nfs/dbraw/zinc/02/00/64/996020064.db2.gz	LUPLRSRLQPTBPV-JQWIXIFHSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC001598786008	996029538	/nfs/dbraw/zinc/02/95/38/996029538.db2.gz	XHQZMLQCNYKGIP-GXFFZTMASA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598822972	996350147	/nfs/dbraw/zinc/35/01/47/996350147.db2.gz	APWALRHENTULCZ-YUMQZZPRSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C(=O)[O-]	ZINC001598824923	996371873	/nfs/dbraw/zinc/37/18/73/996371873.db2.gz	ITTFBJCSDAHWGA-MNOVXSKESA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598825742	996380171	/nfs/dbraw/zinc/38/01/71/996380171.db2.gz	LHTRFKULEVWUCN-MNOVXSKESA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598826561	996389448	/nfs/dbraw/zinc/38/94/48/996389448.db2.gz	NIGUMSJASZBNJW-IUCAKERBSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC001598827500	996398747	/nfs/dbraw/zinc/39/87/47/996398747.db2.gz	RKKKXATZAWMEQC-NXEZZACHSA-N	-1	0	390.345	0.537	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC001598860290	996669101	/nfs/dbraw/zinc/66/91/01/996669101.db2.gz	UYSIOVWSDATBOJ-UHFFFAOYSA-N	-1	0	389.158	0.986	20	5		GCBDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC001598890619	996986071	/nfs/dbraw/zinc/98/60/71/996986071.db2.gz	IPKFPBBPOLUCSS-CYBMUJFWSA-N	-1	0	382.325	0.605	20	5		GCBDRM
COC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001598894180	997048040	/nfs/dbraw/zinc/04/80/40/997048040.db2.gz	QNVVZUQYPBXOQK-JTQLQIEISA-N	-1	0	394.308	0.864	20	5		GCBDRM
COC(=O)[C@H]1[C@@H]2CN(c3ccc(C(=O)N[C@H](C)C(=O)[O-])cc3[N+](=O)[O-])C[C@@H]21	ZINC001598901842	997186600	/nfs/dbraw/zinc/18/66/00/997186600.db2.gz	KJIHZZKPFLSNOD-GJTWSCIVSA-N	-1	0	377.353	0.653	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001599399452	997188408	/nfs/dbraw/zinc/18/84/08/997188408.db2.gz	HDJYBVTYYBENSB-SDBXPKJASA-N	-1	0	388.279	0.877	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC001599401118	997216136	/nfs/dbraw/zinc/21/61/36/997216136.db2.gz	XQYNTQBTFFDYEV-WCQYABFASA-N	-1	0	396.352	0.885	20	5		GCBDRM
COc1cc(CCNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC001599403364	997253286	/nfs/dbraw/zinc/25/32/86/997253286.db2.gz	QFWSNQQSOQBYIR-IAQYHMDHSA-N	-1	0	397.384	0.943	20	5		GCBDRM
CO[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1	ZINC001599120433	997729372	/nfs/dbraw/zinc/72/93/72/997729372.db2.gz	AHQRTAAVGAAWSY-CMPLNLGQSA-N	-1	0	386.382	0.703	20	5		GCBDRM
COCC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001599139646	998105589	/nfs/dbraw/zinc/10/55/89/998105589.db2.gz	ONDVLQLKILFSKH-LLVKDONJSA-N	-1	0	394.384	0.093	20	5		GCBDRM
COCCN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1	ZINC001599244136	998107629	/nfs/dbraw/zinc/10/76/29/998107629.db2.gz	VRPWKJNIARDVJF-NSHDSACASA-N	-1	0	387.414	0.682	20	5		GCBDRM
COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001599248772	998193236	/nfs/dbraw/zinc/19/32/36/998193236.db2.gz	YYJSLPDWDSGPAX-ABAIWWIYSA-N	-1	0	382.369	0.779	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001599461719	998283776	/nfs/dbraw/zinc/28/37/76/998283776.db2.gz	BKUZGFHBWKUUPI-KRWDZBQOSA-N	-1	0	394.384	0.997	20	5		GCBDRM
COc1ccc(CNC(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cc1OC	ZINC001599566471	998295214	/nfs/dbraw/zinc/29/52/14/998295214.db2.gz	WYAZJEODEGMUHX-UHFFFAOYSA-N	-1	0	391.336	0.788	20	5		GCBDRM
COCCn1nnc2c1CCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C2	ZINC001599273160	998571946	/nfs/dbraw/zinc/57/19/46/998571946.db2.gz	HDBLHHWZNXSLNR-UHFFFAOYSA-N	-1	0	391.384	0.854	20	5		GCBDRM
C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@@H](C)C(=O)N1C	ZINC001594177102	998685264	/nfs/dbraw/zinc/68/52/64/998685264.db2.gz	ROOYUUGIASQMBM-UTLUCORTSA-N	-1	0	385.398	0.921	20	5		GCBDRM
C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1=O	ZINC001594276707	999069440	/nfs/dbraw/zinc/06/94/40/999069440.db2.gz	FMPFOAQMNTZCQP-VDDIYKPWSA-N	-1	0	383.382	0.581	20	5		GCBDRM
C[C@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](C(=O)[O-])C1	ZINC001594400730	999499395	/nfs/dbraw/zinc/49/93/95/999499395.db2.gz	KONYRANTQZYKRG-CABZTGNLSA-N	-1	0	375.337	0.903	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](C(=O)[O-])C1	ZINC001594400732	999499798	/nfs/dbraw/zinc/49/97/98/999499798.db2.gz	KONYRANTQZYKRG-SKDRFNHKSA-N	-1	0	375.337	0.903	20	5		GCBDRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccnn1[C@H]1CCS(=O)(=O)C1	ZINC000437323833	530123503	/nfs/dbraw/zinc/12/35/03/530123503.db2.gz	NOQHLULUXMZRLY-JTQLQIEISA-N	-1	0	386.411	0.952	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000262402597	530135154	/nfs/dbraw/zinc/13/51/54/530135154.db2.gz	KFNHESGKESAQQO-MRVPVSSYSA-N	-1	0	377.350	0.334	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000579717949	530193557	/nfs/dbraw/zinc/19/35/57/530193557.db2.gz	MDJSLSGVKCLCKD-QMMMGPOBSA-N	-1	0	380.400	0.395	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C(=O)OC(C)(C)C)CCOC2)n1	ZINC000599341210	530161198	/nfs/dbraw/zinc/16/11/98/530161198.db2.gz	HUPYLYLRJSQQAR-CYBMUJFWSA-N	-1	0	376.391	0.107	20	5		GCBDRM
CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1	ZINC000599293745	530162127	/nfs/dbraw/zinc/16/21/27/530162127.db2.gz	YYCYZENEIHQIET-UHFFFAOYSA-N	-1	0	394.456	0.662	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)c3ccccc32)n1	ZINC000599315716	530162203	/nfs/dbraw/zinc/16/22/03/530162203.db2.gz	QXRRBALXLRWGSV-VIFPVBQESA-N	-1	0	386.411	0.178	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CS(C)(=O)=O)c2ccccc2)n1	ZINC000599262341	530162482	/nfs/dbraw/zinc/16/24/82/530162482.db2.gz	DQXYTFTZXWGWOD-LLVKDONJSA-N	-1	0	388.427	0.393	20	5		GCBDRM
O=C(NCc1n[nH]c(=O)[n-]1)c1cc(I)cc([N+](=O)[O-])c1	ZINC000157060147	530208324	/nfs/dbraw/zinc/20/83/24/530208324.db2.gz	LKKVGCPTCGSFGB-UHFFFAOYSA-N	-1	0	389.109	0.541	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000477141519	530216681	/nfs/dbraw/zinc/21/66/81/530216681.db2.gz	GGIHNZHOYMNOCG-QWRGUYRKSA-N	-1	0	395.434	0.873	20	5		GCBDRM
Cc1nn(CCC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c(C)c1[N+](=O)[O-]	ZINC000263762310	530255831	/nfs/dbraw/zinc/25/58/31/530255831.db2.gz	CZIHQRSVESVGFC-UHFFFAOYSA-N	-1	0	389.419	0.660	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)c([N+](=O)[O-])n1	ZINC000435721809	530257069	/nfs/dbraw/zinc/25/70/69/530257069.db2.gz	FOZHSBLDLLIWNJ-UHFFFAOYSA-N	-1	0	389.415	0.401	20	5		GCBDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1	ZINC000516144985	530310780	/nfs/dbraw/zinc/31/07/80/530310780.db2.gz	FMXUDOBDYCCVPC-UHFFFAOYSA-N	-1	0	387.355	0.799	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000572758746	530318822	/nfs/dbraw/zinc/31/88/22/530318822.db2.gz	WVDWHKFMFHQCAU-QMMMGPOBSA-N	-1	0	378.384	0.067	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000572758745	530318897	/nfs/dbraw/zinc/31/88/97/530318897.db2.gz	WVDWHKFMFHQCAU-MRVPVSSYSA-N	-1	0	378.384	0.067	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)NCC(=O)NCC(F)(F)F)ccc1[N+](=O)[O-]	ZINC000570848158	530326146	/nfs/dbraw/zinc/32/61/46/530326146.db2.gz	GEEYLKCMJXRCBD-UHFFFAOYSA-N	-1	0	385.276	0.250	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000570839922	530326180	/nfs/dbraw/zinc/32/61/80/530326180.db2.gz	SGYDSRMJPVLGFQ-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
CCOC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000290686251	530369469	/nfs/dbraw/zinc/36/94/69/530369469.db2.gz	QLWSOQMLUOLCIK-QMMMGPOBSA-N	-1	0	376.343	0.134	20	5		GCBDRM
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000563231512	530348864	/nfs/dbraw/zinc/34/88/64/530348864.db2.gz	KFKZPKBWUYVVTR-SECBINFHSA-N	-1	0	378.384	0.101	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000563231807	530348913	/nfs/dbraw/zinc/34/89/13/530348913.db2.gz	ONEVPGQEKMDPRE-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
COCCCN(CCOC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000564449075	530350750	/nfs/dbraw/zinc/35/07/50/530350750.db2.gz	WEIQVFJFJJKBDK-UHFFFAOYSA-N	-1	0	376.387	0.967	20	5		GCBDRM
C[C@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCS(=O)(=O)C1	ZINC000566180459	530372660	/nfs/dbraw/zinc/37/26/60/530372660.db2.gz	LOHOMKNVZXEZNN-LBPRGKRZSA-N	-1	0	378.384	0.149	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)NCCCCS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000566173319	530372780	/nfs/dbraw/zinc/37/27/80/530372780.db2.gz	KIQPZUDKQCDABY-UHFFFAOYSA-N	-1	0	394.427	0.705	20	5		GCBDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000566317618	530374448	/nfs/dbraw/zinc/37/44/48/530374448.db2.gz	WLHXFTRLJSYNID-RKDXNWHRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
COC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000264445745	530370177	/nfs/dbraw/zinc/37/01/77/530370177.db2.gz	CTOLWAOMDGRHFW-VIFPVBQESA-N	-1	0	380.762	0.851	20	5		GCBDRM
C[C@H]([C@H](C)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])S(C)(=O)=O	ZINC000566919796	530412656	/nfs/dbraw/zinc/41/26/56/530412656.db2.gz	YLLDEYVPRICNAQ-DTWKUNHWSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=[N+]([O-])c1ccc([O-])cc1CS(=O)(=O)Cc1nnnn1CC(F)(F)F	ZINC000593204710	530420534	/nfs/dbraw/zinc/42/05/34/530420534.db2.gz	AIJQHQCBRHKOIH-UHFFFAOYSA-N	-1	0	381.292	0.964	20	5		GCBDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000567796832	530471212	/nfs/dbraw/zinc/47/12/12/530471212.db2.gz	IAYFWRTXRZPOGF-RKDXNWHRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)Cc1ccccc1	ZINC000569671179	530500645	/nfs/dbraw/zinc/50/06/45/530500645.db2.gz	DJJPXALZPVJHJT-GXFFZTMASA-N	-1	0	386.407	0.991	20	5		GCBDRM
Cn1cnc(S(=O)(=O)NCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000568311207	530486149	/nfs/dbraw/zinc/48/61/49/530486149.db2.gz	CLTSYYPAEUGXSV-UHFFFAOYSA-N	-1	0	389.777	0.604	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000569007795	530495075	/nfs/dbraw/zinc/49/50/75/530495075.db2.gz	IUUKANQHQHYOJR-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
COC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000294211429	530516044	/nfs/dbraw/zinc/51/60/44/530516044.db2.gz	CTOLWAOMDGRHFW-SECBINFHSA-N	-1	0	380.762	0.851	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)S(C)(=O)=O	ZINC000542240612	530527561	/nfs/dbraw/zinc/52/75/61/530527561.db2.gz	MDZMRISOGCENQJ-QMMMGPOBSA-N	-1	0	380.400	0.093	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000574814284	530563449	/nfs/dbraw/zinc/56/34/49/530563449.db2.gz	BYGUGQDGNCLVJM-SECBINFHSA-N	-1	0	378.384	0.149	20	5		GCBDRM
Cn1cnc([N+](=O)[O-])c1N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000438889805	530571932	/nfs/dbraw/zinc/57/19/32/530571932.db2.gz	YHXSWGOVHYLZOT-UHFFFAOYSA-N	-1	0	386.356	0.283	20	5		GCBDRM
CNS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000439086287	530574280	/nfs/dbraw/zinc/57/42/80/530574280.db2.gz	AUTOEJWHDIEINS-UHFFFAOYSA-N	-1	0	392.242	0.729	20	5		GCBDRM
CCOC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414329039	530597587	/nfs/dbraw/zinc/59/75/87/530597587.db2.gz	ORSCVTYRTDKZLV-UHFFFAOYSA-N	-1	0	376.343	0.151	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Br)cc1	ZINC000485213974	530585706	/nfs/dbraw/zinc/58/57/06/530585706.db2.gz	VDQZWANMABVTMZ-SNVBAGLBSA-N	-1	0	384.146	0.891	20	5		GCBDRM
COCCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000545554252	530680767	/nfs/dbraw/zinc/68/07/67/530680767.db2.gz	OCMQKFVRJMUUCE-UHFFFAOYSA-N	-1	0	376.387	0.885	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NC1CCS(=O)CC1	ZINC000546266745	530693944	/nfs/dbraw/zinc/69/39/44/530693944.db2.gz	HTPDYHJUDJUNMK-UHFFFAOYSA-N	-1	0	376.412	0.791	20	5		GCBDRM
NC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000274911025	530696734	/nfs/dbraw/zinc/69/67/34/530696734.db2.gz	KPOGEZULKRNBRC-SSDOTTSWSA-N	-1	0	385.276	0.221	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000591563407	530718160	/nfs/dbraw/zinc/71/81/60/530718160.db2.gz	GAZKFEKBQGYSLY-NSHDSACASA-N	-1	0	391.789	0.370	20	5		GCBDRM
COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000485924145	530744945	/nfs/dbraw/zinc/74/49/45/530744945.db2.gz	JPNCLGRBTJDRCU-WCQYABFASA-N	-1	0	378.378	0.833	20	5		GCBDRM
COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000485924147	530745010	/nfs/dbraw/zinc/74/50/10/530745010.db2.gz	JPNCLGRBTJDRCU-YPMHNXCESA-N	-1	0	378.378	0.833	20	5		GCBDRM
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c(Br)c1	ZINC000269456936	530746201	/nfs/dbraw/zinc/74/62/01/530746201.db2.gz	FWQKCLGIQSQBCK-SSDOTTSWSA-N	-1	0	399.244	0.823	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])S(C)(=O)=O	ZINC000593312821	530799821	/nfs/dbraw/zinc/79/98/21/530799821.db2.gz	JNNNAVCRPPONFR-UHFFFAOYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])S(C)(=O)=O	ZINC000593312714	530800196	/nfs/dbraw/zinc/80/01/96/530800196.db2.gz	HEAMKCTXQWVJPX-UHFFFAOYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000400133302	530812285	/nfs/dbraw/zinc/81/22/85/530812285.db2.gz	RTZYTMOTRPTQJR-SECBINFHSA-N	-1	0	379.416	0.003	20	5		GCBDRM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc1	ZINC000462363978	530815678	/nfs/dbraw/zinc/81/56/78/530815678.db2.gz	FQJQTBNUWMZILV-UHFFFAOYSA-N	-1	0	386.411	0.840	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000274964525	530819858	/nfs/dbraw/zinc/81/98/58/530819858.db2.gz	VMHPASPJYKONIU-SNVBAGLBSA-N	-1	0	392.411	0.866	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O	ZINC000417444766	530850260	/nfs/dbraw/zinc/85/02/60/530850260.db2.gz	DQUCFRRLBPLFHN-KCJUWKMLSA-N	-1	0	391.427	0.645	20	5		GCBDRM
CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000522005396	530851074	/nfs/dbraw/zinc/85/10/74/530851074.db2.gz	XJPSGIQWOYHHCW-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000274982362	530867920	/nfs/dbraw/zinc/86/79/20/530867920.db2.gz	LRFITAVTRWEQAD-MRVPVSSYSA-N	-1	0	391.789	0.460	20	5		GCBDRM
O=C(NCc1n[nH]c(=O)[n-]1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000585759823	530844224	/nfs/dbraw/zinc/84/42/24/530844224.db2.gz	KNOJYPJHAFZLPI-UHFFFAOYSA-N	-1	0	385.134	0.436	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000275116305	530900234	/nfs/dbraw/zinc/90/02/34/530900234.db2.gz	NNJWPFDMHHWHRI-JTQLQIEISA-N	-1	0	392.411	0.166	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000275018099	530906368	/nfs/dbraw/zinc/90/63/68/530906368.db2.gz	CUIOLCNUZNWGHA-MRVPVSSYSA-N	-1	0	379.778	0.554	20	5		GCBDRM
O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000274921746	530906589	/nfs/dbraw/zinc/90/65/89/530906589.db2.gz	NCBWAHLCWZUTAA-QMMMGPOBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000275022314	530906613	/nfs/dbraw/zinc/90/66/13/530906613.db2.gz	SBBHCYSIOQAOFE-NSHDSACASA-N	-1	0	393.805	0.312	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000275135135	530906822	/nfs/dbraw/zinc/90/68/22/530906822.db2.gz	PQMWMJXPEUGJEU-JTQLQIEISA-N	-1	0	392.411	0.166	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000275212874	530906952	/nfs/dbraw/zinc/90/69/52/530906952.db2.gz	HWENSFQRHSBOHB-SECBINFHSA-N	-1	0	380.762	0.933	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000275083320	530907180	/nfs/dbraw/zinc/90/71/80/530907180.db2.gz	JATSPKWUGWCWPW-NSHDSACASA-N	-1	0	392.411	0.166	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000275189625	530907232	/nfs/dbraw/zinc/90/72/32/530907232.db2.gz	FJWRDOSBPJJGHY-VIFPVBQESA-N	-1	0	376.343	0.288	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000275083319	530907285	/nfs/dbraw/zinc/90/72/85/530907285.db2.gz	JATSPKWUGWCWPW-LLVKDONJSA-N	-1	0	392.411	0.166	20	5		GCBDRM
NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000275169877	530907328	/nfs/dbraw/zinc/90/73/28/530907328.db2.gz	VFPYAHDZJVYAIA-IONNQARKSA-N	-1	0	375.334	0.073	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275305467	530908031	/nfs/dbraw/zinc/90/80/31/530908031.db2.gz	QXKTXBNMUOUCAB-MRVPVSSYSA-N	-1	0	380.762	0.933	20	5		GCBDRM
COC(=O)C[C@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000275382347	530908632	/nfs/dbraw/zinc/90/86/32/530908632.db2.gz	ZRWRMFDVZLDCBJ-ZETCQYMHSA-N	-1	0	380.762	0.851	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000275352896	530908738	/nfs/dbraw/zinc/90/87/38/530908738.db2.gz	WMAJWOAIDZMKBA-SECBINFHSA-N	-1	0	376.343	0.288	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCS1(=O)=O	ZINC000424237146	530888751	/nfs/dbraw/zinc/88/87/51/530888751.db2.gz	HQDHNTRWNFJUCG-NSHDSACASA-N	-1	0	376.774	0.501	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000424374580	530889331	/nfs/dbraw/zinc/88/93/31/530889331.db2.gz	ZLAXTMAZXIKSBX-LBPRGKRZSA-N	-1	0	392.411	0.084	20	5		GCBDRM
O=C([O-])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1(=O)=O	ZINC000424418822	530889351	/nfs/dbraw/zinc/88/93/51/530889351.db2.gz	NPIHAPMCPSZAJQ-NSHDSACASA-N	-1	0	380.325	0.880	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](CC(=O)[O-])OC	ZINC000530435270	530895285	/nfs/dbraw/zinc/89/52/85/530895285.db2.gz	MOMOLGAOAUSXLR-VIFPVBQESA-N	-1	0	376.343	0.149	20	5		GCBDRM
CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000600637342	530931424	/nfs/dbraw/zinc/93/14/24/530931424.db2.gz	ZFNURCKPMVKNQX-UHFFFAOYSA-N	-1	0	389.415	0.379	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000325809521	530913893	/nfs/dbraw/zinc/91/38/93/530913893.db2.gz	HDDXHEPZRWAJIX-QMMMGPOBSA-N	-1	0	380.762	0.933	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000282323768	530923198	/nfs/dbraw/zinc/92/31/98/530923198.db2.gz	UWNFHEZFYXRGMB-UHFFFAOYSA-N	-1	0	381.313	0.392	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000299528391	530927835	/nfs/dbraw/zinc/92/78/35/530927835.db2.gz	QWRZMMQCFGPXER-UHFFFAOYSA-N	-1	0	375.392	0.352	20	5		GCBDRM
CCN(CCCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000604041248	530937383	/nfs/dbraw/zinc/93/73/83/530937383.db2.gz	KJTUOPXVIHQLIE-UHFFFAOYSA-N	-1	0	381.432	0.250	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000275004344	530939780	/nfs/dbraw/zinc/93/97/80/530939780.db2.gz	ORIYHVNYXGJJRP-MRVPVSSYSA-N	-1	0	391.789	0.460	20	5		GCBDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1	ZINC000487662610	530950155	/nfs/dbraw/zinc/95/01/55/530950155.db2.gz	RZJAEXNQLQRKNL-UHFFFAOYSA-N	-1	0	387.355	0.799	20	5		GCBDRM
C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000548225918	531088856	/nfs/dbraw/zinc/08/88/56/531088856.db2.gz	RAKIAVFJOQSOBM-CBAPKCEASA-N	-1	0	390.395	0.903	20	5		GCBDRM
Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000737297950	598974407	/nfs/dbraw/zinc/97/44/07/598974407.db2.gz	HCELYFMRZDZPLY-UHFFFAOYSA-N	-1	0	377.342	0.530	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)nc1	ZINC000738139743	599152367	/nfs/dbraw/zinc/15/23/67/599152367.db2.gz	ONJKGWCCIWEGHU-UHFFFAOYSA-N	-1	0	393.316	0.428	20	5		GCBDRM
O=C([O-])C1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000058828263	596936417	/nfs/dbraw/zinc/93/64/17/596936417.db2.gz	ZXUOZIUBCIOEFL-UHFFFAOYSA-N	-1	0	385.398	0.586	20	5		GCBDRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cn2)c([N+](=O)[O-])c1	ZINC000823645560	599234946	/nfs/dbraw/zinc/23/49/46/599234946.db2.gz	TXRMUZOIIHJQQK-UHFFFAOYSA-N	-1	0	392.313	0.879	20	5		GCBDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)[O-]	ZINC000422661429	597219404	/nfs/dbraw/zinc/21/94/04/597219404.db2.gz	JQUAUFKGVIFUKD-CYBMUJFWSA-N	-1	0	381.341	0.920	20	5		GCBDRM
O=C([O-])Cn1cc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)nn1	ZINC000821540244	597362187	/nfs/dbraw/zinc/36/21/87/597362187.db2.gz	ZPZGIBUMAGDNPL-UHFFFAOYSA-N	-1	0	391.340	0.465	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000610891719	597495198	/nfs/dbraw/zinc/49/51/98/597495198.db2.gz	NUWYAXXHTGLSBP-NXEZZACHSA-N	-1	0	385.398	0.972	20	5		GCBDRM
CC(=O)NCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)C(=O)[O-]	ZINC000819769881	597676541	/nfs/dbraw/zinc/67/65/41/597676541.db2.gz	CIMLNGFJQKXDCJ-NSHDSACASA-N	-1	0	378.385	0.395	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC000272610916	597689517	/nfs/dbraw/zinc/68/95/17/597689517.db2.gz	HKESSMMLIMTQRO-JTQLQIEISA-N	-1	0	390.356	0.227	20	5		GCBDRM
COc1cc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000274990077	597699459	/nfs/dbraw/zinc/69/94/59/597699459.db2.gz	DXSRYEWBZQACSL-SECBINFHSA-N	-1	0	389.386	0.203	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000274982826	597700046	/nfs/dbraw/zinc/70/00/46/597700046.db2.gz	DJCOVWJSSFOCAF-SECBINFHSA-N	-1	0	389.386	0.203	20	5		GCBDRM
CC(=O)NCCN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H](C)C(=O)[O-]	ZINC000819744310	597716262	/nfs/dbraw/zinc/71/62/62/597716262.db2.gz	FXWKJFXQMUDNEI-BMIGLBTASA-N	-1	0	392.368	0.526	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cn1	ZINC000737115942	598637875	/nfs/dbraw/zinc/63/78/75/598637875.db2.gz	SRKPLBNXVLVEHI-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cn2)c([N+](=O)[O-])c1	ZINC000737116022	598638083	/nfs/dbraw/zinc/63/80/83/598638083.db2.gz	QWTRTGXUWTYMIV-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
C[C@H]([C@H](C)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1	ZINC000736672002	599778668	/nfs/dbraw/zinc/77/86/68/599778668.db2.gz	OGSAEQJNYAVSHZ-NWDGAFQWSA-N	-1	0	380.401	0.930	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC(=O)NCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000738325741	599887080	/nfs/dbraw/zinc/88/70/80/599887080.db2.gz	AIIQKIGRALTHNW-CYBMUJFWSA-N	-1	0	393.352	0.252	20	5		GCBDRM
C[C@@H](CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1)C(=O)[O-]	ZINC000736562019	599923473	/nfs/dbraw/zinc/92/34/73/599923473.db2.gz	LCFJAWYULMOOJJ-VIFPVBQESA-N	-1	0	375.337	0.903	20	5		GCBDRM
C[C@H](CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-]	ZINC000262214002	599929828	/nfs/dbraw/zinc/92/98/28/599929828.db2.gz	YNUVWPPROICRMT-LLVKDONJSA-N	-1	0	399.425	0.975	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1	ZINC000591564143	600053149	/nfs/dbraw/zinc/05/31/49/600053149.db2.gz	FPOAXDDAEGAYMN-SNVBAGLBSA-N	-1	0	389.267	0.447	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000262570277	600059540	/nfs/dbraw/zinc/05/95/40/600059540.db2.gz	CIOJQGPNXGWANV-STQMWFEESA-N	-1	0	397.409	0.457	20	5		GCBDRM
COC(=O)c1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc([N+](=O)[O-])c1	ZINC000737653550	600171268	/nfs/dbraw/zinc/17/12/68/600171268.db2.gz	ZREUXPRXFZRGBJ-UHFFFAOYSA-N	-1	0	395.368	0.240	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc([N+](=O)[O-])c1	ZINC000739459084	600188240	/nfs/dbraw/zinc/18/82/40/600188240.db2.gz	MUQNFVTZPUGIQS-UHFFFAOYSA-N	-1	0	392.349	0.729	20	5		GCBDRM
C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1=O	ZINC000736737453	600188789	/nfs/dbraw/zinc/18/87/89/600188789.db2.gz	ISLQEUHFNUYGGL-INIZCTEOSA-N	-1	0	376.325	0.952	20	5		GCBDRM
Cc1c(C(=O)OCC(=O)NCCC(=O)[O-])nnn1-c1cccc([N+](=O)[O-])c1	ZINC000738287717	600193713	/nfs/dbraw/zinc/19/37/13/600193713.db2.gz	ZRCNOCPZXAKJEL-UHFFFAOYSA-N	-1	0	377.313	0.232	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000596003583	600197774	/nfs/dbraw/zinc/19/77/74/600197774.db2.gz	SOTVYTXAQHEVMD-SECBINFHSA-N	-1	0	377.313	0.712	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCC(C3OCCO3)CC2)c([N+](=O)[O-])c1	ZINC000739813545	600208750	/nfs/dbraw/zinc/20/87/50/600208750.db2.gz	WRSAUGZFRPIWQT-UHFFFAOYSA-N	-1	0	379.369	0.999	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1	ZINC000610892035	600250907	/nfs/dbraw/zinc/25/09/07/600250907.db2.gz	LOMWQVGCVOFEDC-VHSXEESVSA-N	-1	0	383.382	0.573	20	5		GCBDRM
O=C([O-])c1cccc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000740215463	600258882	/nfs/dbraw/zinc/25/88/82/600258882.db2.gz	UIFAOPKYSPEBCC-UHFFFAOYSA-N	-1	0	394.365	0.396	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NC[C@@H](O)C2CCOCC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655481	600259397	/nfs/dbraw/zinc/25/93/97/600259397.db2.gz	DEIPSIBYCNZDAB-MEBBXXQBSA-N	-1	0	381.385	0.997	20	5		GCBDRM
COc1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000737982647	600266036	/nfs/dbraw/zinc/26/60/36/600266036.db2.gz	LQMLRUCGWDDFDY-UHFFFAOYSA-N	-1	0	381.385	0.391	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655108	600282191	/nfs/dbraw/zinc/28/21/91/600282191.db2.gz	AXQZBIWMXJONEC-VIFPVBQESA-N	-1	0	378.341	0.359	20	5		GCBDRM
O=C([O-])C[C@@H]1C(=O)NCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000739633823	600317584	/nfs/dbraw/zinc/31/75/84/600317584.db2.gz	IJNDGQPKEQEIDU-GFCCVEGCSA-N	-1	0	378.341	0.168	20	5		GCBDRM
CN(CC(=O)N1CCCC[C@H]1C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262701469	600373730	/nfs/dbraw/zinc/37/37/30/600373730.db2.gz	ZBDOQMWMKFSRGF-ZDUSSCGKSA-N	-1	0	385.398	0.681	20	5		GCBDRM
COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000737767540	600382681	/nfs/dbraw/zinc/38/26/81/600382681.db2.gz	ATMNIAQHJFZFQP-SNVBAGLBSA-N	-1	0	383.332	0.646	20	5		GCBDRM
CC(=O)NC[C@@H]1CN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000736147238	600396976	/nfs/dbraw/zinc/39/69/76/600396976.db2.gz	GSGXNPACJLLYBT-ZWNOBZJWSA-N	-1	0	394.384	0.139	20	5		GCBDRM
O=C([O-])c1cc(OS(=O)(=O)C2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-]	ZINC000740086855	600464872	/nfs/dbraw/zinc/46/48/72/600464872.db2.gz	BQILZQCLEMFIFA-UHFFFAOYSA-N	-1	0	379.368	0.579	20	5		GCBDRM
C[C@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000594459515	600537033	/nfs/dbraw/zinc/53/70/33/600537033.db2.gz	BSBCYWHVKRYUKF-ZWNOBZJWSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CN(CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccnc1	ZINC000737394973	600542514	/nfs/dbraw/zinc/54/25/14/600542514.db2.gz	LAXBPGXXZRWFLA-UHFFFAOYSA-N	-1	0	394.365	0.947	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)COCC(=O)NCc2cccnc2)cc([N+](=O)[O-])c1	ZINC000739320936	600544725	/nfs/dbraw/zinc/54/47/25/600544725.db2.gz	BHYQUKLEOIODPE-UHFFFAOYSA-N	-1	0	388.336	0.960	20	5		GCBDRM
O=C([O-])[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(O)cc1	ZINC000739356328	600585065	/nfs/dbraw/zinc/58/50/65/600585065.db2.gz	HSBDHYVSGNGTDY-LBPRGKRZSA-N	-1	0	375.337	0.522	20	5		GCBDRM
C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])C1CC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000736212505	600617375	/nfs/dbraw/zinc/61/73/75/600617375.db2.gz	SYHRJONFSZZDCW-WNWIJWBNSA-N	-1	0	375.337	0.949	20	5		GCBDRM
O=C([O-])C[C@H]1CSCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262504131	600671502	/nfs/dbraw/zinc/67/15/02/600671502.db2.gz	IUQHQDSUKHXQOB-NSHDSACASA-N	-1	0	395.393	0.739	20	5		GCBDRM
CN(CC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1[N+](=O)[O-]	ZINC000830697007	600726229	/nfs/dbraw/zinc/72/62/29/600726229.db2.gz	GMEFYOSZFILAJX-UHFFFAOYSA-N	-1	0	379.369	0.897	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C[C@@](C)(O)C(=O)[O-])CC1	ZINC000738663922	600761652	/nfs/dbraw/zinc/76/16/52/600761652.db2.gz	DXXHGXKBONQWPH-OAHLLOKOSA-N	-1	0	387.414	0.045	20	5		GCBDRM
CCOC(=O)C1(O)CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000829832810	600803692	/nfs/dbraw/zinc/80/36/92/600803692.db2.gz	RTQSITZBWIWXEC-UHFFFAOYSA-N	-1	0	395.368	0.304	20	5		GCBDRM
CCOCCN1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000830012256	600812491	/nfs/dbraw/zinc/81/24/91/600812491.db2.gz	XSXCFLOEPSRPQO-CYBMUJFWSA-N	-1	0	394.428	0.956	20	5		GCBDRM
COCCN1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C	ZINC000831745411	600813533	/nfs/dbraw/zinc/81/35/33/600813533.db2.gz	PSQUVFGVFOVHCY-QWHCGFSZSA-N	-1	0	394.428	0.955	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NC[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704247	600817664	/nfs/dbraw/zinc/81/76/64/600817664.db2.gz	WDJYOKUWRQKWJJ-LKFCYVNXSA-N	-1	0	377.357	0.677	20	5		GCBDRM
Cn1nc2c(cc1=O)CN(c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000833060430	600827600	/nfs/dbraw/zinc/82/76/00/600827600.db2.gz	JQOQUYOWLCSTML-UHFFFAOYSA-N	-1	0	375.297	0.858	20	5		GCBDRM
Cn1cc(N2CCC[C@@H](NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2=O)cn1	ZINC000738411576	600870748	/nfs/dbraw/zinc/87/07/48/600870748.db2.gz	QTMRZRQPZQPNLH-CQSZACIVSA-N	-1	0	387.352	0.952	20	5		GCBDRM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000272445031	600909964	/nfs/dbraw/zinc/90/99/64/600909964.db2.gz	FJVZWEDBFVPVPL-VXGBXAGGSA-N	-1	0	399.425	0.880	20	5		GCBDRM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000833184090	600958146	/nfs/dbraw/zinc/95/81/46/600958146.db2.gz	NUPCILUNVLOVJV-NWDGAFQWSA-N	-1	0	399.425	0.880	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)Cn1cc(Br)c([N+](=O)[O-])n1	ZINC000833248711	600985805	/nfs/dbraw/zinc/98/58/05/600985805.db2.gz	YITZFDBCDZQXCP-UHFFFAOYSA-N	-1	0	392.210	0.230	20	5		GCBDRM
CC(C)OCCN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000827031053	600985987	/nfs/dbraw/zinc/98/59/87/600985987.db2.gz	RWOFUHHNFQPXIL-UHFFFAOYSA-N	-1	0	394.428	0.956	20	5		GCBDRM
Cn1cc(N2CCN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])CC2)cn1	ZINC000833044448	600987217	/nfs/dbraw/zinc/98/72/17/600987217.db2.gz	ATRGCCTZYFZTNY-UHFFFAOYSA-N	-1	0	388.384	0.469	20	5		GCBDRM
Cn1ccnc(N2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)c1=O	ZINC000833059832	601099196	/nfs/dbraw/zinc/09/91/96/601099196.db2.gz	ZSXYHIONGIXKRP-UHFFFAOYSA-N	-1	0	387.352	0.349	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc([N+](=O)[O-])c1	ZINC000738168737	601122908	/nfs/dbraw/zinc/12/29/08/601122908.db2.gz	VXLVCXIKKLYDLR-ZDUSSCGKSA-N	-1	0	379.350	0.949	20	5		GCBDRM
CC(C)(C(N)=O)N1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000826127402	601213948	/nfs/dbraw/zinc/21/39/48/601213948.db2.gz	SHPUAMOPMXIVBY-UHFFFAOYSA-N	-1	0	381.345	0.587	20	5		GCBDRM
CN1C(=O)NC2(CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)C1=O	ZINC000830908419	601243835	/nfs/dbraw/zinc/24/38/35/601243835.db2.gz	USVQETKDTHKAPD-UHFFFAOYSA-N	-1	0	376.325	0.449	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccn1	ZINC000485641514	601281037	/nfs/dbraw/zinc/28/10/37/601281037.db2.gz	GLUMQNKEYZKSHK-UHFFFAOYSA-N	-1	0	394.365	0.396	20	5		GCBDRM
C[C@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000827889351	601373221	/nfs/dbraw/zinc/37/32/21/601373221.db2.gz	BUCRSXGDNXLBNL-VHSXEESVSA-N	-1	0	386.382	0.706	20	5		GCBDRM
C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000827889352	601373246	/nfs/dbraw/zinc/37/32/46/601373246.db2.gz	BUCRSXGDNXLBNL-ZJUUUORDSA-N	-1	0	386.382	0.706	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CCO1	ZINC000833220464	601382133	/nfs/dbraw/zinc/38/21/33/601382133.db2.gz	VDNROTFFLFRUBK-CYBMUJFWSA-N	-1	0	379.369	0.747	20	5		GCBDRM
CCN1C(=O)[C@H]2CN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])CCN2C1=O	ZINC000829744625	601383550	/nfs/dbraw/zinc/38/35/50/601383550.db2.gz	LWJYAKJNMATFRR-LLVKDONJSA-N	-1	0	393.312	0.674	20	5		GCBDRM
O=C([O-])[C@]1(F)CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1	ZINC000829904618	601390562	/nfs/dbraw/zinc/39/05/62/601390562.db2.gz	GXUIGOHVAYONLK-ZDUSSCGKSA-N	-1	0	376.318	0.553	20	5		GCBDRM
Cc1nn(CN(CCN2CCOCC2)CC(=O)[O-])c2ncc([N+](=O)[O-])cc12	ZINC000833016814	601399934	/nfs/dbraw/zinc/39/99/34/601399934.db2.gz	IIOSXNDFFANYMF-UHFFFAOYSA-N	-1	0	378.389	0.324	20	5		GCBDRM
O=C([O-])C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000767076566	601527215	/nfs/dbraw/zinc/52/72/15/601527215.db2.gz	ZARQCELDASRASV-ZDUSSCGKSA-N	-1	0	385.398	0.633	20	5		GCBDRM
Cc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832890779	601544703	/nfs/dbraw/zinc/54/47/03/601544703.db2.gz	BOIPUMIPGPKNHI-UHFFFAOYSA-N	-1	0	392.412	0.582	20	5		GCBDRM
O=C([O-])[C@]1(F)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000833106529	601553123	/nfs/dbraw/zinc/55/31/23/601553123.db2.gz	PLYDDSSZXXIKGW-KRWDZBQOSA-N	-1	0	380.376	0.742	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000823659558	601560526	/nfs/dbraw/zinc/56/05/26/601560526.db2.gz	GGHKAFCSCREKCC-OAHLLOKOSA-N	-1	0	378.385	0.029	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000833192149	601609614	/nfs/dbraw/zinc/60/96/14/601609614.db2.gz	PFSLNCIXAWNXSS-RNCFNFMXSA-N	-1	0	381.316	0.399	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000833192153	601609658	/nfs/dbraw/zinc/60/96/58/601609658.db2.gz	PFSLNCIXAWNXSS-ZANVPECISA-N	-1	0	381.316	0.399	20	5		GCBDRM
O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1	ZINC000833216112	601668286	/nfs/dbraw/zinc/66/82/86/601668286.db2.gz	ZSPKXVBXLBYFKH-WDEREUQCSA-N	-1	0	397.409	0.963	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1	ZINC000833252220	601681316	/nfs/dbraw/zinc/68/13/16/601681316.db2.gz	IZYMIYKCVWHRRO-LSDHHAIUSA-N	-1	0	379.369	0.793	20	5		GCBDRM
C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000828334025	601715270	/nfs/dbraw/zinc/71/52/70/601715270.db2.gz	LDYIAQKCHYLBBQ-MFKMUULPSA-N	-1	0	385.398	0.394	20	5		GCBDRM
O=C([O-])C1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCS(=O)(=O)CC1	ZINC000833117703	601718865	/nfs/dbraw/zinc/71/88/65/601718865.db2.gz	SRXJDHGUKNMNSR-UHFFFAOYSA-N	-1	0	390.801	0.939	20	5		GCBDRM
O=C([O-])[C@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCOC1	ZINC000833128762	601737126	/nfs/dbraw/zinc/73/71/26/601737126.db2.gz	MNKNMCGWUGVYLB-ABKXIKBNSA-N	-1	0	381.316	0.447	20	5		GCBDRM
CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000573991103	601754183	/nfs/dbraw/zinc/75/41/83/601754183.db2.gz	VFWMMXAJKLLDCF-OLZOCXBDSA-N	-1	0	385.398	0.727	20	5		GCBDRM
CC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000573991098	601754191	/nfs/dbraw/zinc/75/41/91/601754191.db2.gz	VFWMMXAJKLLDCF-CHWSQXEVSA-N	-1	0	385.398	0.727	20	5		GCBDRM
CC(C)(CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)[O-]	ZINC000826550186	601763924	/nfs/dbraw/zinc/76/39/24/601763924.db2.gz	CEYKAENAKQFBEX-UHFFFAOYSA-N	-1	0	381.341	0.922	20	5		GCBDRM
COc1cc(CCNS(=O)(=O)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000831983494	601773157	/nfs/dbraw/zinc/77/31/57/601773157.db2.gz	UZXOTZRDLSVCHY-VIFPVBQESA-N	-1	0	376.387	0.795	20	5		GCBDRM
O=C([O-])C1(CNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000833132836	601780026	/nfs/dbraw/zinc/78/00/26/601780026.db2.gz	DNGFAVKEJQZYII-UONOGXRCSA-N	-1	0	381.385	0.933	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000832905094	601808532	/nfs/dbraw/zinc/80/85/32/601808532.db2.gz	BQAUNYVPCVKTKR-UHFFFAOYSA-N	-1	0	392.411	0.214	20	5		GCBDRM
COC[C@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)[O-]	ZINC000831596660	601818778	/nfs/dbraw/zinc/81/87/78/601818778.db2.gz	GLMYZYFDPDAXLX-FVMDXXJSSA-N	-1	0	383.332	0.693	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000825847386	602007440	/nfs/dbraw/zinc/00/74/40/602007440.db2.gz	QUVITZFFZJLDKY-QWRGUYRKSA-N	-1	0	378.385	0.855	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN3C(=O)OC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703010	602014059	/nfs/dbraw/zinc/01/40/59/602014059.db2.gz	GXHWLNKBNKPVRL-MWLCHTKSSA-N	-1	0	378.341	0.439	20	5		GCBDRM
COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CC2	ZINC000831831617	602060425	/nfs/dbraw/zinc/06/04/25/602060425.db2.gz	NFWPTGXJVJFSPS-NSHDSACASA-N	-1	0	375.341	0.776	20	5		GCBDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000827262229	602068577	/nfs/dbraw/zinc/06/85/77/602068577.db2.gz	GZRBHDGMJJKEGC-NSHDSACASA-N	-1	0	385.398	0.539	20	5		GCBDRM
COc1cccc(OC)c1OC[C@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000832567249	602299830	/nfs/dbraw/zinc/29/98/30/602299830.db2.gz	DDVGVLYXHROMIB-LLVKDONJSA-N	-1	0	394.336	0.912	20	5		GCBDRM
Cc1cc(N2CCN(C(=O)C(=O)NC3CC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832890795	602314049	/nfs/dbraw/zinc/31/40/49/602314049.db2.gz	BXSHBVZAWNAOOY-UHFFFAOYSA-N	-1	0	376.369	0.529	20	5		GCBDRM
CC(C)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824309619	607579741	/nfs/dbraw/zinc/57/97/41/607579741.db2.gz	RXYHKOYGTPTQCS-UHFFFAOYSA-N	-1	0	384.374	0.395	20	5		GCBDRM
CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826061016	607585146	/nfs/dbraw/zinc/58/51/46/607585146.db2.gz	YJNAIVSEZVAKCX-SNVBAGLBSA-N	-1	0	395.401	0.064	20	5		GCBDRM
CCOC(=O)CN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825512091	607597654	/nfs/dbraw/zinc/59/76/54/607597654.db2.gz	SSWMFNBABNNUAJ-UHFFFAOYSA-N	-1	0	396.385	0.491	20	5		GCBDRM
Cc1noc(C)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826339197	607597952	/nfs/dbraw/zinc/59/79/52/607597952.db2.gz	VMYRORCDURGGGN-UHFFFAOYSA-N	-1	0	379.358	0.858	20	5		GCBDRM
CC(C)N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1=O	ZINC000824295928	607615805	/nfs/dbraw/zinc/61/58/05/607615805.db2.gz	BTZRITDCCPJUMF-VIFPVBQESA-N	-1	0	395.401	0.063	20	5		GCBDRM
CC(C)(C)OC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824099896	607616223	/nfs/dbraw/zinc/61/62/23/607616223.db2.gz	LQTZTGORRXDFHB-UHFFFAOYSA-N	-1	0	384.374	0.395	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCCCC2)c1-c1nnn[n-]1	ZINC000826500052	607629117	/nfs/dbraw/zinc/62/91/17/607629117.db2.gz	JLYAYGJPONRARQ-UHFFFAOYSA-N	-1	0	382.402	0.748	20	5		GCBDRM
CC(C)(C)C[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824085521	607637497	/nfs/dbraw/zinc/63/74/97/607637497.db2.gz	FLNCXISFGLVNIW-VIFPVBQESA-N	-1	0	384.418	0.850	20	5		GCBDRM
CC[C@@H](C[C@@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825089311	607657251	/nfs/dbraw/zinc/65/72/51/607657251.db2.gz	CJIQKXZIDAARPN-ZJUUUORDSA-N	-1	0	384.418	0.850	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C1CCOCC1	ZINC000824640427	607673420	/nfs/dbraw/zinc/67/34/20/607673420.db2.gz	IMBNXNVSBMQYPU-VIFPVBQESA-N	-1	0	382.402	0.868	20	5		GCBDRM
COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000831072859	604405868	/nfs/dbraw/zinc/40/58/68/604405868.db2.gz	LUJPEKFHVRWIKP-MRVPVSSYSA-N	-1	0	380.762	0.851	20	5		GCBDRM
C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cn(CC(=O)[O-])nn1	ZINC000827843340	604694207	/nfs/dbraw/zinc/69/42/07/604694207.db2.gz	FUECVDRSYFDYBP-MRVPVSSYSA-N	-1	0	378.297	0.960	20	5		GCBDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000829956477	604732195	/nfs/dbraw/zinc/73/21/95/604732195.db2.gz	ZJJAIYIQNWBLEL-GFCCVEGCSA-N	-1	0	381.341	0.268	20	5		GCBDRM
O=C([O-])N1CC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000833130264	604754881	/nfs/dbraw/zinc/75/48/81/604754881.db2.gz	LJGUASZIIPVGMJ-ZDUSSCGKSA-N	-1	0	398.397	0.226	20	5		GCBDRM
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CN(C(=O)[O-])C1	ZINC000832758709	604775381	/nfs/dbraw/zinc/77/53/81/604775381.db2.gz	SVKLIFPGZPNUAC-ZDUSSCGKSA-N	-1	0	396.425	0.925	20	5		GCBDRM
C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C(=O)NCC(=O)[O-]	ZINC000833534579	605165591	/nfs/dbraw/zinc/16/55/91/605165591.db2.gz	FAWHQRQVIRUSQR-JTQLQIEISA-N	-1	0	381.341	0.178	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])[C@@H](C)N1CCOCC1	ZINC000833522788	605394043	/nfs/dbraw/zinc/39/40/43/605394043.db2.gz	FTKFQTLKUNNVIQ-GHMZBOCLSA-N	-1	0	387.414	0.681	20	5		GCBDRM
COCCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833724080	605395971	/nfs/dbraw/zinc/39/59/71/605395971.db2.gz	FZEKXMIGMXTCRA-LBPRGKRZSA-N	-1	0	387.414	0.682	20	5		GCBDRM
C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1=O	ZINC000833605730	605397925	/nfs/dbraw/zinc/39/79/25/605397925.db2.gz	ROFFHIMVFCXHJG-VDDIYKPWSA-N	-1	0	383.382	0.581	20	5		GCBDRM
C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1=O	ZINC000833605628	605398195	/nfs/dbraw/zinc/39/81/95/605398195.db2.gz	ROFFHIMVFCXHJG-LNLATYFQSA-N	-1	0	383.382	0.581	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1N1CCOCC1	ZINC000833631498	605399970	/nfs/dbraw/zinc/39/99/70/605399970.db2.gz	PJWDGKAVRMZQMI-FZMZJTMJSA-N	-1	0	399.425	0.634	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C(=O)[O-])C1	ZINC000833708897	605646893	/nfs/dbraw/zinc/64/68/93/605646893.db2.gz	KJWFDYUFYOMDMK-NOZJJQNGSA-N	-1	0	384.316	0.978	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C(=O)[O-])C1	ZINC000833705737	605650598	/nfs/dbraw/zinc/65/05/98/605650598.db2.gz	AITMZPIRCWBYIY-GWCFXTLKSA-N	-1	0	396.352	0.847	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C(=O)[O-])C1	ZINC000833705739	605650626	/nfs/dbraw/zinc/65/06/26/605650626.db2.gz	AITMZPIRCWBYIY-MFKMUULPSA-N	-1	0	396.352	0.847	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C(=O)[O-])C1	ZINC000833705740	605650629	/nfs/dbraw/zinc/65/06/29/605650629.db2.gz	AITMZPIRCWBYIY-ZWNOBZJWSA-N	-1	0	396.352	0.847	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000833709706	605666545	/nfs/dbraw/zinc/66/65/45/605666545.db2.gz	UQSVRDUKLLDASO-NWDGAFQWSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC000833706948	605694363	/nfs/dbraw/zinc/69/43/63/605694363.db2.gz	IWCJIPQKJLLFDH-YGRLFVJLSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000833706946	605694459	/nfs/dbraw/zinc/69/44/59/605694459.db2.gz	IWCJIPQKJLLFDH-IINYFYTJSA-N	-1	0	395.368	0.880	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000739275781	605708913	/nfs/dbraw/zinc/70/89/13/605708913.db2.gz	ZYOQGTBYZQWUBT-JTQLQIEISA-N	-1	0	378.341	0.579	20	5		GCBDRM
COCCN(CC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821689004	606732987	/nfs/dbraw/zinc/73/29/87/606732987.db2.gz	HMGRHOLASHGYHR-UHFFFAOYSA-N	-1	0	392.344	0.677	20	5		GCBDRM
CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCO1	ZINC000820607744	606734424	/nfs/dbraw/zinc/73/44/24/606734424.db2.gz	YUCZUDWIRQKZKH-UHFFFAOYSA-N	-1	0	382.402	0.965	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)c1-c1nnn[n-]1	ZINC000823646949	606737268	/nfs/dbraw/zinc/73/72/68/606737268.db2.gz	DQNBFOFPCMORNC-AWEZNQCLSA-N	-1	0	380.386	0.576	20	5		GCBDRM
C[C@H]1N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCOC1(C)C	ZINC000820819098	606873158	/nfs/dbraw/zinc/87/31/58/606873158.db2.gz	DYWFWNWSGDXFQN-SECBINFHSA-N	-1	0	382.402	0.963	20	5		GCBDRM
COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1	ZINC000821839766	607154568	/nfs/dbraw/zinc/15/45/68/607154568.db2.gz	YFUZPLDXYOKJFC-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
Cc1cnccc1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826319438	607852970	/nfs/dbraw/zinc/85/29/70/607852970.db2.gz	CPUZUCUDMDHDPC-UHFFFAOYSA-N	-1	0	389.397	0.999	20	5		GCBDRM
C[C@@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(F)(F)F	ZINC000824671466	608026418	/nfs/dbraw/zinc/02/64/18/608026418.db2.gz	ZLSMVIVESNKUAQ-SNVBAGLBSA-N	-1	0	396.307	0.367	20	5		GCBDRM
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn1	ZINC000826393514	608220358	/nfs/dbraw/zinc/22/03/58/608220358.db2.gz	VVHFWRVHAQWDFY-UHFFFAOYSA-N	-1	0	390.341	0.070	20	5		GCBDRM
CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825247093	608239576	/nfs/dbraw/zinc/23/95/76/608239576.db2.gz	ANFNPGISSRCETE-JTQLQIEISA-N	-1	0	395.401	0.064	20	5		GCBDRM
CO[C@H]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826146444	608425037	/nfs/dbraw/zinc/42/50/37/608425037.db2.gz	WCJBIUHRQNVLGL-ONGXEEELSA-N	-1	0	382.402	0.868	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cc([N+](=O)[O-])c1F	ZINC000826272626	608528545	/nfs/dbraw/zinc/52/85/45/608528545.db2.gz	TVSSZYJQHYDPMX-UHFFFAOYSA-N	-1	0	382.337	0.757	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@@H](C)CN1C	ZINC000824991429	608562939	/nfs/dbraw/zinc/56/29/39/608562939.db2.gz	AWVBFZFHKUENRW-ZJUUUORDSA-N	-1	0	381.418	0.488	20	5		GCBDRM
CN(C[C@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825908536	609333867	/nfs/dbraw/zinc/33/38/67/609333867.db2.gz	JCDDTHOVONQTAA-ZYHUDNBSSA-N	-1	0	396.429	0.947	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)[C@@H]1CCCOC1	ZINC000824640374	609579941	/nfs/dbraw/zinc/57/99/41/609579941.db2.gz	HJLCSMVNZGFJPK-VHSXEESVSA-N	-1	0	382.402	0.868	20	5		GCBDRM
C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)[O-]	ZINC000225272401	639611888	/nfs/dbraw/zinc/61/18/88/639611888.db2.gz	LLQQLWVBYUYVIK-LLVKDONJSA-N	-1	0	394.121	0.765	20	5		GCBDRM
NC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000915819145	639811256	/nfs/dbraw/zinc/81/12/56/639811256.db2.gz	QXIRLCKBRAOBTH-MRVPVSSYSA-N	-1	0	390.805	0.844	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-n2cnnn2)cc1	ZINC000732622395	639812851	/nfs/dbraw/zinc/81/28/51/639812851.db2.gz	HENPPOANUMLLLV-UHFFFAOYSA-N	-1	0	380.367	0.751	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc(-n2cnnn2)c1	ZINC000732623534	639812879	/nfs/dbraw/zinc/81/28/79/639812879.db2.gz	WIPVJPMFNHEBSK-UHFFFAOYSA-N	-1	0	380.367	0.751	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1sccc1-n1cnnn1	ZINC000916755081	639834303	/nfs/dbraw/zinc/83/43/03/639834303.db2.gz	UVCPSMDMDTZYDQ-UHFFFAOYSA-N	-1	0	380.367	0.751	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2	ZINC000917445625	639852051	/nfs/dbraw/zinc/85/20/51/639852051.db2.gz	JJMHQCNBHLVRQW-AWEZNQCLSA-N	-1	0	385.423	0.774	20	5		GCBDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000733713844	639983450	/nfs/dbraw/zinc/98/34/50/639983450.db2.gz	JOIWWORTHCWNLC-MRVPVSSYSA-N	-1	0	380.400	0.093	20	5		GCBDRM
Cn1cnc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1	ZINC000092265450	640063997	/nfs/dbraw/zinc/06/39/97/640063997.db2.gz	NHZTZOSUHCLIAL-UHFFFAOYSA-N	-1	0	376.192	0.964	20	5		GCBDRM
CCCS(=O)(=O)[N-]C(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000739203537	640183537	/nfs/dbraw/zinc/18/35/37/640183537.db2.gz	KOOWPVOYSYGMHK-VIFPVBQESA-N	-1	0	393.443	0.895	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000741118143	640220987	/nfs/dbraw/zinc/22/09/87/640220987.db2.gz	FUUJLAOWBFNSIS-UHFFFAOYSA-N	-1	0	375.344	0.656	20	5		GCBDRM
O=C([N-]S(=O)(=O)CC(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000744265786	640266812	/nfs/dbraw/zinc/26/68/12/640266812.db2.gz	NVOTYJHJLCPNQS-UHFFFAOYSA-N	-1	0	379.276	0.797	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1	ZINC000747106380	640303412	/nfs/dbraw/zinc/30/34/12/640303412.db2.gz	QTJSZXPPXOZJIQ-UHFFFAOYSA-N	-1	0	390.439	0.923	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1	ZINC000747117158	640304118	/nfs/dbraw/zinc/30/41/18/640304118.db2.gz	AWBDECFUOAHUDM-UHFFFAOYSA-N	-1	0	382.441	0.676	20	5		GCBDRM
CCC(=O)N[C@H](CCSC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750758254	640367259	/nfs/dbraw/zinc/36/72/59/640367259.db2.gz	XYPAXMXVLVIJSG-SNVBAGLBSA-N	-1	0	390.443	0.443	20	5		GCBDRM
O=C(CCS(=O)(=O)C1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750757684	640367475	/nfs/dbraw/zinc/36/74/75/640367475.db2.gz	RTCOOOQHUWQPSM-UHFFFAOYSA-N	-1	0	391.427	0.542	20	5		GCBDRM
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CC1=O	ZINC000754680517	640457981	/nfs/dbraw/zinc/45/79/81/640457981.db2.gz	HHDCBPLYUIQMDQ-SSDOTTSWSA-N	-1	0	390.805	0.504	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)C1CC1	ZINC000759167415	640544555	/nfs/dbraw/zinc/54/45/55/640544555.db2.gz	SNEAQOHGDORPRL-UHFFFAOYSA-N	-1	0	375.790	0.922	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2[N+](=O)[O-])s1	ZINC000759503199	640550053	/nfs/dbraw/zinc/55/00/53/640550053.db2.gz	CIRHYTDOJGABLB-UHFFFAOYSA-N	-1	0	385.383	0.832	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000761002210	640585360	/nfs/dbraw/zinc/58/53/60/640585360.db2.gz	DURWKNSSWRAWFD-MRVPVSSYSA-N	-1	0	375.790	0.888	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000761212743	640589656	/nfs/dbraw/zinc/58/96/56/640589656.db2.gz	PYTSQRYHDZQNMA-ZCFIWIBFSA-N	-1	0	376.778	0.162	20	5		GCBDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000764197177	640641789	/nfs/dbraw/zinc/64/17/89/640641789.db2.gz	ROSKNLASEFDTNF-SECBINFHSA-N	-1	0	375.359	0.917	20	5		GCBDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000764197179	640641792	/nfs/dbraw/zinc/64/17/92/640641792.db2.gz	ROSKNLASEFDTNF-VIFPVBQESA-N	-1	0	375.359	0.917	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1=O	ZINC000767835564	640736236	/nfs/dbraw/zinc/73/62/36/640736236.db2.gz	DSUCVXLDZUOCJT-UHFFFAOYSA-N	-1	0	393.175	0.445	20	5		GCBDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000768018884	640742459	/nfs/dbraw/zinc/74/24/59/640742459.db2.gz	UOEZBXOEIYMLMR-UHFFFAOYSA-N	-1	0	385.379	0.886	20	5		GCBDRM
CCCN(C)S(=O)(=O)[N-]C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000770618010	640810435	/nfs/dbraw/zinc/81/04/35/640810435.db2.gz	RCKBZXREEKWLLO-UHFFFAOYSA-N	-1	0	390.443	0.489	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776521171	641099246	/nfs/dbraw/zinc/09/92/46/641099246.db2.gz	LFJPPWIGUTVCFF-QMMMGPOBSA-N	-1	0	380.762	0.933	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000776601161	641106094	/nfs/dbraw/zinc/10/60/94/641106094.db2.gz	NQOMIOFKWWBZOQ-JTQLQIEISA-N	-1	0	376.391	0.359	20	5		GCBDRM
O=C([O-])CCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000776680685	641110390	/nfs/dbraw/zinc/11/03/90/641110390.db2.gz	GMNVREONNUMORH-UHFFFAOYSA-N	-1	0	397.203	0.815	20	5		GCBDRM
NC(=O)c1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[nH]n1	ZINC000778085547	641147307	/nfs/dbraw/zinc/14/73/07/641147307.db2.gz	ZVHMBOSSWQZMFD-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)n1	ZINC000780332928	641207618	/nfs/dbraw/zinc/20/76/18/641207618.db2.gz	BRJOMADTKSPDQT-UHFFFAOYSA-N	-1	0	384.761	0.748	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1	ZINC000781501248	641229084	/nfs/dbraw/zinc/22/90/84/641229084.db2.gz	SSMUHSHCTUDEIO-NSHDSACASA-N	-1	0	392.411	0.237	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cc([N+](=O)[O-])c1	ZINC000781501247	641229178	/nfs/dbraw/zinc/22/91/78/641229178.db2.gz	SSMUHSHCTUDEIO-LLVKDONJSA-N	-1	0	392.411	0.237	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000863417417	641235602	/nfs/dbraw/zinc/23/56/02/641235602.db2.gz	VPANYILPYXMZLX-JTQLQIEISA-N	-1	0	380.350	0.899	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000784893056	641296714	/nfs/dbraw/zinc/29/67/14/641296714.db2.gz	LAUYNTSAOMRDMY-UHFFFAOYSA-N	-1	0	397.406	0.210	20	5		GCBDRM
COC1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CCOCC1	ZINC000793162431	641465028	/nfs/dbraw/zinc/46/50/28/641465028.db2.gz	YRQGCYXHYGKLFL-UHFFFAOYSA-N	-1	0	393.805	0.831	20	5		GCBDRM
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CC3)c1	ZINC000795893739	641528776	/nfs/dbraw/zinc/52/87/76/641528776.db2.gz	YCBFESKJSCIIEP-SNVBAGLBSA-N	-1	0	378.813	0.665	20	5		GCBDRM
Cc1nnc(COCC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)s1	ZINC000797017060	641554893	/nfs/dbraw/zinc/55/48/93/641554893.db2.gz	NHRCPZFJXSSOPV-UHFFFAOYSA-N	-1	0	378.413	0.838	20	5		GCBDRM
Cc1nnc(COCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1	ZINC000797151713	641557574	/nfs/dbraw/zinc/55/75/74/641557574.db2.gz	RLLKRQJGBNOBQZ-UHFFFAOYSA-N	-1	0	390.374	0.916	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1COCCN1CC(F)F	ZINC000798830492	641595833	/nfs/dbraw/zinc/59/58/33/641595833.db2.gz	RUFATEFKDJOOGZ-QMMMGPOBSA-N	-1	0	385.370	0.427	20	5		GCBDRM
NC(=O)c1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])on1	ZINC000815026113	641816708	/nfs/dbraw/zinc/81/67/08/641816708.db2.gz	NSRDDCHUXULQHC-UHFFFAOYSA-N	-1	0	378.725	0.953	20	5		GCBDRM
Cn1cnnc1COCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000815923613	641836902	/nfs/dbraw/zinc/83/69/02/641836902.db2.gz	AQQBWHZNNBAYTJ-UHFFFAOYSA-N	-1	0	389.777	0.398	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)Cn2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1	ZINC000816293524	641849789	/nfs/dbraw/zinc/84/97/89/641849789.db2.gz	KBXGRTLZRUTKBQ-UHFFFAOYSA-N	-1	0	382.280	0.049	20	5		GCBDRM
O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000819095386	641928454	/nfs/dbraw/zinc/92/84/54/641928454.db2.gz	VNDFCPGYECMBJE-NSHDSACASA-N	-1	0	384.288	0.824	20	5		GCBDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000802080244	642142751	/nfs/dbraw/zinc/14/27/51/642142751.db2.gz	RIPYZVCZZQHKBK-UHFFFAOYSA-N	-1	0	380.400	0.094	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1[N+](=O)[O-]	ZINC000802101186	642143272	/nfs/dbraw/zinc/14/32/72/642143272.db2.gz	ITVIIRWYRGKRFX-UHFFFAOYSA-N	-1	0	389.367	0.246	20	5		GCBDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000802108741	642143333	/nfs/dbraw/zinc/14/33/33/642143333.db2.gz	VGYYQLNHCCQWQC-UHFFFAOYSA-N	-1	0	379.416	0.315	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000802129501	642144026	/nfs/dbraw/zinc/14/40/26/642144026.db2.gz	XOPJTMVXTAONNB-JTQLQIEISA-N	-1	0	392.411	0.237	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O	ZINC000841510118	642303383	/nfs/dbraw/zinc/30/33/83/642303383.db2.gz	CPKUAFCIXVFJCN-UHFFFAOYSA-N	-1	0	382.276	0.701	20	5		GCBDRM
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)c1	ZINC000841548770	642310752	/nfs/dbraw/zinc/31/07/52/642310752.db2.gz	QUVQJXSZHXJOIE-MRVPVSSYSA-N	-1	0	379.757	0.318	20	5		GCBDRM
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])S1(=O)=O	ZINC000842700371	642344526	/nfs/dbraw/zinc/34/45/26/642344526.db2.gz	SMXYZYTWRZIHRA-VIFPVBQESA-N	-1	0	397.818	0.087	20	5		GCBDRM
CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000842716055	642345921	/nfs/dbraw/zinc/34/59/21/642345921.db2.gz	OTTCQAFYCCGJKU-UHFFFAOYSA-N	-1	0	380.400	0.820	20	5		GCBDRM
CC(C)(C)OC(=O)CSCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847892577	642524440	/nfs/dbraw/zinc/52/44/40/642524440.db2.gz	DGLOKLUUIGELGU-UHFFFAOYSA-N	-1	0	391.427	0.870	20	5		GCBDRM
COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000848681154	642550324	/nfs/dbraw/zinc/55/03/24/642550324.db2.gz	UNZNUTRMFNKTEO-SECBINFHSA-N	-1	0	379.322	0.864	20	5		GCBDRM
O=C(C[C@@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000850885722	642700531	/nfs/dbraw/zinc/70/05/31/642700531.db2.gz	JWERYOKKBWHTRT-VIFPVBQESA-N	-1	0	394.402	0.754	20	5		GCBDRM
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](COC)OC	ZINC000851084274	642707160	/nfs/dbraw/zinc/70/71/60/642707160.db2.gz	QVLDFXHQLBDOCY-GFCCVEGCSA-N	-1	0	375.403	0.883	20	5		GCBDRM
CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000854590888	642835387	/nfs/dbraw/zinc/83/53/87/642835387.db2.gz	FLOXQODJVFFTFP-UHFFFAOYSA-N	-1	0	377.400	0.184	20	5		GCBDRM
CCOC(=O)N[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC(C)C	ZINC000858900734	642970298	/nfs/dbraw/zinc/97/02/98/642970298.db2.gz	WGXKJZYOFLYWDE-SNVBAGLBSA-N	-1	0	377.423	0.767	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)O1	ZINC000860445065	643032745	/nfs/dbraw/zinc/03/27/45/643032745.db2.gz	SGMOKJMQPUETRS-MNOVXSKESA-N	-1	0	392.773	0.774	20	5		GCBDRM
CN(Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001211694355	1192314577	/nfs/dbraw/zinc/31/45/77/1192314577.db2.gz	LQWGGHZNTGZHMR-UHFFFAOYSA-N	-1	0	375.213	0.228	20	5		GCBDRM
Cn1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000500584516	1192657574	/nfs/dbraw/zinc/65/75/74/1192657574.db2.gz	AFFLLRIBJDOABS-UHFFFAOYSA-N	-1	0	391.369	0.769	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc([N+](=O)[O-])c1F	ZINC000274964150	1184443463	/nfs/dbraw/zinc/44/34/63/1184443463.db2.gz	BQSNWKGKDZBNJW-KWQFWETISA-N	-1	0	389.361	0.382	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c1C	ZINC000274998061	1184452883	/nfs/dbraw/zinc/45/28/83/1184452883.db2.gz	AGLLORYDMKLIDG-CYBMUJFWSA-N	-1	0	382.398	0.919	20	5		GCBDRM
O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NS(=O)(=O)N1CCOCC1	ZINC000275040155	1184469898	/nfs/dbraw/zinc/46/98/98/1184469898.db2.gz	RAJFWRIQBJEJQK-AWEZNQCLSA-N	-1	0	398.397	0.238	20	5		GCBDRM
O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NS(=O)(=O)N1CCOCC1	ZINC000275040158	1184470047	/nfs/dbraw/zinc/47/00/47/1184470047.db2.gz	RAJFWRIQBJEJQK-CQSZACIVSA-N	-1	0	398.397	0.238	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O	ZINC000275086399	1184502629	/nfs/dbraw/zinc/50/26/29/1184502629.db2.gz	JMHIIONSNAXKOZ-CMPLNLGQSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O	ZINC000275086400	1184502944	/nfs/dbraw/zinc/50/29/44/1184502944.db2.gz	JMHIIONSNAXKOZ-JQWIXIFHSA-N	-1	0	385.398	0.551	20	5		GCBDRM
NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000275102620	1184508384	/nfs/dbraw/zinc/50/83/84/1184508384.db2.gz	LVDPSSMKQRQCSV-AAEUAGOBSA-N	-1	0	385.398	0.118	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1	ZINC000275166509	1184539100	/nfs/dbraw/zinc/53/91/00/1184539100.db2.gz	USKARYWPMPGZQF-STQMWFEESA-N	-1	0	397.409	0.432	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000275211737	1184553326	/nfs/dbraw/zinc/55/33/26/1184553326.db2.gz	ZTKRVXTYZMAIGJ-YPMHNXCESA-N	-1	0	397.409	0.599	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(=O)[O-]	ZINC000275359728	1184630593	/nfs/dbraw/zinc/63/05/93/1184630593.db2.gz	XHZHFJPYDVHLAL-JTQLQIEISA-N	-1	0	397.365	0.828	20	5		GCBDRM
COCc1noc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)n1	ZINC000275546652	1184706175	/nfs/dbraw/zinc/70/61/75/1184706175.db2.gz	LOQZQYWHBSLPNU-UHFFFAOYSA-N	-1	0	377.357	0.788	20	5		GCBDRM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1	ZINC000610269763	1184719331	/nfs/dbraw/zinc/71/93/31/1184719331.db2.gz	IPEJQMJYHVDHLB-CABZTGNLSA-N	-1	0	397.388	0.940	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000547891421	1184735616	/nfs/dbraw/zinc/73/56/16/1184735616.db2.gz	LTDSOAOIGMMXBQ-NSHDSACASA-N	-1	0	398.397	0.559	20	5		GCBDRM
C[C@@](CO)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)CC(=O)[O-]	ZINC000275596233	1184783824	/nfs/dbraw/zinc/78/38/24/1184783824.db2.gz	IUCRNAQZVNRZLL-HNNXBMFYSA-N	-1	0	383.382	0.895	20	5		GCBDRM
NC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000547941422	1184787490	/nfs/dbraw/zinc/78/74/90/1184787490.db2.gz	OOBMUJMSYURZCH-ZDUSSCGKSA-N	-1	0	393.377	0.668	20	5		GCBDRM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000580833231	1185389543	/nfs/dbraw/zinc/38/95/43/1185389543.db2.gz	CHORJFPPHCPHPU-NEPJUHHUSA-N	-1	0	385.398	0.346	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)c([N+](=O)[O-])c1	ZINC000581373234	1185624032	/nfs/dbraw/zinc/62/40/32/1185624032.db2.gz	NYTKKQGDGBMQHH-GHMZBOCLSA-N	-1	0	383.382	0.725	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@@H](Cn2cc(C)cn2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548205780	1185883064	/nfs/dbraw/zinc/88/30/64/1185883064.db2.gz	KSGMGAQSWXXAJJ-NSHDSACASA-N	-1	0	384.370	0.540	20	5		GCBDRM
Cn1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1C(N)=O	ZINC000430662382	1185912576	/nfs/dbraw/zinc/91/25/76/1185912576.db2.gz	HYPNXJYAIVUODZ-UHFFFAOYSA-N	-1	0	376.354	0.776	20	5		GCBDRM
COC(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276772353	1186038056	/nfs/dbraw/zinc/03/80/56/1186038056.db2.gz	BXPDAYSWUCTXMY-LLVKDONJSA-N	-1	0	389.342	0.247	20	5		GCBDRM
Cc1cc(=O)n2[n-]c(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])nc2n1	ZINC000561781877	1186183147	/nfs/dbraw/zinc/18/31/47/1186183147.db2.gz	INGYSJVSTILZNT-UHFFFAOYSA-N	-1	0	378.370	0.619	20	5		GCBDRM
CCOC(=O)[C@H]1CCCN1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000548564492	1186319699	/nfs/dbraw/zinc/31/96/99/1186319699.db2.gz	UALWVIWFSIGPIO-GFCCVEGCSA-N	-1	0	387.370	0.977	20	5		GCBDRM
CCC[C@H](O)[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000548591026	1186331375	/nfs/dbraw/zinc/33/13/75/1186331375.db2.gz	ATLOEDUCGAVWTB-ZANVPECISA-N	-1	0	390.370	0.259	20	5		GCBDRM
O=C([O-])c1cnc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1	ZINC000263502617	1186403807	/nfs/dbraw/zinc/40/38/07/1186403807.db2.gz	LEDWQJDUXTXMGR-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
CO[C@@H](C)c1nc(=NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s[n-]1	ZINC000511133020	1186542832	/nfs/dbraw/zinc/54/28/32/1186542832.db2.gz	VRXVVXRPBJNISM-ZETCQYMHSA-N	-1	0	391.365	0.810	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1=O	ZINC000478999768	1186548243	/nfs/dbraw/zinc/54/82/43/1186548243.db2.gz	YTROQEQQFDRVMN-ABAIWWIYSA-N	-1	0	379.369	0.800	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000582847868	1186711169	/nfs/dbraw/zinc/71/11/69/1186711169.db2.gz	ARXLDKGTANUMLB-ABAIWWIYSA-N	-1	0	386.382	0.909	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000582952936	1186735661	/nfs/dbraw/zinc/73/56/61/1186735661.db2.gz	FSUYIASUTYECFC-PELKAZGASA-N	-1	0	388.354	0.244	20	5		GCBDRM
O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000278173610	1186812916	/nfs/dbraw/zinc/81/29/16/1186812916.db2.gz	DLOCIDAOCPMFCM-UHFFFAOYSA-N	-1	0	399.303	0.483	20	5		GCBDRM
CCCN1C[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC000583937818	1186965094	/nfs/dbraw/zinc/96/50/94/1186965094.db2.gz	BRDAIFSFEGMKHN-SNVBAGLBSA-N	-1	0	385.398	0.830	20	5		GCBDRM
C[C@@H]1OCC[C@@]12CN(S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CCO2	ZINC000581314664	1187711535	/nfs/dbraw/zinc/71/15/35/1187711535.db2.gz	ZOZMZNPONPJCLQ-ZUZCIYMTSA-N	-1	0	386.382	0.862	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1	ZINC000414314288	1187825797	/nfs/dbraw/zinc/82/57/97/1187825797.db2.gz	CYNWLPPDKLJFJS-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
CCOC(=O)CN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414315518	1187826598	/nfs/dbraw/zinc/82/65/98/1187826598.db2.gz	GDJLXGNPKDEDNG-UHFFFAOYSA-N	-1	0	390.370	0.493	20	5		GCBDRM
COCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414324452	1187831611	/nfs/dbraw/zinc/83/16/11/1187831611.db2.gz	VXJQBUWSGIZDDT-UHFFFAOYSA-N	-1	0	389.386	0.018	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1	ZINC000414334695	1187836090	/nfs/dbraw/zinc/83/60/90/1187836090.db2.gz	GGPMATHACQULID-GHMZBOCLSA-N	-1	0	383.382	0.725	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)c1	ZINC000414341854	1187842204	/nfs/dbraw/zinc/84/22/04/1187842204.db2.gz	LXPTXKSPWYKHEU-WDEREUQCSA-N	-1	0	383.382	0.725	20	5		GCBDRM
C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000549445874	1189543180	/nfs/dbraw/zinc/54/31/80/1189543180.db2.gz	FYAXCPPYLWEPOD-AWEZNQCLSA-N	-1	0	378.429	0.665	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1	ZINC000417449869	1189664030	/nfs/dbraw/zinc/66/40/30/1189664030.db2.gz	YQYZIRGGAMKDRJ-RISCZKNCSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1	ZINC000417449870	1189664088	/nfs/dbraw/zinc/66/40/88/1189664088.db2.gz	YQYZIRGGAMKDRJ-SMDDNHRTSA-N	-1	0	399.425	0.892	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000417444155	1189665311	/nfs/dbraw/zinc/66/53/11/1189665311.db2.gz	BYVHUOGYLKUNMH-CHWSQXEVSA-N	-1	0	385.398	0.583	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1	ZINC000729184524	1193907581	/nfs/dbraw/zinc/90/75/81/1193907581.db2.gz	UQVYTEPYXZFGQE-NSHDSACASA-N	-1	0	385.398	0.667	20	5		GCBDRM
C[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1	ZINC000262142013	1193940350	/nfs/dbraw/zinc/94/03/50/1193940350.db2.gz	KBMBMQKMOJSHEA-KCJUWKMLSA-N	-1	0	383.382	0.486	20	5		GCBDRM
O=C([O-])CCCCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000420581321	1194242920	/nfs/dbraw/zinc/24/29/20/1194242920.db2.gz	VBPHVQMYRMSYLF-UHFFFAOYSA-N	-1	0	393.400	0.400	20	5		GCBDRM
O=C([O-])CCNC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000420595587	1194248807	/nfs/dbraw/zinc/24/88/07/1194248807.db2.gz	FSAKUOLLCFSPQE-UHFFFAOYSA-N	-1	0	392.290	0.733	20	5		GCBDRM
O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000422659737	1194680229	/nfs/dbraw/zinc/68/02/29/1194680229.db2.gz	ITDSOECQEYOWFS-SNVBAGLBSA-N	-1	0	379.325	0.770	20	5		GCBDRM
O=C([O-])C1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000422707313	1194690596	/nfs/dbraw/zinc/69/05/96/1194690596.db2.gz	HHLBVTITAXIQAG-UHFFFAOYSA-N	-1	0	390.396	0.567	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000422719641	1194693998	/nfs/dbraw/zinc/69/39/98/1194693998.db2.gz	MATOUHWQXNGTJM-NXEZZACHSA-N	-1	0	389.368	0.657	20	5		GCBDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000422918954	1194710725	/nfs/dbraw/zinc/71/07/25/1194710725.db2.gz	JDMIZHBVYPSSJL-RYUDHWBXSA-N	-1	0	391.380	0.754	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000435717273	1194959826	/nfs/dbraw/zinc/95/98/26/1194959826.db2.gz	LFRBTESMFYZKDH-WDEREUQCSA-N	-1	0	385.398	0.633	20	5		GCBDRM
CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000515854370	1195002787	/nfs/dbraw/zinc/00/27/87/1195002787.db2.gz	WMKDHIAPELSKFY-UHFFFAOYSA-N	-1	0	386.386	0.329	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21	ZINC000505828823	1195011061	/nfs/dbraw/zinc/01/10/61/1195011061.db2.gz	YGDFHKIUYZGNSJ-UONOGXRCSA-N	-1	0	399.425	0.695	20	5		GCBDRM
COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1S(N)(=O)=O	ZINC000436772911	1195034314	/nfs/dbraw/zinc/03/43/14/1195034314.db2.gz	HEBOKOXJUQWHDP-UHFFFAOYSA-N	-1	0	381.366	0.886	20	5		GCBDRM
CN1CCN(C(=O)Cn2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cn2)CC1	ZINC000436776165	1195035006	/nfs/dbraw/zinc/03/50/06/1195035006.db2.gz	ZTAWWMUQCSXRFI-UHFFFAOYSA-N	-1	0	388.384	0.523	20	5		GCBDRM
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000436778316	1195035771	/nfs/dbraw/zinc/03/57/71/1195035771.db2.gz	QPJPNLGAHGIMKK-CYBMUJFWSA-N	-1	0	394.428	0.599	20	5		GCBDRM
CN1CCN(C(=O)Cn2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cn2)CC1	ZINC000436959082	1195051102	/nfs/dbraw/zinc/05/11/02/1195051102.db2.gz	FGUKJVNXLOHHDM-UHFFFAOYSA-N	-1	0	388.384	0.523	20	5		GCBDRM
O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436956901	1195051284	/nfs/dbraw/zinc/05/12/84/1195051284.db2.gz	USCQMDRFALGJPL-UHFFFAOYSA-N	-1	0	398.375	0.802	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)[C@H]1CCOC1	ZINC000516698612	1195085424	/nfs/dbraw/zinc/08/54/24/1195085424.db2.gz	RLFNVXJSDIWBCI-TVQRCGJNSA-N	-1	0	381.366	0.911	20	5		GCBDRM
CN(CC(N)=O)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000518051707	1195241811	/nfs/dbraw/zinc/24/18/11/1195241811.db2.gz	OVCNXZYMCQOJNH-UHFFFAOYSA-N	-1	0	392.393	0.953	20	5		GCBDRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cn1C	ZINC000438725515	1195243190	/nfs/dbraw/zinc/24/31/90/1195243190.db2.gz	SKDFJVGGTBHHAK-UHFFFAOYSA-N	-1	0	396.381	0.880	20	5		GCBDRM
CS(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC2	ZINC000506649934	1195341635	/nfs/dbraw/zinc/34/16/35/1195341635.db2.gz	VQSKCIVRPWWPFF-UHFFFAOYSA-N	-1	0	399.410	0.722	20	5		GCBDRM
COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000519602007	1195514447	/nfs/dbraw/zinc/51/44/47/1195514447.db2.gz	IJTGERCEUQHXFT-LLVKDONJSA-N	-1	0	388.398	0.967	20	5		GCBDRM
COc1cc(CN(CC(=O)[O-])C(=O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1	ZINC000262091514	1195736377	/nfs/dbraw/zinc/73/63/77/1195736377.db2.gz	GNWDAXNLALIPIY-UHFFFAOYSA-N	-1	0	378.341	0.922	20	5		GCBDRM
NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000508066954	1195896628	/nfs/dbraw/zinc/89/66/28/1195896628.db2.gz	GSKLHIXKYHEGMW-UHFFFAOYSA-N	-1	0	378.366	0.611	20	5		GCBDRM
O=C([O-])c1ccnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1[N+](=O)[O-]	ZINC000521880763	1196022300	/nfs/dbraw/zinc/02/23/00/1196022300.db2.gz	CYPTUDFJUBGRHS-UHFFFAOYSA-N	-1	0	397.369	0.328	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc([N+](=O)[O-])c1C	ZINC000548247185	1196076991	/nfs/dbraw/zinc/07/69/91/1196076991.db2.gz	BXUKQAGHSBVYAH-GXFFZTMASA-N	-1	0	385.398	0.551	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000262225423	1196088748	/nfs/dbraw/zinc/08/87/48/1196088748.db2.gz	RNWAOMVMAYKGCG-LLVKDONJSA-N	-1	0	379.369	0.999	20	5		GCBDRM
CNC(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000025601794	1196147529	/nfs/dbraw/zinc/14/75/29/1196147529.db2.gz	WQOQSDRKTLKHBB-UHFFFAOYSA-N	-1	0	392.393	0.871	20	5		GCBDRM
Cn1cc(C(=O)NCc2cn(CC(=O)[O-])nn2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000439695888	1196346741	/nfs/dbraw/zinc/34/67/41/1196346741.db2.gz	FUVMRBKEPSPRLZ-UHFFFAOYSA-N	-1	0	385.340	0.601	20	5		GCBDRM
O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1	ZINC000444238960	1196367214	/nfs/dbraw/zinc/36/72/14/1196367214.db2.gz	BNOBENXWELROHM-UHFFFAOYSA-N	-1	0	399.367	0.961	20	5		GCBDRM
CC(C)CN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262435079	1196383774	/nfs/dbraw/zinc/38/37/74/1196383774.db2.gz	SUWIRNIEKGSSGA-UHFFFAOYSA-N	-1	0	387.414	0.832	20	5		GCBDRM
COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1	ZINC000525008331	1196642641	/nfs/dbraw/zinc/64/26/41/1196642641.db2.gz	BFLANJZLJZVEKA-UHFFFAOYSA-N	-1	0	397.413	0.663	20	5		GCBDRM
COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cn1	ZINC000525017708	1196643366	/nfs/dbraw/zinc/64/33/66/1196643366.db2.gz	HHDWTQALVQPQNH-UHFFFAOYSA-N	-1	0	397.413	0.663	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc([N+](=O)[O-])c1	ZINC000450542446	1196932034	/nfs/dbraw/zinc/93/20/34/1196932034.db2.gz	UGTDEAMGAKMOPX-AWEZNQCLSA-N	-1	0	397.409	0.933	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc([N+](=O)[O-])c1	ZINC000450542447	1196932290	/nfs/dbraw/zinc/93/22/90/1196932290.db2.gz	UGTDEAMGAKMOPX-CQSZACIVSA-N	-1	0	397.409	0.933	20	5		GCBDRM
Cc1c([C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C(=O)[O-])cnn1C	ZINC000530541578	1196994324	/nfs/dbraw/zinc/99/43/24/1196994324.db2.gz	PMMSKUILVHXOPJ-AWEZNQCLSA-N	-1	0	382.398	0.925	20	5		GCBDRM
CCNC(=O)COc1cccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1	ZINC000530728884	1197011049	/nfs/dbraw/zinc/01/10/49/1197011049.db2.gz	DATKTIYHMNRHPX-UHFFFAOYSA-N	-1	0	394.409	0.983	20	5		GCBDRM
CC1(Cn2cc(C(=O)[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])nn2)COC1	ZINC000760181806	1197201635	/nfs/dbraw/zinc/20/16/35/1197201635.db2.gz	OUBLAKJCEKINRQ-UHFFFAOYSA-N	-1	0	381.370	0.342	20	5		GCBDRM
O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1	ZINC000618900531	1197225025	/nfs/dbraw/zinc/22/50/25/1197225025.db2.gz	GNJYZQDVZZLNLZ-BMIGLBTASA-N	-1	0	395.393	0.989	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000170307526	1197252629	/nfs/dbraw/zinc/25/26/29/1197252629.db2.gz	WKBSNXIXHPJVKO-ZYHUDNBSSA-N	-1	0	383.382	0.291	20	5		GCBDRM
O=C([O-])C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000532692943	1197386831	/nfs/dbraw/zinc/38/68/31/1197386831.db2.gz	YGPQLNMHQABXLI-LBPRGKRZSA-N	-1	0	399.425	0.977	20	5		GCBDRM
O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2nnn[n-]2)C1	ZINC000532793618	1197412467	/nfs/dbraw/zinc/41/24/67/1197412467.db2.gz	JGMBAFNJKFGUEC-VIFPVBQESA-N	-1	0	393.791	0.897	20	5		GCBDRM
CCn1cc(S(=O)(=O)NC[C@H](C(=O)OC)C2CCOCC2)c([N+](=O)[O-])n1	ZINC000532853522	1197415499	/nfs/dbraw/zinc/41/54/99/1197415499.db2.gz	FOIYTTZUXMAWFS-NSHDSACASA-N	-1	0	390.418	0.305	20	5		GCBDRM
COCCCS(=O)(=O)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000273379232	1198960672	/nfs/dbraw/zinc/96/06/72/1198960672.db2.gz	ZJRWZHXLMDZHNM-UHFFFAOYSA-N	-1	0	387.414	0.425	20	5		GCBDRM
CN1CCN(C(=O)C2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)CC1	ZINC000273427117	1198992125	/nfs/dbraw/zinc/99/21/25/1198992125.db2.gz	WNEHSCRNLKUHDG-UHFFFAOYSA-N	-1	0	376.413	0.927	20	5		GCBDRM
O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000273442563	1199000644	/nfs/dbraw/zinc/00/06/44/1199000644.db2.gz	NMJSZTCKBBTXHA-GFCCVEGCSA-N	-1	0	387.414	0.519	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nnc2n1CCC2	ZINC000273696080	1199062026	/nfs/dbraw/zinc/06/20/26/1199062026.db2.gz	CEYDKTUZFZKJGX-MRVPVSSYSA-N	-1	0	381.370	0.870	20	5		GCBDRM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000595248175	1200667716	/nfs/dbraw/zinc/66/77/16/1200667716.db2.gz	GLFDEQKHUSUXIW-JTQLQIEISA-N	-1	0	389.368	1.368	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1	ZINC000567113759	1200749558	/nfs/dbraw/zinc/74/95/58/1200749558.db2.gz	PPIVINPZNWIHFQ-CMPLNLGQSA-N	-1	0	386.430	1.516	20	5		GCBDRM
O=C([O-])c1ccnc(NCCCN2CCN(c3ncccn3)CC2)c1[N+](=O)[O-]	ZINC000582244358	1200916678	/nfs/dbraw/zinc/91/66/78/1200916678.db2.gz	XWBFHBOAOGLGAC-UHFFFAOYSA-N	-1	0	387.400	1.102	20	5		GCBDRM
CCn1cc(S(=O)(=O)NCCN2CCc3ccccc3C2=O)c([N+](=O)[O-])n1	ZINC000466737172	1201067834	/nfs/dbraw/zinc/06/78/34/1201067834.db2.gz	DLYFEYSHQNMNBN-UHFFFAOYSA-N	-1	0	393.425	0.788	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000727188178	1201351308	/nfs/dbraw/zinc/35/13/08/1201351308.db2.gz	HINRUJMILGCVRG-UHFFFAOYSA-N	-1	0	379.354	0.747	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000730658378	1201459328	/nfs/dbraw/zinc/45/93/28/1201459328.db2.gz	WQBRLVAWLNXDTK-UHFFFAOYSA-N	-1	0	398.335	0.112	20	5		GCBDRM
CN(C(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc([N+](=O)[O-])cc1	ZINC000730658891	1201460730	/nfs/dbraw/zinc/46/07/30/1201460730.db2.gz	XHNCKGQOWDFMDB-UHFFFAOYSA-N	-1	0	386.324	0.186	20	5		GCBDRM
CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1	ZINC000732618953	1201550423	/nfs/dbraw/zinc/55/04/23/1201550423.db2.gz	MFDYJEFAQVPUGV-NSCUHMNNSA-N	-1	0	396.406	0.929	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000734090013	1201642225	/nfs/dbraw/zinc/64/22/25/1201642225.db2.gz	UUCYWIBLXCLNMD-UHFFFAOYSA-N	-1	0	397.369	0.188	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000734091003	1201642757	/nfs/dbraw/zinc/64/27/57/1201642757.db2.gz	JMGSOVGORIEJOK-UHFFFAOYSA-N	-1	0	384.370	0.344	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CCC2=O)ccc1[N+](=O)[O-]	ZINC000734735621	1201662472	/nfs/dbraw/zinc/66/24/72/1201662472.db2.gz	IQRHOBCKQPJSEB-UHFFFAOYSA-N	-1	0	383.382	0.637	20	5		GCBDRM
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cn2C)c1	ZINC000734973256	1201667055	/nfs/dbraw/zinc/66/70/55/1201667055.db2.gz	IQACMJNPTHKEMY-UHFFFAOYSA-N	-1	0	380.382	0.754	20	5		GCBDRM
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)c1	ZINC000734973323	1201667387	/nfs/dbraw/zinc/66/73/87/1201667387.db2.gz	LWPFGTOMNYCSLQ-UHFFFAOYSA-N	-1	0	380.382	0.754	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000741110823	1201757689	/nfs/dbraw/zinc/75/76/89/1201757689.db2.gz	SAHFOXZEUPSQKM-UHFFFAOYSA-N	-1	0	393.381	0.571	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2cccn3c(=O)[nH]nc23)c([N+](=O)[O-])c1	ZINC000766275305	1201784539	/nfs/dbraw/zinc/78/45/39/1201784539.db2.gz	PUJVOMDNDKLXHS-UHFFFAOYSA-N	-1	0	393.337	0.470	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC2(CC1)NC(=O)NC2=O	ZINC000744001593	1201830993	/nfs/dbraw/zinc/83/09/93/1201830993.db2.gz	AXLQJTZFEDMKRJ-UHFFFAOYSA-N	-1	0	396.381	0.168	20	5		GCBDRM
CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000744242257	1201838864	/nfs/dbraw/zinc/83/88/64/1201838864.db2.gz	ANIRRHPHHLBKSJ-CQSZACIVSA-N	-1	0	398.441	0.821	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000768214176	1202007192	/nfs/dbraw/zinc/00/71/92/1202007192.db2.gz	SVAWKBJJFVJKFF-UHFFFAOYSA-N	-1	0	398.397	0.503	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000768218300	1202007680	/nfs/dbraw/zinc/00/76/80/1202007680.db2.gz	HQLJWXSTWDEDJX-UHFFFAOYSA-N	-1	0	386.386	0.054	20	5		GCBDRM
O=C([N-]OC1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000772707580	1205404803	/nfs/dbraw/zinc/40/48/03/1205404803.db2.gz	PPZLAMFNNIQWIG-HNNXBMFYSA-N	-1	0	399.425	0.975	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O	ZINC000789475319	1205440236	/nfs/dbraw/zinc/44/02/36/1205440236.db2.gz	KXPLWXSCBAIMLI-UHFFFAOYSA-N	-1	0	383.382	0.637	20	5		GCBDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1	ZINC000790621812	1205468181	/nfs/dbraw/zinc/46/81/81/1205468181.db2.gz	GMXYAUDULHABHQ-LLVKDONJSA-N	-1	0	391.358	0.493	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000790625147	1205468328	/nfs/dbraw/zinc/46/83/28/1205468328.db2.gz	XSAJCJSWXRQDGL-UHFFFAOYSA-N	-1	0	392.361	0.997	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000809030139	1205616592	/nfs/dbraw/zinc/61/65/92/1205616592.db2.gz	GURFCJKVERURDB-UHFFFAOYSA-N	-1	0	378.370	0.492	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000809032530	1205616809	/nfs/dbraw/zinc/61/68/09/1205616809.db2.gz	BTRHLMLPHBIFOG-UHFFFAOYSA-N	-1	0	382.354	0.527	20	5		GCBDRM
COCCO[N-]C(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1	ZINC000810478956	1205639147	/nfs/dbraw/zinc/63/91/47/1205639147.db2.gz	HCIULPQBSZGZLM-UHFFFAOYSA-N	-1	0	390.418	0.388	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)c([N+](=O)[O-])c1	ZINC000810519272	1205639576	/nfs/dbraw/zinc/63/95/76/1205639576.db2.gz	LLOGSXHYWJJDTJ-SECBINFHSA-N	-1	0	395.397	0.342	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)ccc1[N+](=O)[O-]	ZINC000810588921	1205640345	/nfs/dbraw/zinc/64/03/45/1205640345.db2.gz	ZCMPCBAGRWAIFC-SNVBAGLBSA-N	-1	0	379.398	0.642	20	5		GCBDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000811135626	1205647114	/nfs/dbraw/zinc/64/71/14/1205647114.db2.gz	CVXYMONPOAUEGY-UHFFFAOYSA-N	-1	0	398.397	0.590	20	5		GCBDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000811138790	1205647231	/nfs/dbraw/zinc/64/72/31/1205647231.db2.gz	XKYNRIGRYVVKTC-UHFFFAOYSA-N	-1	0	390.418	0.443	20	5		GCBDRM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccnn1C	ZINC000828133369	1205663804	/nfs/dbraw/zinc/66/38/04/1205663804.db2.gz	YMHNHFMYAVPCFQ-CYBMUJFWSA-N	-1	0	384.370	0.530	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1	ZINC000813950293	1205683541	/nfs/dbraw/zinc/68/35/41/1205683541.db2.gz	LZKTUWMDTALFHL-UHFFFAOYSA-N	-1	0	395.397	0.215	20	5		GCBDRM
CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2c(C)cnn2C)cc([N+](=O)[O-])c1	ZINC000813987218	1205684964	/nfs/dbraw/zinc/68/49/64/1205684964.db2.gz	PUSXCFGSKSSTSC-UHFFFAOYSA-N	-1	0	396.381	0.932	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)c([N+](=O)[O-])c1	ZINC000774035142	1205860523	/nfs/dbraw/zinc/86/05/23/1205860523.db2.gz	OVBQMBDMCOBFBP-UHFFFAOYSA-N	-1	0	381.366	0.579	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1(C(=O)[O-])CCSCC1	ZINC000262100085	939059682	/nfs/dbraw/zinc/05/96/82/939059682.db2.gz	GSPNJZCBLVPNAM-UHFFFAOYSA-N	-1	0	395.393	0.787	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCCOC1	ZINC000450517681	939207767	/nfs/dbraw/zinc/20/77/67/939207767.db2.gz	GSVFXEDIJDWPLF-QFYYESIMSA-N	-1	0	380.353	0.905	20	5		GCBDRM
O=C([O-])C1(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)CC1	ZINC000566834536	939357722	/nfs/dbraw/zinc/35/77/22/939357722.db2.gz	MLYPWHYNPWHPDQ-UHFFFAOYSA-N	-1	0	385.398	0.469	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000592423623	939800907	/nfs/dbraw/zinc/80/09/07/939800907.db2.gz	AIOGRWFZLKNFOE-CYBMUJFWSA-N	-1	0	375.341	0.771	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000592425036	939801084	/nfs/dbraw/zinc/80/10/84/939801084.db2.gz	RCHMDCKTIRPUSK-ZDUSSCGKSA-N	-1	0	375.341	0.826	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000592423624	939801107	/nfs/dbraw/zinc/80/11/07/939801107.db2.gz	AIOGRWFZLKNFOE-ZDUSSCGKSA-N	-1	0	375.341	0.771	20	5		GCBDRM
Cn1nccc1[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000592469573	939801643	/nfs/dbraw/zinc/80/16/43/939801643.db2.gz	VDMOOJZEXGDLEM-AWEZNQCLSA-N	-1	0	375.341	0.390	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)cc([N+](=O)[O-])c1	ZINC000597160365	939803101	/nfs/dbraw/zinc/80/31/01/939803101.db2.gz	BATDJLVNIKYBPT-ZDUSSCGKSA-N	-1	0	386.382	0.608	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CCOCC1	ZINC000597162948	939803523	/nfs/dbraw/zinc/80/35/23/939803523.db2.gz	YMEQHFLINXKZPZ-MRXNPFEDSA-N	-1	0	393.352	0.316	20	5		GCBDRM
CC(C)(C)n1nnc(CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1	ZINC000600883105	939807142	/nfs/dbraw/zinc/80/71/42/939807142.db2.gz	WRAVLFLHKNYJJI-MRXNPFEDSA-N	-1	0	376.373	0.995	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N3CC(C(=O)[O-])C3)cc2[N+](=O)[O-])CC1	ZINC001602745119	971446266	/nfs/dbraw/zinc/44/62/66/971446266.db2.gz	KKSHJHWFPYNKTQ-UHFFFAOYSA-N	-1	0	376.369	0.420	20	5		GCBDRM
CC(=O)NCCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-]	ZINC001602758590	971477916	/nfs/dbraw/zinc/47/79/16/971477916.db2.gz	LVXAKHAJDBCOHT-NSHDSACASA-N	-1	0	387.414	0.280	20	5		GCBDRM
CC(=O)NCCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)[O-]	ZINC001602758589	971478052	/nfs/dbraw/zinc/47/80/52/971478052.db2.gz	LVXAKHAJDBCOHT-LLVKDONJSA-N	-1	0	387.414	0.280	20	5		GCBDRM
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001589561152	948809760	/nfs/dbraw/zinc/80/97/60/948809760.db2.gz	JAOFAWZBISXHLP-OCCSQVGLSA-N	-1	0	384.410	0.874	20	5		GCBDRM
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001589561150	948810361	/nfs/dbraw/zinc/81/03/61/948810361.db2.gz	JAOFAWZBISXHLP-GXTWGEPZSA-N	-1	0	384.410	0.874	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ncc1Br)C2	ZINC001595279143	949959650	/nfs/dbraw/zinc/95/96/50/949959650.db2.gz	OJYIZPQZBRZZFK-CPFSXVBKSA-N	-1	0	386.158	0.926	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C	ZINC000263074765	950247012	/nfs/dbraw/zinc/24/70/12/950247012.db2.gz	CLADNJSIEYCPCH-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC000263099870	950264569	/nfs/dbraw/zinc/26/45/69/950264569.db2.gz	UALTWKQBCRFINP-KRWDZBQOSA-N	-1	0	379.369	0.583	20	5		GCBDRM
O=C([O-])CN1CCC[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O	ZINC001595086415	951732977	/nfs/dbraw/zinc/73/29/77/951732977.db2.gz	JSGGTDRKCFJEFF-LBPRGKRZSA-N	-1	0	379.373	0.278	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2	ZINC001595192062	952286879	/nfs/dbraw/zinc/28/68/79/952286879.db2.gz	CSQPUDSFLNESJU-SDBXPKJASA-N	-1	0	376.774	0.970	20	5		GCBDRM
C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000427704860	953495481	/nfs/dbraw/zinc/49/54/81/953495481.db2.gz	FOQSDVKNVZREDA-MFKMUULPSA-N	-1	0	385.398	0.727	20	5		GCBDRM
O=C([O-])c1cnc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1	ZINC000439894134	953504401	/nfs/dbraw/zinc/50/44/01/953504401.db2.gz	NJCFQGTZVSYWNR-UHFFFAOYSA-N	-1	0	385.336	0.681	20	5		GCBDRM
O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC1	ZINC000515486958	953541063	/nfs/dbraw/zinc/54/10/63/953541063.db2.gz	RMPWGEBONNRLLM-UHFFFAOYSA-N	-1	0	397.409	0.683	20	5		GCBDRM
CCc1[nH]nc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-]	ZINC001593625705	953548962	/nfs/dbraw/zinc/54/89/62/953548962.db2.gz	PWBSGWIGRQXHIQ-VIFPVBQESA-N	-1	0	379.373	0.418	20	5		GCBDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001589298255	953666823	/nfs/dbraw/zinc/66/68/23/953666823.db2.gz	KQXOBXUNUFKGMY-ZJUUUORDSA-N	-1	0	375.337	0.903	20	5		GCBDRM
O=C([O-])C1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC001594941204	954894308	/nfs/dbraw/zinc/89/43/08/954894308.db2.gz	BIARXNWLTZBKSC-CYBMUJFWSA-N	-1	0	383.382	0.291	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC001594960596	955012148	/nfs/dbraw/zinc/01/21/48/955012148.db2.gz	ZYSNOSNPIYZTBT-ZDUSSCGKSA-N	-1	0	381.366	0.329	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)n1	ZINC001594548772	955702228	/nfs/dbraw/zinc/70/22/28/955702228.db2.gz	SKKZQTLZHFIHFP-RISCZKNCSA-N	-1	0	387.352	0.485	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001589184480	956552749	/nfs/dbraw/zinc/55/27/49/956552749.db2.gz	XKQWUDLVEVBSLH-OAHLLOKOSA-N	-1	0	385.398	0.729	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)C2	ZINC001594667022	956585238	/nfs/dbraw/zinc/58/52/38/956585238.db2.gz	ALLAZAWBTDPSMU-IXBGWNDUSA-N	-1	0	375.337	0.647	20	5		GCBDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1	ZINC001593998863	956913582	/nfs/dbraw/zinc/91/35/82/956913582.db2.gz	CIOYVAOACJSPOZ-UHFFFAOYSA-N	-1	0	379.325	0.421	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001594329974	958210014	/nfs/dbraw/zinc/21/00/14/958210014.db2.gz	UQHJXUZKOACOSR-LBPRGKRZSA-N	-1	0	399.425	0.956	20	5		GCBDRM
CS(=O)(=O)c1ccc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c([N+](=O)[O-])c1	ZINC001594174124	959023508	/nfs/dbraw/zinc/02/35/08/959023508.db2.gz	RHMZAUZPBVAHIP-GFCCVEGCSA-N	-1	0	385.398	0.876	20	5		GCBDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC001594221145	959374988	/nfs/dbraw/zinc/37/49/88/959374988.db2.gz	NPCHEJOSOSNUAW-BMIGLBTASA-N	-1	0	385.398	0.442	20	5		GCBDRM
O=C([O-])[C@]1(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCOC1	ZINC001261835040	960764512	/nfs/dbraw/zinc/76/45/12/960764512.db2.gz	GKIDNJHKENJJDA-KRWDZBQOSA-N	-1	0	375.385	0.832	20	5		GCBDRM
O=C([O-])CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1	ZINC001321453312	961001754	/nfs/dbraw/zinc/00/17/54/961001754.db2.gz	BASZEVKRZBCLFN-UHFFFAOYSA-N	-1	0	394.409	0.924	20	5		GCBDRM
COc1cc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ccc1[N+](=O)[O-]	ZINC001331883189	961402144	/nfs/dbraw/zinc/40/21/44/961402144.db2.gz	NGJDDGWIVFUZEG-KRWDZBQOSA-N	-1	0	379.369	0.605	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC000262067668	961426729	/nfs/dbraw/zinc/42/67/29/961426729.db2.gz	BNJPVZPGALVHJB-AWEZNQCLSA-N	-1	0	398.441	0.584	20	5		GCBDRM
O=C([O-])C[C@H]1COCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000262175124	961524607	/nfs/dbraw/zinc/52/46/07/961524607.db2.gz	CXKMDSURJPNYAK-VIFPVBQESA-N	-1	0	385.760	0.680	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CCN(C(=O)CCCC(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC001332519883	961589202	/nfs/dbraw/zinc/58/92/02/961589202.db2.gz	NXGLDPPJOAUTAI-UHFFFAOYSA-N	-1	0	399.425	0.902	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC001573956359	961672449	/nfs/dbraw/zinc/67/24/49/961672449.db2.gz	DKNXFWNWUNYNCG-ZDUSSCGKSA-N	-1	0	399.425	0.901	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	ZINC001574134924	962560931	/nfs/dbraw/zinc/56/09/31/962560931.db2.gz	ZOQGCFZKZFPZLI-OAHLLOKOSA-N	-1	0	386.382	0.562	20	5		GCBDRM
COc1ccc(CC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC001574206749	962915470	/nfs/dbraw/zinc/91/54/70/962915470.db2.gz	ZSOABWUVGWATHX-GFCCVEGCSA-N	-1	0	379.369	0.728	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C(=O)C(=O)[O-])CC1	ZINC000578364819	968467454	/nfs/dbraw/zinc/46/74/54/968467454.db2.gz	JQVBJYGJIAWMSP-SNVBAGLBSA-N	-1	0	380.357	0.159	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1	ZINC000591744482	968486501	/nfs/dbraw/zinc/48/65/01/968486501.db2.gz	CGQGCTFZHJFANK-AWEZNQCLSA-N	-1	0	392.361	0.854	20	5		GCBDRM
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1	ZINC000849218854	969272038	/nfs/dbraw/zinc/27/20/38/969272038.db2.gz	KLVGMQPTPSRFAE-SECBINFHSA-N	-1	0	385.354	0.647	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605224391	972975363	/nfs/dbraw/zinc/97/53/63/972975363.db2.gz	FWSZKRCXYNVCNH-ZDUSSCGKSA-N	-1	0	399.425	0.956	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O	ZINC001606048157	973154867	/nfs/dbraw/zinc/15/48/67/973154867.db2.gz	RAIIRHBDOGOQNX-NSHDSACASA-N	-1	0	385.279	0.345	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1	ZINC001604556522	973586686	/nfs/dbraw/zinc/58/66/86/973586686.db2.gz	AOXOUNPKJHVOQG-INIZCTEOSA-N	-1	0	385.348	0.865	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCO1	ZINC001604556912	973590747	/nfs/dbraw/zinc/59/07/47/973590747.db2.gz	IUTXIXBAKABFMN-MRXNPFEDSA-N	-1	0	385.348	0.742	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1=O	ZINC001606257684	973605356	/nfs/dbraw/zinc/60/53/56/973605356.db2.gz	OLNIENRQEBBIPD-LBPRGKRZSA-N	-1	0	383.332	0.695	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2	ZINC001606433053	973878631	/nfs/dbraw/zinc/87/86/31/973878631.db2.gz	ASUHMIAXAVEZRV-SDBXPKJASA-N	-1	0	376.774	0.970	20	5		GCBDRM
O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000510098715	974283404	/nfs/dbraw/zinc/28/34/04/974283404.db2.gz	IJOBFJOSDANAMF-UHFFFAOYSA-N	-1	0	383.382	0.293	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](n2ccnn2)C1	ZINC000563070915	974512398	/nfs/dbraw/zinc/51/23/98/974512398.db2.gz	NXNINWZVVQEYHJ-LLVKDONJSA-N	-1	0	381.370	0.910	20	5		GCBDRM
CO[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1	ZINC000563451649	974533216	/nfs/dbraw/zinc/53/32/16/974533216.db2.gz	ZVHKJIVLQDKFLT-SMDDNHRTSA-N	-1	0	375.341	0.880	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-]	ZINC000566735139	974619807	/nfs/dbraw/zinc/61/98/07/974619807.db2.gz	ATPQSHCVBLGHAU-ZUZCIYMTSA-N	-1	0	386.382	0.909	20	5		GCBDRM
CC(C)(C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)n1cc([N+](=O)[O-])cn1	ZINC000578536700	974857186	/nfs/dbraw/zinc/85/71/86/974857186.db2.gz	LLKHPSJYBUFOOM-SNVBAGLBSA-N	-1	0	377.361	0.680	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1	ZINC000579129340	974869619	/nfs/dbraw/zinc/86/96/19/974869619.db2.gz	UMQDXCPQQQPIRB-UHFFFAOYSA-N	-1	0	396.381	0.933	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)[O-])C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000581375178	974909699	/nfs/dbraw/zinc/90/96/99/974909699.db2.gz	RSXCDFOMLOCMQN-HNNXBMFYSA-N	-1	0	399.425	0.773	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000590600649	974969190	/nfs/dbraw/zinc/96/91/90/974969190.db2.gz	LAOMYXYAEBCGMD-GFCCVEGCSA-N	-1	0	381.366	0.973	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000591652493	974971642	/nfs/dbraw/zinc/97/16/42/974971642.db2.gz	IACURFRHTKLMGF-OAHLLOKOSA-N	-1	0	386.382	0.704	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@]2(CCOC2)O1	ZINC000592141503	974972861	/nfs/dbraw/zinc/97/28/61/974972861.db2.gz	AGBSDOOIHFIAJU-BONVTDFDSA-N	-1	0	386.382	0.862	20	5		GCBDRM
CO[C@H]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C(=O)[O-])C1	ZINC000595246525	974993761	/nfs/dbraw/zinc/99/37/61/974993761.db2.gz	JUYBASKFOJPKAQ-JSGCOSHPSA-N	-1	0	379.369	0.724	20	5		GCBDRM
O=C([O-])c1cnn(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000600866749	975007039	/nfs/dbraw/zinc/00/70/39/975007039.db2.gz	OJSLYAWUVWNSGZ-UHFFFAOYSA-N	-1	0	387.352	0.474	20	5		GCBDRM
CC(C)c1[nH]nc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1[N+](=O)[O-]	ZINC001591921497	976395208	/nfs/dbraw/zinc/39/52/08/976395208.db2.gz	YOIPCFCMHPOHQT-MRXNPFEDSA-N	-1	0	381.389	0.443	20	5		GCBDRM
CC(C)CN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737622022	978424509	/nfs/dbraw/zinc/42/45/09/978424509.db2.gz	MLHIMAFCTGYYSJ-UHFFFAOYSA-N	-1	0	387.414	0.785	20	5		GCBDRM
C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000737707688	978434876	/nfs/dbraw/zinc/43/48/76/978434876.db2.gz	SRQPWWPCBYCBIU-JTQLQIEISA-N	-1	0	381.341	0.011	20	5		GCBDRM
O=C([O-])c1ccnc(NCCS(=O)(=O)N2CCSCC2)c1[N+](=O)[O-]	ZINC000738693035	978590029	/nfs/dbraw/zinc/59/00/29/978590029.db2.gz	NJCRWJRXNRPFEO-UHFFFAOYSA-N	-1	0	376.416	0.479	20	5		GCBDRM
C[C@](NC(=O)C1CC2(C1)CS(=O)(=O)C2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593002648	980216593	/nfs/dbraw/zinc/21/65/93/980216593.db2.gz	JOWQTRRBEGHDEI-OAHLLOKOSA-N	-1	0	382.394	0.836	20	5		GCBDRM
CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC001596200110	983583708	/nfs/dbraw/zinc/58/37/08/983583708.db2.gz	HVVRLPHGGZDBIG-UHFFFAOYSA-N	-1	0	380.357	0.477	20	5		GCBDRM
CCN1C[C@@H](S(=O)(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1=O	ZINC001596402358	983955525	/nfs/dbraw/zinc/95/55/25/983955525.db2.gz	LWFDXIQNMBCNFU-WFASDCNBSA-N	-1	0	385.398	0.435	20	5		GCBDRM
CCNC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001596468819	984191898	/nfs/dbraw/zinc/19/18/98/984191898.db2.gz	WHUMALYXCVMAQJ-NSHDSACASA-N	-1	0	393.400	0.649	20	5		GCBDRM
CCOC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC001596655498	984694758	/nfs/dbraw/zinc/69/47/58/984694758.db2.gz	UTRAUVSKYOAWLX-UHFFFAOYSA-N	-1	0	387.370	0.756	20	5		GCBDRM
CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC001589024615	985037984	/nfs/dbraw/zinc/03/79/84/985037984.db2.gz	SWIZDXDOGZTPAU-AWEZNQCLSA-N	-1	0	387.348	0.771	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@@H]3C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001589085560	985258062	/nfs/dbraw/zinc/25/80/62/985258062.db2.gz	WWNHQCYDANFGQD-CQSZACIVSA-N	-1	0	376.369	0.562	20	5		GCBDRM
CC(=O)N[C@H]1CCCN(C(=O)CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1	ZINC001589120480	985387907	/nfs/dbraw/zinc/38/79/07/985387907.db2.gz	ZZJZGYAKQCCDIL-KBXCAEBGSA-N	-1	0	392.412	0.611	20	5		GCBDRM
C[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC001594562842	986338973	/nfs/dbraw/zinc/33/89/73/986338973.db2.gz	SHFVEMCIBFPXJN-SNVBAGLBSA-N	-1	0	385.398	0.280	20	5		GCBDRM
C[C@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC001594562840	986339192	/nfs/dbraw/zinc/33/91/92/986339192.db2.gz	SHFVEMCIBFPXJN-JTQLQIEISA-N	-1	0	385.398	0.280	20	5		GCBDRM
C[C@H](C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001589369372	986414355	/nfs/dbraw/zinc/41/43/55/986414355.db2.gz	PYZWQYKWRYAPLU-XDTLVQLUSA-N	-1	0	390.352	0.304	20	5		GCBDRM
CCS(=O)(=O)C1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001597204464	987115453	/nfs/dbraw/zinc/11/54/53/987115453.db2.gz	WVVGDPQPWYICQE-UHFFFAOYSA-N	-1	0	399.425	0.813	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC001599877365	989437135	/nfs/dbraw/zinc/43/71/35/989437135.db2.gz	NQHZDYFNZNWCAE-GHMZBOCLSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CC(C)(CN1CCOCC1)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001590702578	990427624	/nfs/dbraw/zinc/42/76/24/990427624.db2.gz	GRSFRAUIQGZQLW-UHFFFAOYSA-N	-1	0	387.414	0.682	20	5		GCBDRM
CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001598118934	990531872	/nfs/dbraw/zinc/53/18/72/990531872.db2.gz	LUEHBPDOGBTAQM-JTQLQIEISA-N	-1	0	389.411	0.445	20	5		GCBDRM
CN(C)C(=O)CN1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001598130447	990569726	/nfs/dbraw/zinc/56/97/26/990569726.db2.gz	ZRAAVRRCIJPZDH-UHFFFAOYSA-N	-1	0	380.401	0.264	20	5		GCBDRM
CC(C)(O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC001590899041	990852574	/nfs/dbraw/zinc/85/25/74/990852574.db2.gz	ORSSKKMOGWGVBU-UHFFFAOYSA-N	-1	0	387.414	0.370	20	5		GCBDRM
CS(=O)(=O)N1CCCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001599755342	992045171	/nfs/dbraw/zinc/04/51/71/992045171.db2.gz	HNSMWIHODFOYPX-UHFFFAOYSA-N	-1	0	387.414	0.526	20	5		GCBDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC001599764243	992162944	/nfs/dbraw/zinc/16/29/44/992162944.db2.gz	FHACVCZIIZRDAG-GXFFZTMASA-N	-1	0	376.774	0.866	20	5		GCBDRM
CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001598509725	992555287	/nfs/dbraw/zinc/55/52/87/992555287.db2.gz	IQFVZPVMLFYEIP-UHFFFAOYSA-N	-1	0	375.341	0.264	20	5		GCBDRM
CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598543876	992924581	/nfs/dbraw/zinc/92/45/81/992924581.db2.gz	QBMQDIRNBKZMCB-TXEJJXNPSA-N	-1	0	399.425	0.915	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O	ZINC001598566336	993149111	/nfs/dbraw/zinc/14/91/11/993149111.db2.gz	UYWAHTKQXNVYNB-SECBINFHSA-N	-1	0	377.762	0.164	20	5		GCBDRM
COc1ccc(NC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cc1[N+](=O)[O-]	ZINC001599595279	993741231	/nfs/dbraw/zinc/74/12/31/993741231.db2.gz	XVXOLDFEFIXASF-QGZVFWFLSA-N	-1	0	394.384	0.997	20	5		GCBDRM
CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@H]1CO	ZINC001598609786	993745305	/nfs/dbraw/zinc/74/53/05/993745305.db2.gz	HAJONZGQPHHFEK-LBPRGKRZSA-N	-1	0	383.426	0.910	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593169660	994021383	/nfs/dbraw/zinc/02/13/83/994021383.db2.gz	AXYFGBMZPJORBC-GTNSWQLSSA-N	-1	0	379.369	0.793	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC001598752425	995671283	/nfs/dbraw/zinc/67/12/83/995671283.db2.gz	RMQAGBSKDNCXDZ-HZMBPMFUSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC001598769360	995869159	/nfs/dbraw/zinc/86/91/59/995869159.db2.gz	UCZPEVAQCRQQJO-VXGBXAGGSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1	ZINC001598773503	995906719	/nfs/dbraw/zinc/90/67/19/995906719.db2.gz	ASBZHDCORTXMBR-IUODEOHRSA-N	-1	0	391.380	0.822	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	ZINC001598773857	995909545	/nfs/dbraw/zinc/90/95/45/995909545.db2.gz	JKRRMGLIVDLJEG-RISCZKNCSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1	ZINC001598776175	995932155	/nfs/dbraw/zinc/93/21/55/995932155.db2.gz	VXGATHJENSFTRA-WPRPVWTQSA-N	-1	0	380.309	0.802	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC001598781274	995986651	/nfs/dbraw/zinc/98/66/51/995986651.db2.gz	LKPLWDLUANRAJV-CMPLNLGQSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC001598781277	995987067	/nfs/dbraw/zinc/98/70/67/995987067.db2.gz	LKPLWDLUANRAJV-JQWIXIFHSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC001598783408	996007993	/nfs/dbraw/zinc/00/79/93/996007993.db2.gz	CSIIETIFMSYSBP-KCJUWKMLSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC001598793352	996092393	/nfs/dbraw/zinc/09/23/93/996092393.db2.gz	PHSNQIIHRSMNHQ-RISCZKNCSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C(=O)[O-])C1	ZINC001598797187	996116328	/nfs/dbraw/zinc/11/63/28/996116328.db2.gz	CQCVEESXWASLLG-ZYHUDNBSSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC001598809406	996217157	/nfs/dbraw/zinc/21/71/57/996217157.db2.gz	QFTHBQPPFKISGN-OLZOCXBDSA-N	-1	0	381.341	0.489	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C(=O)[O-]	ZINC001598825713	996380407	/nfs/dbraw/zinc/38/04/07/996380407.db2.gz	KVWSQEYEMFXEET-QWRGUYRKSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598825746	996380596	/nfs/dbraw/zinc/38/05/96/996380596.db2.gz	LKTAGYBPVXVUHO-DTWKUNHWSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598825745	996380602	/nfs/dbraw/zinc/38/06/02/996380602.db2.gz	LKTAGYBPVXVUHO-BDAKNGLRSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC001598827501	996399070	/nfs/dbraw/zinc/39/90/70/996399070.db2.gz	RKKKXATZAWMEQC-UWVGGRQHSA-N	-1	0	390.345	0.537	20	5		GCBDRM
COC(=O)N(C)CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001598877891	996776366	/nfs/dbraw/zinc/77/63/66/996776366.db2.gz	ZBIVFNWTULSIAJ-UHFFFAOYSA-N	-1	0	375.359	0.612	20	5		GCBDRM
CC1(C)CN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCO1	ZINC001593939540	996931466	/nfs/dbraw/zinc/93/14/66/996931466.db2.gz	NJOYCFROLNPSNT-UHFFFAOYSA-N	-1	0	387.414	0.682	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1	ZINC001599079806	996973200	/nfs/dbraw/zinc/97/32/00/996973200.db2.gz	YFMBTDAJLALJOQ-QGZVFWFLSA-N	-1	0	376.369	0.989	20	5		GCBDRM
COC[C@@H](OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001599183188	996980782	/nfs/dbraw/zinc/98/07/82/996980782.db2.gz	KCFDVYZZMPMZEW-OAHLLOKOSA-N	-1	0	395.368	0.520	20	5		GCBDRM
CC1(C)C[S@@](=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001593960975	997085178	/nfs/dbraw/zinc/08/51/78/997085178.db2.gz	SRFFCWRHTBHCPC-QHCPKHFHSA-N	-1	0	376.412	0.825	20	5		GCBDRM
COC(=O)[C@H]1[C@@H]2CN(c3ccc(C(=O)N[C@@H](C)C(=O)[O-])cc3[N+](=O)[O-])C[C@@H]21	ZINC001598901844	997186374	/nfs/dbraw/zinc/18/63/74/997186374.db2.gz	KJIHZZKPFLSNOD-HJUHTLPRSA-N	-1	0	377.353	0.653	20	5		GCBDRM
COc1cc(CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c([N+](=O)[O-])cc1F	ZINC001599408031	997364470	/nfs/dbraw/zinc/36/44/70/997364470.db2.gz	BTAKERUALFMZDK-SNVBAGLBSA-N	-1	0	376.362	0.816	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1[N+](=O)[O-]	ZINC001599335665	997831635	/nfs/dbraw/zinc/83/16/35/997831635.db2.gz	MHCFFWFKWMEIGH-CYBMUJFWSA-N	-1	0	378.334	0.655	20	5		GCBDRM
COCCN(CCOC)C1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001599236786	997961347	/nfs/dbraw/zinc/96/13/47/997961347.db2.gz	ABXOSLNCOYWJJA-UHFFFAOYSA-N	-1	0	381.385	0.712	20	5		GCBDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001599345706	998001832	/nfs/dbraw/zinc/00/18/32/998001832.db2.gz	NOVOVHLJQFJWLY-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
COc1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F	ZINC001599351010	998092666	/nfs/dbraw/zinc/09/26/66/998092666.db2.gz	LQDZZGMOKQEVBB-AWEZNQCLSA-N	-1	0	376.268	0.866	20	5		GCBDRM
C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1=O	ZINC001594276704	999069434	/nfs/dbraw/zinc/06/94/34/999069434.db2.gz	FMPFOAQMNTZCQP-KBVBSXBZSA-N	-1	0	383.382	0.581	20	5		GCBDRM
C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1=O	ZINC001594276705	999069644	/nfs/dbraw/zinc/06/96/44/999069644.db2.gz	FMPFOAQMNTZCQP-LNLATYFQSA-N	-1	0	383.382	0.581	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1	ZINC001599064928	999292305	/nfs/dbraw/zinc/29/23/05/999292305.db2.gz	DEDYYEXBLUDRGC-KRWDZBQOSA-N	-1	0	377.353	0.182	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC000571348454	530115051	/nfs/dbraw/zinc/11/50/51/530115051.db2.gz	WWSYRTJOKQITMU-DJNLSKAYSA-N	-1	0	376.412	0.418	20	5		GCBDRM
COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000437326729	530123692	/nfs/dbraw/zinc/12/36/92/530123692.db2.gz	UTCQVVKERPWHTA-UHFFFAOYSA-N	-1	0	375.750	0.814	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)(F)F	ZINC000286355433	530129888	/nfs/dbraw/zinc/12/98/88/530129888.db2.gz	JFLQANOELIRXFA-JTQLQIEISA-N	-1	0	385.320	0.853	20	5		GCBDRM
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000574092860	530131981	/nfs/dbraw/zinc/13/19/81/530131981.db2.gz	SQSYGYXGSFFAGD-QMMMGPOBSA-N	-1	0	378.384	0.101	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)c([N+](=O)[O-])n1	ZINC000537835857	530199218	/nfs/dbraw/zinc/19/92/18/530199218.db2.gz	BQGHVJOIXPXKRE-UHFFFAOYSA-N	-1	0	393.378	0.399	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C(=O)OC(C)(C)C)CCOC2)n1	ZINC000599341213	530161253	/nfs/dbraw/zinc/16/12/53/530161253.db2.gz	HUPYLYLRJSQQAR-ZDUSSCGKSA-N	-1	0	376.391	0.107	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(CS(C)(=O)=O)cc2)n1	ZINC000599227661	530161451	/nfs/dbraw/zinc/16/14/51/530161451.db2.gz	UKMDTBZAJGWEIE-UHFFFAOYSA-N	-1	0	388.427	0.351	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2CCC[C@](COC)(C(=O)[O-])C2)c([N+](=O)[O-])n1	ZINC000518362673	530187928	/nfs/dbraw/zinc/18/79/28/530187928.db2.gz	RTQXWFFLRDCHFH-ZDUSSCGKSA-N	-1	0	376.391	0.313	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2nc(CC(=O)OC)cs2)c([N+](=O)[O-])n1	ZINC000611028786	530228433	/nfs/dbraw/zinc/22/84/33/530228433.db2.gz	KDUPZRIKOIMKIJ-UHFFFAOYSA-N	-1	0	375.388	0.784	20	5		GCBDRM
O=C([O-])[C@]1(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOC1	ZINC000374443865	530238097	/nfs/dbraw/zinc/23/80/97/530238097.db2.gz	PYXRYIFHQVZWCW-NSHDSACASA-N	-1	0	395.187	0.879	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000574277828	530291757	/nfs/dbraw/zinc/29/17/57/530291757.db2.gz	QUYSAJLDKOQESC-GFCCVEGCSA-N	-1	0	392.411	0.030	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000614547170	530309618	/nfs/dbraw/zinc/30/96/18/530309618.db2.gz	OUWXVXDNLFSSRL-UHFFFAOYSA-N	-1	0	399.422	0.349	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000580266995	530323563	/nfs/dbraw/zinc/32/35/63/530323563.db2.gz	JUKUKVWYJWMRAC-SPSFWMDKSA-N	-1	0	376.412	0.418	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000580763080	530324187	/nfs/dbraw/zinc/32/41/87/530324187.db2.gz	JSGZKYGBYQEJTN-SNVBAGLBSA-N	-1	0	392.411	0.866	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1	ZINC000580966794	530324737	/nfs/dbraw/zinc/32/47/37/530324737.db2.gz	MXIOTLDAKFWYSX-VIFPVBQESA-N	-1	0	395.187	0.831	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000570839915	530326005	/nfs/dbraw/zinc/32/60/05/530326005.db2.gz	SGYDSRMJPVLGFQ-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
COC[C@](C)(NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000581941994	530326514	/nfs/dbraw/zinc/32/65/14/530326514.db2.gz	PEZMUUSRGXZAEZ-ZDUSSCGKSA-N	-1	0	376.343	0.134	20	5		GCBDRM
COCc1nc(=NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])s[n-]1	ZINC000543174721	530451497	/nfs/dbraw/zinc/45/14/97/530451497.db2.gz	GBCVMKVJDXMPBI-UHFFFAOYSA-N	-1	0	383.411	0.844	20	5		GCBDRM
CCn1cc(S(=O)(=O)NCCc2nc(C(=O)[O-])cs2)c([N+](=O)[O-])n1	ZINC000567808107	530473074	/nfs/dbraw/zinc/47/30/74/530473074.db2.gz	FYTFGFLLEJFUQK-UHFFFAOYSA-N	-1	0	375.388	0.487	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000569238242	530496918	/nfs/dbraw/zinc/49/69/18/530496918.db2.gz	IRRRHQJBKFQJPF-VIFPVBQESA-N	-1	0	392.411	0.457	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)Cc1ccccc1	ZINC000569671174	530500810	/nfs/dbraw/zinc/50/08/10/530500810.db2.gz	DJJPXALZPVJHJT-GWCFXTLKSA-N	-1	0	386.407	0.991	20	5		GCBDRM
CCOC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000569792334	530500856	/nfs/dbraw/zinc/50/08/56/530500856.db2.gz	GRYQNCYEKOEYEY-JTQLQIEISA-N	-1	0	376.343	0.149	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC000571348457	530507227	/nfs/dbraw/zinc/50/72/27/530507227.db2.gz	WWSYRTJOKQITMU-WYVULQQZSA-N	-1	0	376.412	0.418	20	5		GCBDRM
COCCCN(CCOC)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000574397451	530502711	/nfs/dbraw/zinc/50/27/11/530502711.db2.gz	SJDIWMJYDIRVBC-UHFFFAOYSA-N	-1	0	376.387	0.967	20	5		GCBDRM
COCCCN(CCOC)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000573852745	530529411	/nfs/dbraw/zinc/52/94/11/530529411.db2.gz	IUVIZWCQCMMENX-UHFFFAOYSA-N	-1	0	376.387	0.967	20	5		GCBDRM
CCS(=O)(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414388151	530598230	/nfs/dbraw/zinc/59/82/30/530598230.db2.gz	BOMMPUHEQLVETR-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
O=C([O-])Cn1cc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])nn1	ZINC000439715604	530665295	/nfs/dbraw/zinc/66/52/95/530665295.db2.gz	FTSZANVLCHDCBL-UHFFFAOYSA-N	-1	0	384.146	0.963	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1	ZINC000546252094	530693057	/nfs/dbraw/zinc/69/30/57/530693057.db2.gz	ZIQKWKFXIVNISD-JTQLQIEISA-N	-1	0	392.411	0.457	20	5		GCBDRM
CSC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000592137109	530757153	/nfs/dbraw/zinc/75/71/53/530757153.db2.gz	CWOPBPCICOWLGE-CYBMUJFWSA-N	-1	0	378.428	0.994	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000593314054	530799844	/nfs/dbraw/zinc/79/98/44/530799844.db2.gz	GUHAXDPNCDRKCN-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C)ccc1[N+](=O)[O-]	ZINC000349565041	530809128	/nfs/dbraw/zinc/80/91/28/530809128.db2.gz	KVDDCHHCMXSRBO-UHFFFAOYSA-N	-1	0	380.448	0.712	20	5		GCBDRM
COCCOC[C@@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000462418008	530816000	/nfs/dbraw/zinc/81/60/00/530816000.db2.gz	FYHDBQQRNPGVME-SNVBAGLBSA-N	-1	0	376.387	0.696	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1	ZINC000275100963	530851776	/nfs/dbraw/zinc/85/17/76/530851776.db2.gz	QOVZBDKYYZWYES-SSDOTTSWSA-N	-1	0	379.778	0.554	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](C[C@@H](OC)C2CC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000594573759	530870072	/nfs/dbraw/zinc/87/00/72/530870072.db2.gz	RXWRMVWEJSGFEH-VHSXEESVSA-N	-1	0	376.391	0.358	20	5		GCBDRM
C[C@H]([C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000576759966	530870941	/nfs/dbraw/zinc/87/09/41/530870941.db2.gz	NBWZIAULXZDGSE-DTWKUNHWSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)c([N+](=O)[O-])n1	ZINC000534496066	530903352	/nfs/dbraw/zinc/90/33/52/530903352.db2.gz	JSWLPWPZEAHYSC-UHFFFAOYSA-N	-1	0	389.415	0.568	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)c([N+](=O)[O-])n1	ZINC000535234740	530903724	/nfs/dbraw/zinc/90/37/24/530903724.db2.gz	RNUFWZRRCPZQGD-UHFFFAOYSA-N	-1	0	375.388	0.411	20	5		GCBDRM
O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000274903552	530905473	/nfs/dbraw/zinc/90/54/73/530905473.db2.gz	IRFSYWGHMRENRE-SECBINFHSA-N	-1	0	383.176	0.471	20	5		GCBDRM
COCCN(CCOC)S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000274897332	530905678	/nfs/dbraw/zinc/90/56/78/530905678.db2.gz	HGTNSANXRXJDOZ-UHFFFAOYSA-N	-1	0	377.375	0.545	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275088729	530906133	/nfs/dbraw/zinc/90/61/33/530906133.db2.gz	OMJISMNMCZFRDA-QMMMGPOBSA-N	-1	0	379.778	0.554	20	5		GCBDRM
O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000274999374	530906267	/nfs/dbraw/zinc/90/62/67/530906267.db2.gz	NWCGECFBYVKVLY-JTQLQIEISA-N	-1	0	393.805	0.312	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000275069269	530906479	/nfs/dbraw/zinc/90/64/79/530906479.db2.gz	GTIUBADGRPHCJZ-SECBINFHSA-N	-1	0	395.187	0.831	20	5		GCBDRM
COCCOCCS(=O)(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000275149790	530907150	/nfs/dbraw/zinc/90/71/50/530907150.db2.gz	YHXYITGBDXMUNI-ZDUSSCGKSA-N	-1	0	376.387	0.173	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000275207789	530907223	/nfs/dbraw/zinc/90/72/23/530907223.db2.gz	ZMEUBOWFFHWCQW-JTQLQIEISA-N	-1	0	392.411	0.166	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275129056	530907300	/nfs/dbraw/zinc/90/73/00/530907300.db2.gz	VAVOLKWUZQCHAM-VIFPVBQESA-N	-1	0	397.203	0.780	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000275240747	530907660	/nfs/dbraw/zinc/90/76/60/530907660.db2.gz	GQGAZFODJCLPHM-UHFFFAOYSA-N	-1	0	397.203	0.733	20	5		GCBDRM
O=C([O-])CN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000275396247	530908753	/nfs/dbraw/zinc/90/87/53/530908753.db2.gz	YRGRNUAKXISPQB-UHFFFAOYSA-N	-1	0	383.176	0.425	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000275167582	530885543	/nfs/dbraw/zinc/88/55/43/530885543.db2.gz	UWBQMNCEDIWAJP-VIFPVBQESA-N	-1	0	395.187	0.831	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000370544289	530887791	/nfs/dbraw/zinc/88/77/91/530887791.db2.gz	REJFWLRTCCCRSR-VIFPVBQESA-N	-1	0	395.187	0.831	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424363636	530888847	/nfs/dbraw/zinc/88/88/47/530888847.db2.gz	BTIJIQQSNXWRAC-SECBINFHSA-N	-1	0	398.802	0.121	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000373615101	530893825	/nfs/dbraw/zinc/89/38/25/530893825.db2.gz	GSUCPUQFYMTNLS-QMMMGPOBSA-N	-1	0	378.334	0.607	20	5		GCBDRM
Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600650507	530931595	/nfs/dbraw/zinc/93/15/95/530931595.db2.gz	LWJDZMOZRPDCLG-UHFFFAOYSA-N	-1	0	388.427	0.982	20	5		GCBDRM
COC(=O)Nc1ccc(S(=O)(=O)NCCSCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000277221103	530913303	/nfs/dbraw/zinc/91/33/03/530913303.db2.gz	HWWRAVILVICLKP-UHFFFAOYSA-N	-1	0	393.399	0.869	20	5		GCBDRM
COc1cc([N+](=O)[O-])c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1SC	ZINC000277769087	530914729	/nfs/dbraw/zinc/91/47/29/530914729.db2.gz	VYYGLESXWNWXGL-UHFFFAOYSA-N	-1	0	391.427	0.521	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000281983760	530922264	/nfs/dbraw/zinc/92/22/64/530922264.db2.gz	GJGJKMILHTZISR-UHFFFAOYSA-N	-1	0	394.203	0.553	20	5		GCBDRM
NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1	ZINC000392969511	530923923	/nfs/dbraw/zinc/92/39/23/530923923.db2.gz	AWNGYDYCVOKIDJ-UHFFFAOYSA-N	-1	0	389.386	0.860	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2CCN3CCC[C@@H]3[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000556778403	530936976	/nfs/dbraw/zinc/93/69/76/530936976.db2.gz	AVBCTQVHDXWOIH-SKDRFNHKSA-N	-1	0	375.428	0.887	20	5		GCBDRM
O=C([O-])CN(CCO)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000275296471	530946756	/nfs/dbraw/zinc/94/67/56/530946756.db2.gz	MTBPAHWJTZSNER-UHFFFAOYSA-N	-1	0	383.176	0.425	20	5		GCBDRM
C[C@H](O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000274946724	530950317	/nfs/dbraw/zinc/95/03/17/530950317.db2.gz	RVDWOMKULVGKIQ-CDUCUWFYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
COCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000275031102	530993851	/nfs/dbraw/zinc/99/38/51/530993851.db2.gz	FQQXDNGQSQRGRI-SNVBAGLBSA-N	-1	0	376.343	0.149	20	5		GCBDRM
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c1	ZINC000461114917	530990142	/nfs/dbraw/zinc/99/01/42/530990142.db2.gz	UNLFCZDVHUEPLR-UHFFFAOYSA-N	-1	0	386.411	0.463	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000547928961	531020914	/nfs/dbraw/zinc/02/09/14/531020914.db2.gz	KUIVUQATZMWMEZ-GFCCVEGCSA-N	-1	0	392.411	0.084	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000548207493	531087938	/nfs/dbraw/zinc/08/79/38/531087938.db2.gz	KSHYMTNUUDETSN-QMMMGPOBSA-N	-1	0	382.297	0.768	20	5		GCBDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000270411803	531088544	/nfs/dbraw/zinc/08/85/44/531088544.db2.gz	CJJSIZMLQCIHRF-UHFFFAOYSA-N	-1	0	376.343	0.088	20	5		GCBDRM
COc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000737160844	599041911	/nfs/dbraw/zinc/04/19/11/599041911.db2.gz	FTWAXSQDYWGRLD-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826450428	607777321	/nfs/dbraw/zinc/77/73/21/607777321.db2.gz	LZGBMHXGBICXNS-UHFFFAOYSA-N	-1	0	381.305	0.361	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cn1	ZINC000821727134	599233301	/nfs/dbraw/zinc/23/33/01/599233301.db2.gz	CQIKBGNYYROCGN-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262690010	597067374	/nfs/dbraw/zinc/06/73/74/597067374.db2.gz	VXZNWUXDGFBTGL-ZDUSSCGKSA-N	-1	0	387.414	0.831	20	5		GCBDRM
O=C([O-])C[C@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1	ZINC000819351524	597097791	/nfs/dbraw/zinc/09/77/91/597097791.db2.gz	ROSVDLIZLWOLDR-SNVBAGLBSA-N	-1	0	375.337	0.904	20	5		GCBDRM
O=C([O-])CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262280298	597113997	/nfs/dbraw/zinc/11/39/97/597113997.db2.gz	WMOCNWREZWHUNG-CYBMUJFWSA-N	-1	0	385.398	0.729	20	5		GCBDRM
C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262732015	597466896	/nfs/dbraw/zinc/46/68/96/597466896.db2.gz	CEFKELSVQVJBET-MFKMUULPSA-N	-1	0	385.398	0.679	20	5		GCBDRM
C[C@@H](C(=O)[O-])N(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000262113413	597485508	/nfs/dbraw/zinc/48/55/08/597485508.db2.gz	KSLNVVBBVQOKKB-NSHDSACASA-N	-1	0	386.430	0.440	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000610891722	597495202	/nfs/dbraw/zinc/49/52/02/597495202.db2.gz	NUWYAXXHTGLSBP-ZJUUUORDSA-N	-1	0	385.398	0.972	20	5		GCBDRM
CC(=O)NCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)C(=O)[O-]	ZINC000819769880	597676598	/nfs/dbraw/zinc/67/65/98/597676598.db2.gz	CIMLNGFJQKXDCJ-LLVKDONJSA-N	-1	0	378.385	0.395	20	5		GCBDRM
CC(=O)NCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H](C)C(=O)[O-]	ZINC000781136926	597686903	/nfs/dbraw/zinc/68/69/03/597686903.db2.gz	RHXCQDGBKQINPT-SNVBAGLBSA-N	-1	0	377.357	0.382	20	5		GCBDRM
COc1ccc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000275192493	597698615	/nfs/dbraw/zinc/69/86/15/597698615.db2.gz	YATJBTGIZMVOFN-SECBINFHSA-N	-1	0	389.386	0.203	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC000819752714	597700981	/nfs/dbraw/zinc/70/09/81/597700981.db2.gz	AYYUJFKINCBKDI-VIFPVBQESA-N	-1	0	382.329	0.863	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc(-c2nn[nH]n2)c1	ZINC000738140802	598752697	/nfs/dbraw/zinc/75/26/97/598752697.db2.gz	WTUDLQAMPYYVAW-UHFFFAOYSA-N	-1	0	380.367	0.955	20	5		GCBDRM
CC1(C)CN(CCNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000736735400	599706234	/nfs/dbraw/zinc/70/62/34/599706234.db2.gz	IUEVDNHVIMROAH-UHFFFAOYSA-N	-1	0	380.401	0.932	20	5		GCBDRM
Cc1cc(=O)c(C(=O)Nc2ccn(CC(=O)[O-])n2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000485900549	599737298	/nfs/dbraw/zinc/73/72/98/599737298.db2.gz	PEJXAVXDCLGTLJ-UHFFFAOYSA-N	-1	0	398.335	0.983	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1	ZINC000739913415	599740765	/nfs/dbraw/zinc/74/07/65/599740765.db2.gz	WBUQQWOAECBIOQ-UHFFFAOYSA-N	-1	0	376.329	0.314	20	5		GCBDRM
CC[C@H](C)[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000486020963	599744820	/nfs/dbraw/zinc/74/48/20/599744820.db2.gz	SKHYEJXWMPVXBZ-HZMBPMFUSA-N	-1	0	387.414	0.879	20	5		GCBDRM
Cc1c(C(=O)N2CCCn3nc(C(=O)[O-])nc32)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000738261173	599766412	/nfs/dbraw/zinc/76/64/12/599766412.db2.gz	YIBPVGYIONBOJO-UHFFFAOYSA-N	-1	0	398.339	0.824	20	5		GCBDRM
C[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000594461259	599781218	/nfs/dbraw/zinc/78/12/18/599781218.db2.gz	ZBEYRCBNMGWFJF-VXGBXAGGSA-N	-1	0	399.425	0.832	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000610892161	599939654	/nfs/dbraw/zinc/93/96/54/599939654.db2.gz	YYXHLGYPMYLOIO-CABCVRRESA-N	-1	0	391.380	0.820	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000610892149	599948385	/nfs/dbraw/zinc/94/83/85/599948385.db2.gz	XKCPPTVBVCUPPJ-LLVKDONJSA-N	-1	0	393.381	0.800	20	5		GCBDRM
O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCO1	ZINC000738551148	599960242	/nfs/dbraw/zinc/96/02/42/599960242.db2.gz	IRXFJURQDQWKPX-ZDUSSCGKSA-N	-1	0	385.398	0.669	20	5		GCBDRM
O=C([O-])[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCO1	ZINC000738551146	599960337	/nfs/dbraw/zinc/96/03/37/599960337.db2.gz	IRXFJURQDQWKPX-CYBMUJFWSA-N	-1	0	385.398	0.669	20	5		GCBDRM
CCc1nc2n(n1)C[C@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000737284111	599967583	/nfs/dbraw/zinc/96/75/83/599967583.db2.gz	MFQOVSCRBMXMSZ-LLVKDONJSA-N	-1	0	388.384	0.990	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCO[C@@H](Cn2cncn2)C1	ZINC000740095579	599967975	/nfs/dbraw/zinc/96/79/75/599967975.db2.gz	JJWIXDDPCFEOEI-SNVBAGLBSA-N	-1	0	378.301	0.698	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCO[C@H](Cn2cncn2)C1	ZINC000740095578	599968087	/nfs/dbraw/zinc/96/80/87/599968087.db2.gz	JJWIXDDPCFEOEI-JTQLQIEISA-N	-1	0	378.301	0.698	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000738551960	599984553	/nfs/dbraw/zinc/98/45/53/599984553.db2.gz	LPMOZNNAAYIZLM-VIFPVBQESA-N	-1	0	395.187	0.831	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O	ZINC000737618150	600026917	/nfs/dbraw/zinc/02/69/17/600026917.db2.gz	NYMQJQJVENVGRK-UHFFFAOYSA-N	-1	0	378.341	0.373	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000463465402	600027564	/nfs/dbraw/zinc/02/75/64/600027564.db2.gz	XUTCTUNKMFPAFG-LLVKDONJSA-N	-1	0	385.398	0.586	20	5		GCBDRM
O=C([O-])Cn1ncc2c1ncn(Cc1cc([N+](=O)[O-])cc3c1OCOC3)c2=O	ZINC000739919686	600030742	/nfs/dbraw/zinc/03/07/42/600030742.db2.gz	JNPWJHDFVURREU-UHFFFAOYSA-N	-1	0	387.308	0.501	20	5		GCBDRM
O=C([O-])Cn1ncc2c1ncn(CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)c2=O	ZINC000739921607	600032980	/nfs/dbraw/zinc/03/29/80/600032980.db2.gz	WFKFHPFXXOKZPZ-UHFFFAOYSA-N	-1	0	398.335	0.175	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000739791947	600162160	/nfs/dbraw/zinc/16/21/60/600162160.db2.gz	RGNIUKKTBRTDJJ-UHFFFAOYSA-N	-1	0	387.414	0.143	20	5		GCBDRM
CN(C)CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000737370413	600181841	/nfs/dbraw/zinc/18/18/41/600181841.db2.gz	QIAVUWUGVWHLTN-CYBMUJFWSA-N	-1	0	399.425	0.484	20	5		GCBDRM
C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1=O	ZINC000736737454	600188780	/nfs/dbraw/zinc/18/87/80/600188780.db2.gz	ISLQEUHFNUYGGL-MRXNPFEDSA-N	-1	0	376.325	0.952	20	5		GCBDRM
O=C([O-])CCSCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000739742895	600253156	/nfs/dbraw/zinc/25/31/56/600253156.db2.gz	FQTSTIUNLFMEBA-UHFFFAOYSA-N	-1	0	383.382	0.644	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NC[C@H](O)C2CCOCC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655479	600259677	/nfs/dbraw/zinc/25/96/77/600259677.db2.gz	DEIPSIBYCNZDAB-BMIGLBTASA-N	-1	0	381.385	0.997	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000739787258	600266356	/nfs/dbraw/zinc/26/63/56/600266356.db2.gz	ZBJTUAFXIAFVAJ-UHFFFAOYSA-N	-1	0	382.329	0.362	20	5		GCBDRM
CC(=O)N(C)C1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736122998	600432001	/nfs/dbraw/zinc/43/20/01/600432001.db2.gz	ASDAWGHYBNUCPQ-UHFFFAOYSA-N	-1	0	378.385	0.856	20	5		GCBDRM
COCCN(CC(=O)[O-])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000737777936	600447192	/nfs/dbraw/zinc/44/71/92/600447192.db2.gz	RSLORDBJJHZDHS-UHFFFAOYSA-N	-1	0	380.401	0.276	20	5		GCBDRM
O=C([O-])Cn1cc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1	ZINC000739900826	600527394	/nfs/dbraw/zinc/52/73/94/600527394.db2.gz	ZKENAHKVOQDFMQ-UHFFFAOYSA-N	-1	0	375.297	0.240	20	5		GCBDRM
O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000261721187	600537050	/nfs/dbraw/zinc/53/70/50/600537050.db2.gz	FFDBMNWUTJGNDU-FZMZJTMJSA-N	-1	0	397.409	0.681	20	5		GCBDRM
O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000261721188	600537080	/nfs/dbraw/zinc/53/70/80/600537080.db2.gz	FFDBMNWUTJGNDU-RISCZKNCSA-N	-1	0	397.409	0.681	20	5		GCBDRM
C[C@H](CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263079636	600544158	/nfs/dbraw/zinc/54/41/58/600544158.db2.gz	BDFCFFUWVMRPDO-BXUZGUMPSA-N	-1	0	399.425	0.927	20	5		GCBDRM
O=C([O-])[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(O)cc1	ZINC000739356326	600585124	/nfs/dbraw/zinc/58/51/24/600585124.db2.gz	HSBDHYVSGNGTDY-GFCCVEGCSA-N	-1	0	375.337	0.522	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000737800813	600618817	/nfs/dbraw/zinc/61/88/17/600618817.db2.gz	ORWIGGNARDFFOX-UHFFFAOYSA-N	-1	0	381.385	0.995	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000739790394	600671161	/nfs/dbraw/zinc/67/11/61/600671161.db2.gz	HIEPXVVZCHXNKB-UHFFFAOYSA-N	-1	0	390.400	0.530	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000739789534	600671322	/nfs/dbraw/zinc/67/13/22/600671322.db2.gz	BKQRIWHJZJVOPL-UHFFFAOYSA-N	-1	0	390.400	0.530	20	5		GCBDRM
CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000737413331	600709640	/nfs/dbraw/zinc/70/96/40/600709640.db2.gz	LQOSQIDUPCLOAQ-JTQLQIEISA-N	-1	0	385.398	0.280	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657073	600709644	/nfs/dbraw/zinc/70/96/44/600709644.db2.gz	NNILETGLKRFRGE-QWRGUYRKSA-N	-1	0	399.425	0.669	20	5		GCBDRM
CN(CC(=O)[O-])C(=O)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000737400840	600717789	/nfs/dbraw/zinc/71/77/89/600717789.db2.gz	DPUWUYATKLOTFK-UHFFFAOYSA-N	-1	0	378.385	0.286	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C[C@](C)(O)C(=O)[O-])CC1	ZINC000738663921	600761659	/nfs/dbraw/zinc/76/16/59/600761659.db2.gz	DXXHGXKBONQWPH-HNNXBMFYSA-N	-1	0	387.414	0.045	20	5		GCBDRM
COCCN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	ZINC000831744571	600812793	/nfs/dbraw/zinc/81/27/93/600812793.db2.gz	LIMLOIBJFGEPEN-GFCCVEGCSA-N	-1	0	380.401	0.566	20	5		GCBDRM
CN(CC(=O)N(CCN1CCOCC1)CC(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000830665775	600882671	/nfs/dbraw/zinc/88/26/71/600882671.db2.gz	UWDBKYLTPUINLK-UHFFFAOYSA-N	-1	0	380.401	0.276	20	5		GCBDRM
Cc1c(C(=O)NCCSCC(=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832850327	600934242	/nfs/dbraw/zinc/93/42/42/600934242.db2.gz	BURHUCGEBRELHQ-UHFFFAOYSA-N	-1	0	377.400	0.098	20	5		GCBDRM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	ZINC000600869504	601086252	/nfs/dbraw/zinc/08/62/52/601086252.db2.gz	MOPTZBGVNDBNFH-NSHDSACASA-N	-1	0	379.369	0.987	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccn1	ZINC000739273244	601124555	/nfs/dbraw/zinc/12/45/55/601124555.db2.gz	GJJUNIHAAPASSU-INIZCTEOSA-N	-1	0	386.320	0.657	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000832454915	601259576	/nfs/dbraw/zinc/25/95/76/601259576.db2.gz	CKUDCTJYURTYHT-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
COc1cc(CCNC(=O)Cn2cc(C(=O)[O-])nn2)c([N+](=O)[O-])cc1OC	ZINC000294906207	601273209	/nfs/dbraw/zinc/27/32/09/601273209.db2.gz	IEHLPDSVAJPEML-UHFFFAOYSA-N	-1	0	379.329	0.261	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccn1	ZINC000833140573	601288432	/nfs/dbraw/zinc/28/84/32/601288432.db2.gz	NPGCBJTWBCAJHB-UHFFFAOYSA-N	-1	0	394.365	0.396	20	5		GCBDRM
C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000828485184	601289592	/nfs/dbraw/zinc/28/95/92/601289592.db2.gz	DXDOHDVGZKPFGM-NOZJJQNGSA-N	-1	0	385.398	0.693	20	5		GCBDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262084306	601295851	/nfs/dbraw/zinc/29/58/51/601295851.db2.gz	KRAPEUCGVRSMSG-MRXNPFEDSA-N	-1	0	381.341	0.316	20	5		GCBDRM
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@@H](CC(=O)[O-])C2)C1=O	ZINC000828121414	601373906	/nfs/dbraw/zinc/37/39/06/601373906.db2.gz	GYYNRAJVKJLTRP-GUYCJALGSA-N	-1	0	392.368	0.495	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702955	601380663	/nfs/dbraw/zinc/38/06/63/601380663.db2.gz	DWVZGMSJKGEPHN-KOLCDFICSA-N	-1	0	376.369	0.973	20	5		GCBDRM
CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](CC(=O)[O-])C1	ZINC000831837053	601381693	/nfs/dbraw/zinc/38/16/93/601381693.db2.gz	VKKWRNWPFWFWQL-LLVKDONJSA-N	-1	0	389.386	0.457	20	5		GCBDRM
COC(=O)CNC(=O)c1ccc(N2CCO[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831180438	601381920	/nfs/dbraw/zinc/38/19/20/601381920.db2.gz	SPINKTPZAXRKIN-NSHDSACASA-N	-1	0	381.341	0.178	20	5		GCBDRM
COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000831071261	601506779	/nfs/dbraw/zinc/50/67/79/601506779.db2.gz	ACLROWICIWUEIF-QMMMGPOBSA-N	-1	0	380.762	0.851	20	5		GCBDRM
O=C([O-])C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000767076563	601527230	/nfs/dbraw/zinc/52/72/30/601527230.db2.gz	ZARQCELDASRASV-CYBMUJFWSA-N	-1	0	385.398	0.633	20	5		GCBDRM
C[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000828499596	601563710	/nfs/dbraw/zinc/56/37/10/601563710.db2.gz	CQQFMJWJNLSVSV-WCQYABFASA-N	-1	0	399.425	0.773	20	5		GCBDRM
C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000828499597	601563745	/nfs/dbraw/zinc/56/37/45/601563745.db2.gz	CQQFMJWJNLSVSV-YPMHNXCESA-N	-1	0	399.425	0.773	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C(=O)[O-])C3CC3)cc2[N+](=O)[O-])CC1	ZINC000825847581	601593259	/nfs/dbraw/zinc/59/32/59/601593259.db2.gz	UNVZALQAVJSBQP-INIZCTEOSA-N	-1	0	390.396	0.856	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1	ZINC000833216109	601668319	/nfs/dbraw/zinc/66/83/19/601668319.db2.gz	ZSPKXVBXLBYFKH-GHMZBOCLSA-N	-1	0	397.409	0.963	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCC(OCCCO)CC2)c([N+](=O)[O-])c1	ZINC000833252209	601688753	/nfs/dbraw/zinc/68/87/53/601688753.db2.gz	IRPUAHVXIBQHHG-UHFFFAOYSA-N	-1	0	381.385	0.777	20	5		GCBDRM
CN(CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000830665588	601709061	/nfs/dbraw/zinc/70/90/61/601709061.db2.gz	CFUMYVOSAWCQJN-AWEZNQCLSA-N	-1	0	389.361	0.241	20	5		GCBDRM
Cc1c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832850584	601712512	/nfs/dbraw/zinc/71/25/12/601712512.db2.gz	ZYDBFGUGVBHUPT-ZDUSSCGKSA-N	-1	0	375.334	0.189	20	5		GCBDRM
O=C([O-])[C@@]1(F)CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000833100855	601712735	/nfs/dbraw/zinc/71/27/35/601712735.db2.gz	NGLVHWLRRPVVKQ-CQSZACIVSA-N	-1	0	389.361	0.288	20	5		GCBDRM
O=C([O-])C1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CCS(=O)(=O)CC1	ZINC000833100362	601719883	/nfs/dbraw/zinc/71/98/83/601719883.db2.gz	GXRNQVWJSQVORT-UHFFFAOYSA-N	-1	0	385.398	0.545	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-]	ZINC000595996128	601736657	/nfs/dbraw/zinc/73/66/57/601736657.db2.gz	AXOPZQHJURGAQP-OAHLLOKOSA-N	-1	0	393.381	0.848	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000262858367	601741209	/nfs/dbraw/zinc/74/12/09/601741209.db2.gz	WDSJHINFFSNSIF-JTQLQIEISA-N	-1	0	383.382	0.488	20	5		GCBDRM
O=C([O-])[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000462646977	601744176	/nfs/dbraw/zinc/74/41/76/601744176.db2.gz	XDUSJOPXFGFUMN-CYBMUJFWSA-N	-1	0	385.398	0.729	20	5		GCBDRM
CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000610891944	601749592	/nfs/dbraw/zinc/74/95/92/601749592.db2.gz	IUNPMFUZOSSWQD-BXUZGUMPSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000828334722	601758400	/nfs/dbraw/zinc/75/84/00/601758400.db2.gz	PPKIFXFUHMGUDJ-GXFFZTMASA-N	-1	0	385.398	0.442	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000832856296	601808298	/nfs/dbraw/zinc/80/82/98/601808298.db2.gz	PCIIXBRFDVFTFC-UHFFFAOYSA-N	-1	0	392.411	0.214	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000263448531	601864919	/nfs/dbraw/zinc/86/49/19/601864919.db2.gz	ZLUWAPDWVKQNNK-MRXNPFEDSA-N	-1	0	399.425	0.917	20	5		GCBDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000736371683	601904357	/nfs/dbraw/zinc/90/43/57/601904357.db2.gz	VKNFQOVZXORIBZ-LBPRGKRZSA-N	-1	0	388.402	0.282	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1	ZINC000832958554	602069192	/nfs/dbraw/zinc/06/91/92/602069192.db2.gz	KTXWMWLUAYURFN-GFCCVEGCSA-N	-1	0	399.425	0.847	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccccn2)c1-c1nnn[n-]1	ZINC000826500487	607575010	/nfs/dbraw/zinc/57/50/10/607575010.db2.gz	ZTYGLLYVLCXDLQ-UHFFFAOYSA-N	-1	0	375.370	0.691	20	5		GCBDRM
COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826133017	607581613	/nfs/dbraw/zinc/58/16/13/607581613.db2.gz	IIPCKJVXRBIYOR-SECBINFHSA-N	-1	0	382.358	0.101	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cccnc2)c1-c1nnn[n-]1	ZINC000826499970	607582837	/nfs/dbraw/zinc/58/28/37/607582837.db2.gz	GRPSFPHQISLNFF-UHFFFAOYSA-N	-1	0	375.370	0.691	20	5		GCBDRM
C[C@H](CN1CCCC1=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824414244	607593576	/nfs/dbraw/zinc/59/35/76/607593576.db2.gz	XYDZGVVJGOSWQY-SECBINFHSA-N	-1	0	395.401	0.064	20	5		GCBDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000736368918	602960200	/nfs/dbraw/zinc/96/02/00/602960200.db2.gz	GSZAWWOQPZEGHW-LBPRGKRZSA-N	-1	0	388.402	0.282	20	5		GCBDRM
NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCCC1	ZINC000826389923	607599454	/nfs/dbraw/zinc/59/94/54/607599454.db2.gz	LNWXFGLLNCXYCI-UHFFFAOYSA-N	-1	0	395.401	0.241	20	5		GCBDRM
COC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000821665980	607604337	/nfs/dbraw/zinc/60/43/37/607604337.db2.gz	OXNXQTAPMMMONO-VIFPVBQESA-N	-1	0	396.385	0.349	20	5		GCBDRM
O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)OCC1CC1	ZINC000826413284	607605080	/nfs/dbraw/zinc/60/50/80/607605080.db2.gz	YXCAZCWJGCGDBT-UHFFFAOYSA-N	-1	0	382.358	0.006	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccccc2)c1-c1nnn[n-]1	ZINC000826500161	607623052	/nfs/dbraw/zinc/62/30/52/607623052.db2.gz	NJIHFDNKAALHNA-GFCCVEGCSA-N	-1	0	390.381	0.787	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)c1-c1nnn[n-]1	ZINC000826499987	607643606	/nfs/dbraw/zinc/64/36/06/607643606.db2.gz	HJFSYJJIKCDFEV-GXSJLCMTSA-N	-1	0	382.402	0.604	20	5		GCBDRM
CCc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)on1	ZINC000825700850	607643915	/nfs/dbraw/zinc/64/39/15/607643915.db2.gz	WGCJERGQEVXPQV-UHFFFAOYSA-N	-1	0	379.358	0.804	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)c1cnn(C)c1	ZINC000824640314	607645012	/nfs/dbraw/zinc/64/50/12/607645012.db2.gz	GGYKWZHPTYOVCQ-MRVPVSSYSA-N	-1	0	378.374	0.548	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)c1cnn(C)c1	ZINC000824640315	607645045	/nfs/dbraw/zinc/64/50/45/607645045.db2.gz	GGYKWZHPTYOVCQ-QMMMGPOBSA-N	-1	0	378.374	0.548	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)c1-c1nnn[n-]1	ZINC000826500484	607646236	/nfs/dbraw/zinc/64/62/36/607646236.db2.gz	ZSGUMVNSJRRMNZ-UWVGGRQHSA-N	-1	0	382.402	0.604	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)c1-c1nnn[n-]1	ZINC000826500483	607646593	/nfs/dbraw/zinc/64/65/93/607646593.db2.gz	ZSGUMVNSJRRMNZ-NXEZZACHSA-N	-1	0	382.402	0.604	20	5		GCBDRM
NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826390034	607663345	/nfs/dbraw/zinc/66/33/45/607663345.db2.gz	OJGZZIIWDVKAGP-IUCAKERBSA-N	-1	0	395.401	0.097	20	5		GCBDRM
CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCOCC1	ZINC000824822590	607667047	/nfs/dbraw/zinc/66/70/47/607667047.db2.gz	FAYPSBCKKPFPBX-UHFFFAOYSA-N	-1	0	382.402	0.870	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(OCC(F)F)C2)c1-c1nnn[n-]1	ZINC000826500459	607668535	/nfs/dbraw/zinc/66/85/35/607668535.db2.gz	ZAURRWGFQLSVAF-UHFFFAOYSA-N	-1	0	390.328	0.430	20	5		GCBDRM
C[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824402647	607669953	/nfs/dbraw/zinc/66/99/53/607669953.db2.gz	XNTCZWNSDLIZBY-ZJUUUORDSA-N	-1	0	382.402	0.868	20	5		GCBDRM
CCOC(=O)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825486006	607673685	/nfs/dbraw/zinc/67/36/85/607673685.db2.gz	LOIFWJINVXOTGC-QMMMGPOBSA-N	-1	0	384.374	0.252	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCc3c[nH]nc32)c1-c1nnn[n-]1	ZINC000826500012	607676135	/nfs/dbraw/zinc/67/61/35/607676135.db2.gz	HYZMAJOXGNUNQM-SECBINFHSA-N	-1	0	390.385	0.854	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)cc(F)c1F	ZINC000833305161	604363700	/nfs/dbraw/zinc/36/37/00/604363700.db2.gz	ZGCBSSUOKZGGSV-UHFFFAOYSA-N	-1	0	376.297	0.746	20	5		GCBDRM
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1	ZINC000831242752	604365538	/nfs/dbraw/zinc/36/55/38/604365538.db2.gz	QSLJDIOKFFUQCR-UHFFFAOYSA-N	-1	0	398.353	0.255	20	5		GCBDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000827010539	604392835	/nfs/dbraw/zinc/39/28/35/604392835.db2.gz	HLXMJOBBGPNTNU-LBPRGKRZSA-N	-1	0	388.398	0.949	20	5		GCBDRM
O=C([O-])N1CC(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000831852182	604414920	/nfs/dbraw/zinc/41/49/20/604414920.db2.gz	LTCRDNDOCBDPFS-UHFFFAOYSA-N	-1	0	380.176	0.998	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@H]1CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000830665754	604591662	/nfs/dbraw/zinc/59/16/62/604591662.db2.gz	RZBYRQCSNOBGAT-LLVKDONJSA-N	-1	0	385.398	0.681	20	5		GCBDRM
O=C([O-])N1CC(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000831847289	604614392	/nfs/dbraw/zinc/61/43/92/604614392.db2.gz	SAWYPHGGTBFTOR-UHFFFAOYSA-N	-1	0	377.357	0.424	20	5		GCBDRM
C[C@@H](CN(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263550715	604626879	/nfs/dbraw/zinc/62/68/79/604626879.db2.gz	KRDCUTLUAKLIFH-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
C[C@@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cn(CC(=O)[O-])nn1	ZINC000827866887	604693449	/nfs/dbraw/zinc/69/34/49/604693449.db2.gz	JIZKASWLLBFRGM-SECBINFHSA-N	-1	0	387.312	0.770	20	5		GCBDRM
O=C([O-])Cn1cc(CCOC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)nn1	ZINC000833269433	604695449	/nfs/dbraw/zinc/69/54/49/604695449.db2.gz	IYAXKGOTCDTLRK-UHFFFAOYSA-N	-1	0	387.308	0.924	20	5		GCBDRM
O=C([O-])Cn1cc(CCOC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)nn1	ZINC000833270256	604702045	/nfs/dbraw/zinc/70/20/45/604702045.db2.gz	UMMTUVGWFLDZDO-UHFFFAOYSA-N	-1	0	378.297	0.442	20	5		GCBDRM
O=C([O-])/C=C1\SCC(=O)N1CCCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1	ZINC000833195965	604760827	/nfs/dbraw/zinc/76/08/27/604760827.db2.gz	KVHPBIVRVPMWHP-WCIBSUBMSA-N	-1	0	384.326	0.556	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)NC3CN(C(=O)[O-])C3)cc2[N+](=O)[O-])CC1	ZINC000738525134	604765426	/nfs/dbraw/zinc/76/54/26/604765426.db2.gz	DFPDVLPKACSYHE-UHFFFAOYSA-N	-1	0	391.384	0.355	20	5		GCBDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000833740119	604962515	/nfs/dbraw/zinc/96/25/15/604962515.db2.gz	CLLAZFSERCQGND-QMMMGPOBSA-N	-1	0	383.313	0.894	20	5		GCBDRM
CC(=O)NCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000833396808	605390566	/nfs/dbraw/zinc/39/05/66/605390566.db2.gz	QNRPWMCCEINXBV-UHFFFAOYSA-N	-1	0	385.398	0.830	20	5		GCBDRM
C[C@@](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])(C(N)=O)c1ccccc1	ZINC000833522939	605394556	/nfs/dbraw/zinc/39/45/56/605394556.db2.gz	HJCJHOFNEOYRAY-INIZCTEOSA-N	-1	0	393.377	0.972	20	5		GCBDRM
COCCN(CC(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833723691	605395789	/nfs/dbraw/zinc/39/57/89/605395789.db2.gz	RQDKQHAWSFODBC-UHFFFAOYSA-N	-1	0	376.343	0.103	20	5		GCBDRM
C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833589592	605396341	/nfs/dbraw/zinc/39/63/41/605396341.db2.gz	WRCKZMOYZVCMBY-BDAKNGLRSA-N	-1	0	392.411	0.489	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCS1(=O)=O	ZINC000833631482	605398060	/nfs/dbraw/zinc/39/80/60/605398060.db2.gz	PCNOTRONKYVGOV-QMMMGPOBSA-N	-1	0	378.384	0.101	20	5		GCBDRM
CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1=O	ZINC000833500812	605398963	/nfs/dbraw/zinc/39/89/63/605398963.db2.gz	NUJBXLDIQVXBSD-JTQLQIEISA-N	-1	0	385.354	0.107	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000281277510	605406133	/nfs/dbraw/zinc/40/61/33/605406133.db2.gz	DBCFRMGYGAHPRK-JTQLQIEISA-N	-1	0	395.397	0.945	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C(=O)[O-])C1	ZINC000833708901	605647165	/nfs/dbraw/zinc/64/71/65/605647165.db2.gz	KJWFDYUFYOMDMK-ZANVPECISA-N	-1	0	384.316	0.978	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C(=O)[O-])C1	ZINC000833708900	605647268	/nfs/dbraw/zinc/64/72/68/605647268.db2.gz	KJWFDYUFYOMDMK-TVQRCGJNSA-N	-1	0	384.316	0.978	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000833711322	605773299	/nfs/dbraw/zinc/77/32/99/605773299.db2.gz	WDMDROCBCUJCFM-DGCLKSJQSA-N	-1	0	394.336	0.651	20	5		GCBDRM
Cc1ccc([C@@H](C)Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-]	ZINC000822228983	606427972	/nfs/dbraw/zinc/42/79/72/606427972.db2.gz	KBMMBRXBHMEZKO-SECBINFHSA-N	-1	0	386.372	0.654	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cc1C	ZINC000822212682	606711489	/nfs/dbraw/zinc/71/14/89/606711489.db2.gz	BRVITTVUAXIJII-UHFFFAOYSA-N	-1	0	378.374	0.926	20	5		GCBDRM
CC(C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000820131199	606730837	/nfs/dbraw/zinc/73/08/37/606730837.db2.gz	ALNJQSOGWCJPMD-UHFFFAOYSA-N	-1	0	381.418	0.490	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1-c1nnn[n-]1	ZINC000823648602	606731998	/nfs/dbraw/zinc/73/19/98/606731998.db2.gz	YHJIEFDGUOOJTK-UHFFFAOYSA-N	-1	0	396.385	0.303	20	5		GCBDRM
CCN(CCC(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821206828	606732604	/nfs/dbraw/zinc/73/26/04/606732604.db2.gz	FYPUSHAQJITGSB-UHFFFAOYSA-N	-1	0	384.374	0.349	20	5		GCBDRM
CCO[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000821367258	606733135	/nfs/dbraw/zinc/73/31/35/606733135.db2.gz	DXICTCXZOLZDDT-SNVBAGLBSA-N	-1	0	382.402	0.965	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826450435	607776880	/nfs/dbraw/zinc/77/68/80/607776880.db2.gz	MGLFKNZJVNAQSS-UHFFFAOYSA-N	-1	0	397.760	0.875	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)[nH]2)ccc1[N+](=O)[O-]	ZINC000826272317	607778551	/nfs/dbraw/zinc/77/85/51/607778551.db2.gz	DHOLWCQZYCTTOW-UHFFFAOYSA-N	-1	0	377.342	0.530	20	5		GCBDRM
Cn1c(=O)c(-c2nnn[n-]2)c(SCc2ccc([N+](=O)[O-])cc2)n(C)c1=O	ZINC000826356455	607820913	/nfs/dbraw/zinc/82/09/13/607820913.db2.gz	RPEUXAYEBYGIIM-UHFFFAOYSA-N	-1	0	375.370	0.465	20	5		GCBDRM
CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825908398	607853735	/nfs/dbraw/zinc/85/37/35/607853735.db2.gz	HHUJUTZSOVZEOA-KOLCDFICSA-N	-1	0	382.402	0.556	20	5		GCBDRM
C[C@H]1[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCN1C	ZINC000824857112	608156397	/nfs/dbraw/zinc/15/63/97/608156397.db2.gz	AZYJCZYISVBZHK-UWVGGRQHSA-N	-1	0	381.418	0.488	20	5		GCBDRM
C[C@@H]1[C@H](C)N(C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824857113	608156720	/nfs/dbraw/zinc/15/67/20/608156720.db2.gz	AZYJCZYISVBZHK-VHSXEESVSA-N	-1	0	381.418	0.488	20	5		GCBDRM
CCN1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@H]1C	ZINC000825453239	608238485	/nfs/dbraw/zinc/23/84/85/608238485.db2.gz	UQOQEYCBULIOGH-MNOVXSKESA-N	-1	0	395.445	0.878	20	5		GCBDRM
CC(C)(CCCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824152957	608250584	/nfs/dbraw/zinc/25/05/84/608250584.db2.gz	VTCYLXWUGTWNHI-UHFFFAOYSA-N	-1	0	384.418	0.852	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1	ZINC000826357722	608267451	/nfs/dbraw/zinc/26/74/51/608267451.db2.gz	OQCQPKSGMYBIQA-UHFFFAOYSA-N	-1	0	378.374	0.493	20	5		GCBDRM
CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000825934178	608555160	/nfs/dbraw/zinc/55/51/60/608555160.db2.gz	KOBKPBYEUKQYLE-UHFFFAOYSA-N	-1	0	387.360	0.491	20	5		GCBDRM
C[C@H](O)CC(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824688463	608566217	/nfs/dbraw/zinc/56/62/17/608566217.db2.gz	IFJAGZJUMITJCV-VIFPVBQESA-N	-1	0	384.418	0.850	20	5		GCBDRM
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1	ZINC000826470228	609150887	/nfs/dbraw/zinc/15/08/87/609150887.db2.gz	ISLBHEDRPWVVCL-UHFFFAOYSA-N	-1	0	396.367	0.838	20	5		GCBDRM
Cc1nn(C[C@H](O)COc2ccccc2[N+](=O)[O-])c(=O)c(-c2nnn[n-]2)c1C	ZINC000826334529	609490971	/nfs/dbraw/zinc/49/09/71/609490971.db2.gz	YSXAJCXVXZEUQL-NSHDSACASA-N	-1	0	387.356	0.388	20	5		GCBDRM
CCOCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Br	ZINC000747791345	638686484	/nfs/dbraw/zinc/68/64/84/638686484.db2.gz	DZAPLELBQPUGLY-UHFFFAOYSA-N	-1	0	382.192	0.781	20	5		GCBDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-]	ZINC000732521009	639810624	/nfs/dbraw/zinc/81/06/24/639810624.db2.gz	JFDCKBNTBSKBPZ-UHFFFAOYSA-N	-1	0	384.313	0.911	20	5		GCBDRM
CCS(=O)(=O)[N-]C(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000732606630	639811891	/nfs/dbraw/zinc/81/18/91/639811891.db2.gz	OHWSWUPTABKKFU-MRVPVSSYSA-N	-1	0	379.416	0.505	20	5		GCBDRM
CCS(=O)(=O)[N-]C(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000732606753	639811899	/nfs/dbraw/zinc/81/18/99/639811899.db2.gz	ARNGLXWEQSMMFX-GFCCVEGCSA-N	-1	0	389.455	0.912	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000732608673	639812061	/nfs/dbraw/zinc/81/20/61/639812061.db2.gz	OYAZQKRFCUVVGM-UHFFFAOYSA-N	-1	0	390.175	0.454	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000732615552	639812372	/nfs/dbraw/zinc/81/23/72/639812372.db2.gz	JBGPWTHEJTXLCB-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
O=C(CSc1nnnn1C1CC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000916753463	639833862	/nfs/dbraw/zinc/83/38/62/639833862.db2.gz	HRQQDQIZSJKCII-UHFFFAOYSA-N	-1	0	384.399	0.513	20	5		GCBDRM
O=C(C[C@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000916755230	639834329	/nfs/dbraw/zinc/83/43/29/639834329.db2.gz	SLEFRSIBJUNKTC-MRVPVSSYSA-N	-1	0	396.830	0.878	20	5		GCBDRM
O=[N+]([O-])c1cc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1[O-]	ZINC000917877955	639860109	/nfs/dbraw/zinc/86/01/09/639860109.db2.gz	OTELABIDXWBEGH-SNVBAGLBSA-N	-1	0	376.412	0.641	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000920099904	639915563	/nfs/dbraw/zinc/91/55/63/639915563.db2.gz	ULBOEDNMXPHVRM-SNVBAGLBSA-N	-1	0	391.427	0.071	20	5		GCBDRM
NC(=O)NCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000920333485	639920394	/nfs/dbraw/zinc/92/03/94/639920394.db2.gz	NECYHKQJXHDJLS-UHFFFAOYSA-N	-1	0	378.794	0.892	20	5		GCBDRM
O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000920332083	639920529	/nfs/dbraw/zinc/92/05/29/639920529.db2.gz	UJKBVXHZQUHLNB-UHFFFAOYSA-N	-1	0	389.773	0.592	20	5		GCBDRM
COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000921234654	639933216	/nfs/dbraw/zinc/93/32/16/639933216.db2.gz	PRQDVEYNSWNUJX-JTQLQIEISA-N	-1	0	394.427	0.125	20	5		GCBDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000733713845	639983318	/nfs/dbraw/zinc/98/33/18/639983318.db2.gz	JOIWWORTHCWNLC-QMMMGPOBSA-N	-1	0	380.400	0.093	20	5		GCBDRM
CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CS(C)(=O)=O	ZINC000839076488	640203098	/nfs/dbraw/zinc/20/30/98/640203098.db2.gz	HOXUUKHNKDFFEX-UHFFFAOYSA-N	-1	0	393.443	0.656	20	5		GCBDRM
CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1	ZINC000741202175	640222730	/nfs/dbraw/zinc/22/27/30/640222730.db2.gz	WPLMDLWMINALSE-UHFFFAOYSA-N	-1	0	392.390	0.776	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[N-]S(=O)(=O)C(C)C	ZINC000743496175	640255579	/nfs/dbraw/zinc/25/55/79/640255579.db2.gz	WFKYIPOYRBNBMO-VIFPVBQESA-N	-1	0	393.443	0.894	20	5		GCBDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1Cl	ZINC000746435391	640294173	/nfs/dbraw/zinc/29/41/73/640294173.db2.gz	UOVGNQDFHHHXBQ-UHFFFAOYSA-N	-1	0	388.745	0.829	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000747101914	640303442	/nfs/dbraw/zinc/30/34/42/640303442.db2.gz	OZTKRUJPVVSBKR-UHFFFAOYSA-N	-1	0	376.412	0.615	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1	ZINC000750757368	640366951	/nfs/dbraw/zinc/36/69/51/640366951.db2.gz	JMHMFMFBSBPWIZ-UHFFFAOYSA-N	-1	0	385.379	0.512	20	5		GCBDRM
CS(=O)(=O)Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)o1	ZINC000750757747	640367290	/nfs/dbraw/zinc/36/72/90/640367290.db2.gz	SLISIIVTRUXETQ-UHFFFAOYSA-N	-1	0	389.367	0.246	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)cc([N+](=O)[O-])c1	ZINC000755115417	640464794	/nfs/dbraw/zinc/46/47/94/640464794.db2.gz	IBGWNXIFYKUZRQ-UHFFFAOYSA-N	-1	0	376.412	0.858	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2	ZINC000756182864	640485054	/nfs/dbraw/zinc/48/50/54/640485054.db2.gz	ROAHWPMXDQSTMN-UHFFFAOYSA-N	-1	0	387.761	0.280	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cc([N+](=O)[O-])c1	ZINC000762131127	640601096	/nfs/dbraw/zinc/60/10/96/640601096.db2.gz	IATHTHPMJHHQCX-VIFPVBQESA-N	-1	0	392.411	0.094	20	5		GCBDRM
NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000763196440	640622258	/nfs/dbraw/zinc/62/22/58/640622258.db2.gz	DIXBVKLXVMBCQG-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768865996	640763255	/nfs/dbraw/zinc/76/32/55/640763255.db2.gz	OTMCQJHVTOGVKN-UHFFFAOYSA-N	-1	0	384.395	0.672	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CN(C)[C@H]2CCSC2)c([N+](=O)[O-])c1	ZINC000773942811	640872444	/nfs/dbraw/zinc/87/24/44/640872444.db2.gz	HBCUZAXTRTWYOS-JTQLQIEISA-N	-1	0	389.455	0.846	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCSC1	ZINC000773987572	640873447	/nfs/dbraw/zinc/87/34/47/640873447.db2.gz	MAGMCASDUAKACV-JTQLQIEISA-N	-1	0	377.419	0.976	20	5		GCBDRM
COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)c1[N+](=O)[O-]	ZINC000774086202	640876557	/nfs/dbraw/zinc/87/65/57/640876557.db2.gz	WHAVFEIQVNWKCU-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)C1=O	ZINC000774101786	640877728	/nfs/dbraw/zinc/87/77/28/640877728.db2.gz	IECISFRIGIQZML-ZCFIWIBFSA-N	-1	0	376.778	0.114	20	5		GCBDRM
O=C(CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1n[nH]c(=O)[n-]1	ZINC000774900503	640899095	/nfs/dbraw/zinc/89/90/95/640899095.db2.gz	FHKBTICIDKGZGC-UHFFFAOYSA-N	-1	0	391.749	0.094	20	5		GCBDRM
O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776458346	641096765	/nfs/dbraw/zinc/09/67/65/641096765.db2.gz	KOSWGHRYRCVSRK-QMMMGPOBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Br	ZINC000776525830	641099746	/nfs/dbraw/zinc/09/97/46/641099746.db2.gz	KOAJFXAKRPVUNW-YFKPBYRVSA-N	-1	0	382.192	0.779	20	5		GCBDRM
O=C([O-])COCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000776586749	641104451	/nfs/dbraw/zinc/10/44/51/641104451.db2.gz	GMYQGRYBFLRQJB-UHFFFAOYSA-N	-1	0	383.176	0.737	20	5		GCBDRM
COC[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000776627380	641108332	/nfs/dbraw/zinc/10/83/32/641108332.db2.gz	UHQPEXVTYBMISZ-MRVPVSSYSA-N	-1	0	383.176	0.735	20	5		GCBDRM
C[C@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000861326807	641148230	/nfs/dbraw/zinc/14/82/30/641148230.db2.gz	OVWQPGXTHYXFMM-QMMMGPOBSA-N	-1	0	375.407	0.074	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000778910128	641174945	/nfs/dbraw/zinc/17/49/45/641174945.db2.gz	XARDTXKJQXDPLD-UHFFFAOYSA-N	-1	0	378.317	0.148	20	5		GCBDRM
CCOCCS(=O)(=O)[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000781803133	641237622	/nfs/dbraw/zinc/23/76/22/641237622.db2.gz	XWICIOPKOXXHTG-UHFFFAOYSA-N	-1	0	375.359	0.918	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000784866645	641295857	/nfs/dbraw/zinc/29/58/57/641295857.db2.gz	GWGTVCRBQFIYMQ-UHFFFAOYSA-N	-1	0	385.445	0.133	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O	ZINC000791776374	641436800	/nfs/dbraw/zinc/43/68/00/641436800.db2.gz	NWCDJRGXRLWBIM-GFCCVEGCSA-N	-1	0	376.412	0.675	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O	ZINC000791776381	641436912	/nfs/dbraw/zinc/43/69/12/641436912.db2.gz	NWCDJRGXRLWBIM-LBPRGKRZSA-N	-1	0	376.412	0.675	20	5		GCBDRM
O=C(CCOCC(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000791795261	641437513	/nfs/dbraw/zinc/43/75/13/641437513.db2.gz	OYHRRYOLGLZEBB-UHFFFAOYSA-N	-1	0	383.285	0.980	20	5		GCBDRM
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCS1(=O)=O	ZINC000791828018	641438646	/nfs/dbraw/zinc/43/86/46/641438646.db2.gz	TZRHULYTRZVBGA-ZDUSSCGKSA-N	-1	0	390.439	0.551	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1	ZINC000791838331	641439277	/nfs/dbraw/zinc/43/92/77/641439277.db2.gz	XBALOHYGOCOFOF-UHFFFAOYSA-N	-1	0	376.387	0.634	20	5		GCBDRM
O=C(CC1OCCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000793143170	641464504	/nfs/dbraw/zinc/46/45/04/641464504.db2.gz	UEOFRRMOFPHJDD-UHFFFAOYSA-N	-1	0	375.315	0.461	20	5		GCBDRM
CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000796708609	641546376	/nfs/dbraw/zinc/54/63/76/641546376.db2.gz	UPPCXBOXSKQDOY-UHFFFAOYSA-N	-1	0	378.794	0.681	20	5		GCBDRM
CN(CC(=O)NCc1n[nH]c(=O)[n-]1)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000796902314	641551695	/nfs/dbraw/zinc/55/16/95/641551695.db2.gz	AYZLDVMLDJUFJN-UHFFFAOYSA-N	-1	0	385.178	0.934	20	5		GCBDRM
Cc1c(CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)cnn1C	ZINC000796909714	641551715	/nfs/dbraw/zinc/55/17/15/641551715.db2.gz	GYJISARWRCBERO-UHFFFAOYSA-N	-1	0	387.805	0.920	20	5		GCBDRM
O=C(CC1OCCO1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000797070296	641556343	/nfs/dbraw/zinc/55/63/43/641556343.db2.gz	OMHNQBUSLFYGER-UHFFFAOYSA-N	-1	0	395.187	0.925	20	5		GCBDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000797296009	641564555	/nfs/dbraw/zinc/56/45/55/641564555.db2.gz	VLIZVKJDCXHRBM-ZCFIWIBFSA-N	-1	0	382.297	0.817	20	5		GCBDRM
Cc1c(NC(=O)C(=O)[N-]OCC(N)=O)cc(Br)cc1[N+](=O)[O-]	ZINC000797540088	641570830	/nfs/dbraw/zinc/57/08/30/641570830.db2.gz	NZJBTPNVOYWFCA-UHFFFAOYSA-N	-1	0	375.135	0.137	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1COCCN1CC(F)F	ZINC000798812111	641593854	/nfs/dbraw/zinc/59/38/54/641593854.db2.gz	ODBZZVUTFHNEAE-SNVBAGLBSA-N	-1	0	379.341	0.366	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)nn1	ZINC000808987016	641698211	/nfs/dbraw/zinc/69/82/11/641698211.db2.gz	DPKZJGWQYRTTDR-UHFFFAOYSA-N	-1	0	390.175	0.605	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)nn1	ZINC000808993770	641698261	/nfs/dbraw/zinc/69/82/61/641698261.db2.gz	VIKBESARGWYOKF-UHFFFAOYSA-N	-1	0	390.175	0.605	20	5		GCBDRM
NC(=O)c1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)on1	ZINC000809826233	641713403	/nfs/dbraw/zinc/71/34/03/641713403.db2.gz	WRBAXDDFMREGKN-UHFFFAOYSA-N	-1	0	378.725	0.953	20	5		GCBDRM
NS(=O)(=O)CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000815062478	641819201	/nfs/dbraw/zinc/81/92/01/641819201.db2.gz	VYEZSPIFUHZIPQ-UHFFFAOYSA-N	-1	0	389.814	0.734	20	5		GCBDRM
Cn1cnnc1COCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000815892759	641835825	/nfs/dbraw/zinc/83/58/25/641835825.db2.gz	BNPLDIOKYZMUMQ-UHFFFAOYSA-N	-1	0	389.777	0.398	20	5		GCBDRM
O=C(C[C@@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000815896587	641836268	/nfs/dbraw/zinc/83/62/68/641836268.db2.gz	LNVAHJDJKMDLIK-LBPRGKRZSA-N	-1	0	390.439	0.756	20	5		GCBDRM
O=C(C[C@@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000815915871	641836293	/nfs/dbraw/zinc/83/62/93/641836293.db2.gz	CMNTZBDWTUZEBX-VIFPVBQESA-N	-1	0	394.402	0.754	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000817874691	641890898	/nfs/dbraw/zinc/89/08/98/641890898.db2.gz	MHWXGKGCNHRZNF-LLVKDONJSA-N	-1	0	391.789	0.370	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)cc1[N+](=O)[O-]	ZINC000802031620	642142109	/nfs/dbraw/zinc/14/21/09/642142109.db2.gz	JQXWYNKSKMTPAD-UHFFFAOYSA-N	-1	0	385.379	0.512	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cc1[N+](=O)[O-]	ZINC000802095541	642143263	/nfs/dbraw/zinc/14/32/63/642143263.db2.gz	IXBLTRUFDHOHEL-UHFFFAOYSA-N	-1	0	390.317	0.620	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000802122061	642144074	/nfs/dbraw/zinc/14/40/74/642144074.db2.gz	AGRMTUGZILKXFC-SECBINFHSA-N	-1	0	392.411	0.094	20	5		GCBDRM
Cc1ncsc1CCS(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000803021022	642167378	/nfs/dbraw/zinc/16/73/78/642167378.db2.gz	KEMIPGDAZIDLHF-UHFFFAOYSA-N	-1	0	387.443	0.943	20	5		GCBDRM
COC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837297568	642271737	/nfs/dbraw/zinc/27/17/37/642271737.db2.gz	SBLCDVUFAIJDGU-SSDOTTSWSA-N	-1	0	384.725	0.682	20	5		GCBDRM
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)S1(=O)=O	ZINC000842673356	642342552	/nfs/dbraw/zinc/34/25/52/642342552.db2.gz	KHROYKKEDOXJSV-JTQLQIEISA-N	-1	0	397.818	0.087	20	5		GCBDRM
CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000845476885	642442500	/nfs/dbraw/zinc/44/25/00/642442500.db2.gz	KWBFSEKWNRWIRB-UHFFFAOYSA-N	-1	0	392.821	0.798	20	5		GCBDRM
Cn1cc(CCC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)nn1	ZINC000850860065	642700071	/nfs/dbraw/zinc/70/00/71/642700071.db2.gz	XWZBVQUXZHBSDO-UHFFFAOYSA-N	-1	0	388.793	0.397	20	5		GCBDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000850895663	642701328	/nfs/dbraw/zinc/70/13/28/642701328.db2.gz	UWBLRYSTKPUXRK-SNVBAGLBSA-N	-1	0	397.203	0.824	20	5		GCBDRM
CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](COC)OC	ZINC000851084275	642706982	/nfs/dbraw/zinc/70/69/82/642706982.db2.gz	QVLDFXHQLBDOCY-LBPRGKRZSA-N	-1	0	375.403	0.883	20	5		GCBDRM
O=C([N-]S(=O)(=O)CC(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000851359804	642718041	/nfs/dbraw/zinc/71/80/41/642718041.db2.gz	BDDJIDWUJSIDPD-UHFFFAOYSA-N	-1	0	379.341	0.756	20	5		GCBDRM
COc1cc(CS(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)sn1	ZINC000851436134	642721495	/nfs/dbraw/zinc/72/14/95/642721495.db2.gz	QRMYSUOXQCFASC-UHFFFAOYSA-N	-1	0	375.388	0.293	20	5		GCBDRM
COCC(COC)S(=O)(=O)[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000851503479	642725849	/nfs/dbraw/zinc/72/58/49/642725849.db2.gz	YXHSMDJPUNVIHH-UHFFFAOYSA-N	-1	0	376.343	0.045	20	5		GCBDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)OC	ZINC000853206465	642790679	/nfs/dbraw/zinc/79/06/79/642790679.db2.gz	QDQCTHVONGYLRU-VIFPVBQESA-N	-1	0	376.343	0.045	20	5		GCBDRM
C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)NC(=O)OC(C)(C)C	ZINC000859176495	642984525	/nfs/dbraw/zinc/98/45/25/642984525.db2.gz	VTNXPVJUNGPNGV-DTWKUNHWSA-N	-1	0	377.423	0.908	20	5		GCBDRM
CC[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000859176927	642985227	/nfs/dbraw/zinc/98/52/27/642985227.db2.gz	YHGKUTUUUDBZCU-SECBINFHSA-N	-1	0	377.423	0.910	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1	ZINC000860505479	643034531	/nfs/dbraw/zinc/03/45/31/643034531.db2.gz	VZUSMIRAFWLJCR-ZJUUUORDSA-N	-1	0	392.773	0.774	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000569211905	1192369158	/nfs/dbraw/zinc/36/91/58/1192369158.db2.gz	UAUYDJVRKWNSNX-VXGBXAGGSA-N	-1	0	379.369	0.659	20	5		GCBDRM
C[C@H]1[C@H](Nc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C(=O)N1S(=O)(=O)[O-]	ZINC001167859978	1192509006	/nfs/dbraw/zinc/50/90/06/1192509006.db2.gz	XMSAAQMQLWXKRT-UFBFGSQYSA-N	-1	0	395.353	0.991	20	5		GCBDRM
CC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000573493652	1192903685	/nfs/dbraw/zinc/90/36/85/1192903685.db2.gz	AUKFDHZSMVCOIE-LLVKDONJSA-N	-1	0	385.398	0.830	20	5		GCBDRM
CNS(=O)(=O)c1ccc(N2CCC[C@](COC)(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000573566857	1192905962	/nfs/dbraw/zinc/90/59/62/1192905962.db2.gz	GECBVQUIDIYVAT-HNNXBMFYSA-N	-1	0	387.414	0.821	20	5		GCBDRM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1	ZINC000274703735	1184204557	/nfs/dbraw/zinc/20/45/57/1184204557.db2.gz	RDYJTKFDVWKRHV-UHFFFAOYSA-N	-1	0	396.381	0.576	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc1C	ZINC000274962490	1184440834	/nfs/dbraw/zinc/44/08/34/1184440834.db2.gz	BOEBNCAKBKLETO-JQWIXIFHSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc([N+](=O)[O-])c1F	ZINC000274964151	1184443790	/nfs/dbraw/zinc/44/37/90/1184443790.db2.gz	BQSNWKGKDZBNJW-LDYMZIIASA-N	-1	0	389.361	0.382	20	5		GCBDRM
CCC(=O)C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000275017407	1184456465	/nfs/dbraw/zinc/45/64/65/1184456465.db2.gz	OEYOPPDOXAJXFW-SECBINFHSA-N	-1	0	388.354	0.467	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(N)=O	ZINC000275078305	1184499044	/nfs/dbraw/zinc/49/90/44/1184499044.db2.gz	IFTLCKLKKMTNGM-JQWIXIFHSA-N	-1	0	385.398	0.496	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000275149470	1184535191	/nfs/dbraw/zinc/53/51/91/1184535191.db2.gz	RJCXYHOYXOKNFX-NEPJUHHUSA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cn1cc(C[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000275200267	1184549886	/nfs/dbraw/zinc/54/98/86/1184549886.db2.gz	GPEUKBGVMIXALZ-ZDUSSCGKSA-N	-1	0	382.398	0.486	20	5		GCBDRM
Cn1cc(C[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000275200264	1184549973	/nfs/dbraw/zinc/54/99/73/1184549973.db2.gz	GPEUKBGVMIXALZ-CYBMUJFWSA-N	-1	0	382.398	0.486	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1C	ZINC000275206363	1184552639	/nfs/dbraw/zinc/55/26/39/1184552639.db2.gz	ZIZKNGXAJZHPFJ-JQWIXIFHSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000275326667	1184607651	/nfs/dbraw/zinc/60/76/51/1184607651.db2.gz	TVSURHBQTGVFCE-NSHDSACASA-N	-1	0	386.361	0.750	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000275326662	1184607816	/nfs/dbraw/zinc/60/78/16/1184607816.db2.gz	TVSURHBQTGVFCE-LLVKDONJSA-N	-1	0	386.361	0.750	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-]	ZINC000275542282	1184702968	/nfs/dbraw/zinc/70/29/68/1184702968.db2.gz	DBGFKTBQGZJNAY-AWEZNQCLSA-N	-1	0	390.370	0.133	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2c(C)nn(C)c2C)c([N+](=O)[O-])n1	ZINC000547874131	1184730033	/nfs/dbraw/zinc/73/00/33/1184730033.db2.gz	PCLDIJRNKDNMAX-LLVKDONJSA-N	-1	0	386.390	0.266	20	5		GCBDRM
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1	ZINC000748116170	1184762906	/nfs/dbraw/zinc/76/29/06/1184762906.db2.gz	YVCPTJZWIPDXOK-DJWKRKHSSA-N	-1	0	381.326	0.755	20	5		GCBDRM
CC(=O)NCCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)C(=O)[O-]	ZINC000510281712	1184766737	/nfs/dbraw/zinc/76/67/37/1184766737.db2.gz	YEEGHFTZHKUHJG-JTQLQIEISA-N	-1	0	395.368	0.346	20	5		GCBDRM
Cc1cc(=O)c(C(=O)NC[C@@](C)(O)C(=O)[O-])nn1-c1ccccc1[N+](=O)[O-]	ZINC000471471137	1184910430	/nfs/dbraw/zinc/91/04/30/1184910430.db2.gz	MDSLPURJBGDGMY-MRXNPFEDSA-N	-1	0	376.325	0.015	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000471480328	1184929229	/nfs/dbraw/zinc/92/92/29/1184929229.db2.gz	MUWVSQPFUSDDBO-CQSZACIVSA-N	-1	0	381.370	0.440	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000548213808	1185887991	/nfs/dbraw/zinc/88/79/91/1185887991.db2.gz	KPDLDGRCOVHHIT-GFCCVEGCSA-N	-1	0	382.398	0.859	20	5		GCBDRM
Cc1cc(C)n(C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000548213929	1185888086	/nfs/dbraw/zinc/88/80/86/1185888086.db2.gz	DWWCBJRWOMOCMF-CQSZACIVSA-N	-1	0	382.398	0.981	20	5		GCBDRM
O=C([O-])CCN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000610844532	1186244771	/nfs/dbraw/zinc/24/47/71/1186244771.db2.gz	WCYNARWXGCGMSJ-UHFFFAOYSA-N	-1	0	385.398	0.729	20	5		GCBDRM
COc1cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])ccc1OCCO	ZINC000611015356	1186281566	/nfs/dbraw/zinc/28/15/66/1186281566.db2.gz	FHCAXRPOJWQUFL-UHFFFAOYSA-N	-1	0	383.382	0.848	20	5		GCBDRM
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548542237	1186308736	/nfs/dbraw/zinc/30/87/36/1186308736.db2.gz	LVAOLCJWKSKASW-NSHDSACASA-N	-1	0	387.370	0.977	20	5		GCBDRM
NC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1	ZINC000548543429	1186309665	/nfs/dbraw/zinc/30/96/65/1186309665.db2.gz	OCJHTWZNHBZGBJ-CQSZACIVSA-N	-1	0	393.377	0.668	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277280468	1186314675	/nfs/dbraw/zinc/31/46/75/1186314675.db2.gz	PSLGZVWRIGKPTG-LBPRGKRZSA-N	-1	0	382.398	0.919	20	5		GCBDRM
C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1	ZINC000263172387	1186358685	/nfs/dbraw/zinc/35/86/85/1186358685.db2.gz	YVGWEQMYRLRWKD-FZMZJTMJSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1	ZINC000263391327	1186391774	/nfs/dbraw/zinc/39/17/74/1186391774.db2.gz	YSVDNOBSJYAJFM-DGCLKSJQSA-N	-1	0	378.385	0.963	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c([N+](=O)[O-])c1	ZINC000582244443	1186473848	/nfs/dbraw/zinc/47/38/48/1186473848.db2.gz	BEEAGOBNFVXLJR-LLVKDONJSA-N	-1	0	383.382	0.725	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c([N+](=O)[O-])c1	ZINC000582244444	1186473896	/nfs/dbraw/zinc/47/38/96/1186473896.db2.gz	BEEAGOBNFVXLJR-NSHDSACASA-N	-1	0	383.382	0.725	20	5		GCBDRM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1	ZINC000277551785	1186498793	/nfs/dbraw/zinc/49/87/93/1186498793.db2.gz	RAKKPPPINSXIGL-UHFFFAOYSA-N	-1	0	381.370	0.170	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCn2cnnc2[C@H]1C	ZINC000478579433	1186521961	/nfs/dbraw/zinc/52/19/61/1186521961.db2.gz	LJOUSZGWLMSCOC-SECBINFHSA-N	-1	0	381.370	0.958	20	5		GCBDRM
NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000511117541	1186524900	/nfs/dbraw/zinc/52/49/00/1186524900.db2.gz	YMJZQRPDMNGASH-UHFFFAOYSA-N	-1	0	378.366	0.611	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000277614378	1186537795	/nfs/dbraw/zinc/53/77/95/1186537795.db2.gz	LYCKJJFXTVUKMK-UHFFFAOYSA-N	-1	0	384.414	0.391	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000582847869	1186710887	/nfs/dbraw/zinc/71/08/87/1186710887.db2.gz	ARXLDKGTANUMLB-IAQYHMDHSA-N	-1	0	386.382	0.909	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1	ZINC000781754859	1186767751	/nfs/dbraw/zinc/76/77/51/1186767751.db2.gz	KPZPAQOYTPJLII-UHFFFAOYSA-N	-1	0	383.342	0.674	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	ZINC000583118781	1186774767	/nfs/dbraw/zinc/77/47/67/1186774767.db2.gz	YXYBCIHQBPBJHQ-QMTHXVAHSA-N	-1	0	393.352	0.763	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000583206558	1186795439	/nfs/dbraw/zinc/79/54/39/1186795439.db2.gz	JWWJBSOELXHMFU-LBPRGKRZSA-N	-1	0	399.425	0.778	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)c([N+](=O)[O-])n1	ZINC000535989877	1186819951	/nfs/dbraw/zinc/81/99/51/1186819951.db2.gz	IOAIIQSYQYCDPC-SNVBAGLBSA-N	-1	0	397.413	0.723	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)c([N+](=O)[O-])n1	ZINC000535989873	1186820037	/nfs/dbraw/zinc/82/00/37/1186820037.db2.gz	IOAIIQSYQYCDPC-JTQLQIEISA-N	-1	0	397.413	0.723	20	5		GCBDRM
CCc1cc(=O)n2[n-]c(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2n1	ZINC000583404438	1186847477	/nfs/dbraw/zinc/84/74/77/1186847477.db2.gz	UBQIEXWYHVPORM-UHFFFAOYSA-N	-1	0	378.370	0.997	20	5		GCBDRM
O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000052615433	1186946909	/nfs/dbraw/zinc/94/69/09/1186946909.db2.gz	QIMPULBDNPWSFV-UHFFFAOYSA-N	-1	0	397.351	0.289	20	5		GCBDRM
C[C@H]1OCCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C(=O)[O-]	ZINC000278659634	1187011480	/nfs/dbraw/zinc/01/14/80/1187011480.db2.gz	KHVLXEYQJUUQTE-OQPBUACISA-N	-1	0	388.354	0.229	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000584329035	1187032391	/nfs/dbraw/zinc/03/23/91/1187032391.db2.gz	YOYGPIWEPNCPAE-IAQYHMDHSA-N	-1	0	386.382	0.715	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000417445249	1189665962	/nfs/dbraw/zinc/66/59/62/1189665962.db2.gz	GHTLUWVDUHYNHF-TZMCWYRMSA-N	-1	0	399.425	0.724	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417446113	1189666478	/nfs/dbraw/zinc/66/64/78/1189666478.db2.gz	JQYXMYMMWQIWJS-DGCLKSJQSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417447270	1189667032	/nfs/dbraw/zinc/66/70/32/1189667032.db2.gz	OWASWBLVAZEATM-OCCSQVGLSA-N	-1	0	399.425	0.892	20	5		GCBDRM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000436910651	1193739143	/nfs/dbraw/zinc/73/91/43/1193739143.db2.gz	QTJPNDTZRXWXGW-UHFFFAOYSA-N	-1	0	392.393	0.842	20	5		GCBDRM
C[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C(=O)[O-])O1	ZINC000262142015	1193940504	/nfs/dbraw/zinc/94/05/04/1193940504.db2.gz	KBMBMQKMOJSHEA-LDYMZIIASA-N	-1	0	383.382	0.486	20	5		GCBDRM
COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1=O	ZINC000501157712	1194070753	/nfs/dbraw/zinc/07/07/53/1194070753.db2.gz	YHXCSGKWEKLNQC-JTQLQIEISA-N	-1	0	389.361	0.176	20	5		GCBDRM
O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C2	ZINC000420557594	1194240326	/nfs/dbraw/zinc/24/03/26/1194240326.db2.gz	LVLOBFZRGXCWRJ-SCLBCKFNSA-N	-1	0	375.381	0.967	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000420563282	1194241881	/nfs/dbraw/zinc/24/18/81/1194241881.db2.gz	PVNCSWVMUUQNGE-MRXNPFEDSA-N	-1	0	375.341	0.411	20	5		GCBDRM
CCOc1cc(N2CCN(C(=O)C(=O)NCCC(=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC000420603651	1194247203	/nfs/dbraw/zinc/24/72/03/1194247203.db2.gz	VNZNZSIDMKZVSO-UHFFFAOYSA-N	-1	0	394.384	0.233	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2CC2)C1	ZINC000421816036	1194367721	/nfs/dbraw/zinc/36/77/21/1194367721.db2.gz	OOVHTTUOLVNLRE-UHFFFAOYSA-N	-1	0	383.382	0.802	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c([N+](=O)[O-])c1	ZINC000422661013	1194680025	/nfs/dbraw/zinc/68/00/25/1194680025.db2.gz	GYHSVIXMMBXJTD-GFCCVEGCSA-N	-1	0	381.341	0.854	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000422674664	1194687250	/nfs/dbraw/zinc/68/72/50/1194687250.db2.gz	WTXSZFNZDYGYIW-JTQLQIEISA-N	-1	0	394.384	0.534	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000422719532	1194694074	/nfs/dbraw/zinc/69/40/74/1194694074.db2.gz	YMHFQKMKEAFQHA-GOSISDBHSA-N	-1	0	390.396	0.567	20	5		GCBDRM
C[C@H](CN(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(=O)[O-]	ZINC000422762846	1194698813	/nfs/dbraw/zinc/69/88/13/1194698813.db2.gz	MYOOZXSOLWTHMZ-GFCCVEGCSA-N	-1	0	378.385	0.423	20	5		GCBDRM
CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n1	ZINC000424216953	1194806666	/nfs/dbraw/zinc/80/66/66/1194806666.db2.gz	CCLBZDMQHKKIPA-UHFFFAOYSA-N	-1	0	385.358	0.559	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000424241571	1194807076	/nfs/dbraw/zinc/80/70/76/1194807076.db2.gz	LLBJDDKTISJRPQ-AWEZNQCLSA-N	-1	0	397.409	0.519	20	5		GCBDRM
C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-]	ZINC000424244174	1194807482	/nfs/dbraw/zinc/80/74/82/1194807482.db2.gz	JDQXGQCDXICHJA-YGRLFVJLSA-N	-1	0	385.398	0.585	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424270656	1194807881	/nfs/dbraw/zinc/80/78/81/1194807881.db2.gz	XXVQVXOMOWIKCN-SNVBAGLBSA-N	-1	0	396.299	0.937	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000424394936	1194810795	/nfs/dbraw/zinc/81/07/95/1194810795.db2.gz	USPWDKSIZMVNGL-JTQLQIEISA-N	-1	0	397.369	0.166	20	5		GCBDRM
COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424467105	1194813913	/nfs/dbraw/zinc/81/39/13/1194813913.db2.gz	HNYOUJVALWCHMI-CYBMUJFWSA-N	-1	0	381.366	0.840	20	5		GCBDRM
CC(C)C[C@@H](CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-]	ZINC000424511276	1194815453	/nfs/dbraw/zinc/81/54/53/1194815453.db2.gz	YSIQUWZKSJRYTD-JTQLQIEISA-N	-1	0	391.384	0.950	20	5		GCBDRM
CC(C)(CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-]	ZINC000424497364	1194818179	/nfs/dbraw/zinc/81/81/79/1194818179.db2.gz	IJZIQOCEHBGAFD-UHFFFAOYSA-N	-1	0	377.357	0.704	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C)C(=O)C1	ZINC000424593297	1194826392	/nfs/dbraw/zinc/82/63/92/1194826392.db2.gz	CVUSPHXEJVMVAS-JTQLQIEISA-N	-1	0	385.398	0.748	20	5		GCBDRM
COc1ccnc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1	ZINC000425179451	1194868185	/nfs/dbraw/zinc/86/81/85/1194868185.db2.gz	AZXHOTUVHPLUFZ-UHFFFAOYSA-N	-1	0	382.354	0.643	20	5		GCBDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000514938833	1194931144	/nfs/dbraw/zinc/93/11/44/1194931144.db2.gz	HPLMHPZRSDNQHW-AAEUAGOBSA-N	-1	0	399.425	0.915	20	5		GCBDRM
CN(C)S(=O)(=O)c1ccc(NCCn2cc(C(=O)[O-])nn2)c([N+](=O)[O-])c1	ZINC000514991915	1194935475	/nfs/dbraw/zinc/93/54/75/1194935475.db2.gz	QCMRSNGXCMDOJY-UHFFFAOYSA-N	-1	0	384.374	0.247	20	5		GCBDRM
O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436611122	1195019183	/nfs/dbraw/zinc/01/91/83/1195019183.db2.gz	YTIALKWLXRAQRW-UHFFFAOYSA-N	-1	0	380.378	0.996	20	5		GCBDRM
CCNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000516072682	1195019661	/nfs/dbraw/zinc/01/96/61/1195019661.db2.gz	BGYHNNHHLWIFTA-UHFFFAOYSA-N	-1	0	386.386	0.329	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436922302	1195047866	/nfs/dbraw/zinc/04/78/66/1195047866.db2.gz	MRDIAAMSAZAIGF-GFCCVEGCSA-N	-1	0	386.430	0.691	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436922587	1195047995	/nfs/dbraw/zinc/04/79/95/1195047995.db2.gz	OQFZYZYBZJGUIB-LLVKDONJSA-N	-1	0	386.430	0.691	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000516613888	1195076675	/nfs/dbraw/zinc/07/66/75/1195076675.db2.gz	ARMLESPAVNSEIZ-NSHDSACASA-N	-1	0	384.370	0.540	20	5		GCBDRM
O=c1nc2[nH]cc(S(=O)(=O)NCc3ccccc3[N+](=O)[O-])cc-2c(=O)[n-]1	ZINC000437225874	1195083739	/nfs/dbraw/zinc/08/37/39/1195083739.db2.gz	DZGLEQARKTVWGN-UHFFFAOYSA-N	-1	0	377.338	0.823	20	5		GCBDRM
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000506187163	1195193679	/nfs/dbraw/zinc/19/36/79/1195193679.db2.gz	CFRDJXPQOWUDRQ-ZDUSSCGKSA-N	-1	0	394.428	0.599	20	5		GCBDRM
COCc1nc(=NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)s[n-]1	ZINC000543173520	1195211582	/nfs/dbraw/zinc/21/15/82/1195211582.db2.gz	SPZWSCSUYMLJKV-MRVPVSSYSA-N	-1	0	381.370	0.851	20	5		GCBDRM
O=C([O-])Cn1cc(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)nn1	ZINC000439702744	1195343597	/nfs/dbraw/zinc/34/35/97/1195343597.db2.gz	FUTYEFWSTHBBAG-UHFFFAOYSA-N	-1	0	390.356	0.038	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000507351554	1195512957	/nfs/dbraw/zinc/51/29/57/1195512957.db2.gz	DUGQVCVEYGDHPU-KBPBESRZSA-N	-1	0	397.409	0.539	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(CC(=O)N3CCCCCC3)n2)n1	ZINC000427444431	1195538680	/nfs/dbraw/zinc/53/86/80/1195538680.db2.gz	PWVXGZQFASZULG-UHFFFAOYSA-N	-1	0	390.404	1.058	20	5		GCBDRM
O=C(NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])[nH]1	ZINC000438606172	1195801853	/nfs/dbraw/zinc/80/18/53/1195801853.db2.gz	QSXFOKIZILUAHL-UHFFFAOYSA-N	-1	0	399.351	0.514	20	5		GCBDRM
CC(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000428051793	1195907941	/nfs/dbraw/zinc/90/79/41/1195907941.db2.gz	DJJFSLXHVPIGEK-CYBMUJFWSA-N	-1	0	387.414	0.879	20	5		GCBDRM
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000438916947	1195974997	/nfs/dbraw/zinc/97/49/97/1195974997.db2.gz	HIKYXPWJYPDUGK-UHFFFAOYSA-N	-1	0	399.351	0.514	20	5		GCBDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000521838725	1196020448	/nfs/dbraw/zinc/02/04/48/1196020448.db2.gz	XBPZSDIIPAYSLK-NSHDSACASA-N	-1	0	388.354	0.482	20	5		GCBDRM
CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1OC	ZINC000439707967	1196355936	/nfs/dbraw/zinc/35/59/36/1196355936.db2.gz	NXJGPDSJECHAFM-UHFFFAOYSA-N	-1	0	379.329	0.608	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1OC	ZINC000262428624	1196378953	/nfs/dbraw/zinc/37/89/53/1196378953.db2.gz	DLWALVCPGJJHOZ-UHFFFAOYSA-N	-1	0	398.368	0.680	20	5		GCBDRM
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000508545779	1196597240	/nfs/dbraw/zinc/59/72/40/1196597240.db2.gz	QIQQTNIWEPNBNI-ZDUSSCGKSA-N	-1	0	394.428	0.599	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)cc1[N+](=O)[O-]	ZINC000530383171	1196982790	/nfs/dbraw/zinc/98/27/90/1196982790.db2.gz	QBKPLVFWHHBNRJ-CYBMUJFWSA-N	-1	0	384.370	0.750	20	5		GCBDRM
O=C([O-])C1(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1	ZINC000531751557	1197095811	/nfs/dbraw/zinc/09/58/11/1197095811.db2.gz	PTAOVXRDJCALGQ-UHFFFAOYSA-N	-1	0	385.398	0.634	20	5		GCBDRM
CC[C@@H](C)N(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262787408	1197162564	/nfs/dbraw/zinc/16/25/64/1197162564.db2.gz	QRNWOWJVMJFXIA-LLVKDONJSA-N	-1	0	387.414	0.975	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000170307530	1197252929	/nfs/dbraw/zinc/25/29/29/1197252929.db2.gz	WKBSNXIXHPJVKO-PWSUYJOCSA-N	-1	0	383.382	0.291	20	5		GCBDRM
O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1	ZINC000269690903	1197257660	/nfs/dbraw/zinc/25/76/60/1197257660.db2.gz	JBYDNMPWRBBQFE-LBPRGKRZSA-N	-1	0	397.413	0.958	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000263376133	1197262857	/nfs/dbraw/zinc/26/28/57/1197262857.db2.gz	WPIDNAMNEJIDJI-GHMZBOCLSA-N	-1	0	385.398	0.442	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)c([N+](=O)[O-])n1	ZINC000533787822	1197566375	/nfs/dbraw/zinc/56/63/75/1197566375.db2.gz	XHLUVKFWSNZSIX-UHFFFAOYSA-N	-1	0	382.402	0.899	20	5		GCBDRM
O=C(Cn1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1)N1CCOCC1	ZINC000273412506	1198988099	/nfs/dbraw/zinc/98/80/99/1198988099.db2.gz	IJYABYPKGYUSPF-UHFFFAOYSA-N	-1	0	375.341	0.608	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1	ZINC000273702531	1199061702	/nfs/dbraw/zinc/06/17/02/1199061702.db2.gz	JZJFCWQXIGQFKK-CYBMUJFWSA-N	-1	0	383.382	0.725	20	5		GCBDRM
COCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000273714899	1199062510	/nfs/dbraw/zinc/06/25/10/1199062510.db2.gz	PRIKVHZLKMLSDD-UHFFFAOYSA-N	-1	0	389.386	0.018	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1	ZINC000273792572	1199067738	/nfs/dbraw/zinc/06/77/38/1199067738.db2.gz	VLYLUSBHBJUQAX-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1[N+](=O)[O-]	ZINC000554798546	1199077574	/nfs/dbraw/zinc/07/75/74/1199077574.db2.gz	JAGSVKCWFCMXHK-JTQLQIEISA-N	-1	0	380.386	0.531	20	5		GCBDRM
COCCN1CN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1=O	ZINC000509047180	1199885818	/nfs/dbraw/zinc/88/58/18/1199885818.db2.gz	AFCSDKJHHSUYTK-UHFFFAOYSA-N	-1	0	387.370	0.038	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](O)COc2ccc3c(c2)OCO3)n1	ZINC000592970963	1200749157	/nfs/dbraw/zinc/74/91/57/1200749157.db2.gz	JPXGHJYAFUQATK-SNVBAGLBSA-N	-1	0	391.336	1.577	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])n1	ZINC000611107753	1201216466	/nfs/dbraw/zinc/21/64/66/1201216466.db2.gz	ICEGDSFLXVRKPL-QMMMGPOBSA-N	-1	0	399.351	0.643	20	5		GCBDRM
CCc1n[nH]c(=O)c(CNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1CC	ZINC000611107244	1201216731	/nfs/dbraw/zinc/21/67/31/1201216731.db2.gz	CVJFPWBWPKBNSR-UHFFFAOYSA-N	-1	0	384.418	0.910	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](C)c2nnnn2-c2ccccc2)c([N+](=O)[O-])n1	ZINC000611107584	1201216753	/nfs/dbraw/zinc/21/67/53/1201216753.db2.gz	TVGSRGUNABHREW-JTQLQIEISA-N	-1	0	392.401	0.826	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1[N+](=O)[O-]	ZINC000611215171	1201223807	/nfs/dbraw/zinc/22/38/07/1201223807.db2.gz	RQIIBZGIESYIKV-NSHDSACASA-N	-1	0	389.372	0.253	20	5		GCBDRM
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000729897715	1201417334	/nfs/dbraw/zinc/41/73/34/1201417334.db2.gz	YQVJMGQYSZSZRX-SECBINFHSA-N	-1	0	391.358	0.750	20	5		GCBDRM
C[C@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000730658033	1201460688	/nfs/dbraw/zinc/46/06/88/1201460688.db2.gz	VFRSNZXTCFZJAV-VIFPVBQESA-N	-1	0	386.324	0.550	20	5		GCBDRM
C[C@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000730658012	1201460718	/nfs/dbraw/zinc/46/07/18/1201460718.db2.gz	UQENEGUYMCHRIX-VIFPVBQESA-N	-1	0	386.324	0.550	20	5		GCBDRM
NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000731058800	1201470820	/nfs/dbraw/zinc/47/08/20/1201470820.db2.gz	SYEKIJKZFPOOFT-AWEZNQCLSA-N	-1	0	377.378	0.901	20	5		GCBDRM
CC(C)CCS(=O)(=O)[N-]C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000732511481	1201547017	/nfs/dbraw/zinc/54/70/17/1201547017.db2.gz	KHGNSDWWYGNYNZ-UHFFFAOYSA-N	-1	0	386.430	0.886	20	5		GCBDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000733711198	1201603585	/nfs/dbraw/zinc/60/35/85/1201603585.db2.gz	NXYJQHSJLIUNNP-UHFFFAOYSA-N	-1	0	383.382	0.825	20	5		GCBDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1	ZINC000733866556	1201610146	/nfs/dbraw/zinc/61/01/46/1201610146.db2.gz	NUKWLAXLDBIGDO-UHFFFAOYSA-N	-1	0	388.365	0.998	20	5		GCBDRM
COc1cc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c([N+](=O)[O-])cc1F	ZINC000766199644	1201632443	/nfs/dbraw/zinc/63/24/43/1201632443.db2.gz	GMFCIMQFGHFABE-UHFFFAOYSA-N	-1	0	377.288	0.871	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000734088719	1201641799	/nfs/dbraw/zinc/64/17/99/1201641799.db2.gz	OYPWACZWHHJEQT-UHFFFAOYSA-N	-1	0	388.354	0.379	20	5		GCBDRM
O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000735406012	1201688154	/nfs/dbraw/zinc/68/81/54/1201688154.db2.gz	TUWFATPDFAIAMZ-UHFFFAOYSA-N	-1	0	389.389	0.928	20	5		GCBDRM
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000735775921	1201700758	/nfs/dbraw/zinc/70/07/58/1201700758.db2.gz	RXVRGPRFFGIRGT-NSHDSACASA-N	-1	0	386.386	0.179	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000741112205	1201757686	/nfs/dbraw/zinc/75/76/86/1201757686.db2.gz	SJNOMJNUXOZDHI-UHFFFAOYSA-N	-1	0	387.305	0.734	20	5		GCBDRM
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)c1	ZINC000741113824	1201757696	/nfs/dbraw/zinc/75/76/96/1201757696.db2.gz	SSHHGEJTHSGGSQ-UHFFFAOYSA-N	-1	0	382.354	0.473	20	5		GCBDRM
COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)c1	ZINC000741108436	1201757900	/nfs/dbraw/zinc/75/79/00/1201757900.db2.gz	CMYOLRKAVFPULE-UHFFFAOYSA-N	-1	0	384.370	0.704	20	5		GCBDRM
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)c1	ZINC000741122129	1201758604	/nfs/dbraw/zinc/75/86/04/1201758604.db2.gz	MOTHPKMZJDUSQJ-UHFFFAOYSA-N	-1	0	395.397	0.388	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cn(Cc2ccccn2)nn1	ZINC000744003518	1201833098	/nfs/dbraw/zinc/83/30/98/1201833098.db2.gz	OGPXLHKROCWDPM-UHFFFAOYSA-N	-1	0	388.365	0.748	20	5		GCBDRM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(C[C@@H]2CCCS2(=O)=O)CC1	ZINC001169753747	1201956158	/nfs/dbraw/zinc/95/61/58/1201956158.db2.gz	YZLKZTLFAXHMRN-LBPRGKRZSA-N	-1	0	383.426	0.635	20	5		GCBDRM
NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000766925271	1201961454	/nfs/dbraw/zinc/96/14/54/1201961454.db2.gz	ZCVWTLKWXNUNTD-UHFFFAOYSA-N	-1	0	378.366	0.883	20	5		GCBDRM
CC(C)(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1	ZINC000769774179	1202070407	/nfs/dbraw/zinc/07/04/07/1202070407.db2.gz	OMSSLPRPRKLIKZ-UHFFFAOYSA-N	-1	0	395.397	0.920	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770771212	1202110735	/nfs/dbraw/zinc/11/07/35/1202110735.db2.gz	DBGNTVKVSKSCNC-UHFFFAOYSA-N	-1	0	387.305	0.734	20	5		GCBDRM
NC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000770776035	1202111005	/nfs/dbraw/zinc/11/10/05/1202111005.db2.gz	QPIFJQLDVVHYMF-UHFFFAOYSA-N	-1	0	397.340	0.717	20	5		GCBDRM
CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000771621935	1202151713	/nfs/dbraw/zinc/15/17/13/1202151713.db2.gz	PJKLMFSJHYDYKV-LLVKDONJSA-N	-1	0	387.418	0.673	20	5		GCBDRM
Cc1c([C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cnn1C	ZINC000788693206	1205427960	/nfs/dbraw/zinc/42/79/60/1205427960.db2.gz	HYBRIWFZSIBUBU-AWEZNQCLSA-N	-1	0	382.398	0.925	20	5		GCBDRM
COc1cc(C)c(S(=O)(=O)[N-]C(=O)Cn2cnc([N+](=O)[O-])n2)cc1OC	ZINC000789565352	1205443826	/nfs/dbraw/zinc/44/38/26/1205443826.db2.gz	JPRMQQAYZQYKRE-UHFFFAOYSA-N	-1	0	385.358	0.017	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cnc(OCC2CC2)cn1	ZINC000793168436	1205496849	/nfs/dbraw/zinc/49/68/49/1205496849.db2.gz	WEGUVFLHAHDIFU-UHFFFAOYSA-N	-1	0	379.354	0.687	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccccn1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000793310980	1205497780	/nfs/dbraw/zinc/49/77/80/1205497780.db2.gz	BMLYKOIVOBINKJ-UHFFFAOYSA-N	-1	0	388.365	0.830	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)CO[C@H](C)c2nccn2C)ccc1[N+](=O)[O-]	ZINC000805896775	1205545989	/nfs/dbraw/zinc/54/59/89/1205545989.db2.gz	LLBNYQPNSZIVAN-SNVBAGLBSA-N	-1	0	398.397	0.920	20	5		GCBDRM
CS(=O)(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n[n-]1	ZINC000806694621	1205562327	/nfs/dbraw/zinc/56/23/27/1205562327.db2.gz	DYCZVHHBTKUHMZ-UHFFFAOYSA-N	-1	0	396.385	0.205	20	5		GCBDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000811141684	1205647439	/nfs/dbraw/zinc/64/74/39/1205647439.db2.gz	QBALKTBNSAJCSN-UHFFFAOYSA-N	-1	0	388.354	0.582	20	5		GCBDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1	ZINC000811152101	1205647791	/nfs/dbraw/zinc/64/77/91/1205647791.db2.gz	OFTDVWSRIGRGIF-UHFFFAOYSA-N	-1	0	381.370	0.414	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000747752424	1205659747	/nfs/dbraw/zinc/65/97/47/1205659747.db2.gz	SVGLRLDRMFSNBS-UHFFFAOYSA-N	-1	0	398.441	0.892	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000747757120	1205660161	/nfs/dbraw/zinc/66/01/61/1205660161.db2.gz	KQXVIALFMURHKR-UHFFFAOYSA-N	-1	0	395.397	0.302	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1C	ZINC000813953234	1205681873	/nfs/dbraw/zinc/68/18/73/1205681873.db2.gz	VASANOHBJFQIQM-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000774927312	1205929229	/nfs/dbraw/zinc/92/92/29/1205929229.db2.gz	ZBJLYDVINQMXBK-UHFFFAOYSA-N	-1	0	393.381	0.242	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774927160	1205929300	/nfs/dbraw/zinc/92/93/00/1205929300.db2.gz	UHPPRGGSKIWMPO-ZETCQYMHSA-N	-1	0	385.358	0.606	20	5		GCBDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC001187391901	1205962507	/nfs/dbraw/zinc/96/25/07/1205962507.db2.gz	QUJXUDJRTVZHBN-GFCCVEGCSA-N	-1	0	396.347	0.890	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1	ZINC000262806409	939073611	/nfs/dbraw/zinc/07/36/11/939073611.db2.gz	ORSQLSNLMFHRTM-SWLSCSKDSA-N	-1	0	379.369	0.711	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1	ZINC000262806408	939073924	/nfs/dbraw/zinc/07/39/24/939073924.db2.gz	ORSQLSNLMFHRTM-IUODEOHRSA-N	-1	0	379.369	0.711	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1	ZINC000262819632	939074631	/nfs/dbraw/zinc/07/46/31/939074631.db2.gz	PKNWARIXYFDUJP-OTYXRUKQSA-N	-1	0	399.787	0.974	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)ccc1[N+](=O)[O-]	ZINC000262841864	939077630	/nfs/dbraw/zinc/07/76/30/939077630.db2.gz	RKFCTEPRGIYSGH-DOMZBBRYSA-N	-1	0	379.369	0.629	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1	ZINC000262856744	939079900	/nfs/dbraw/zinc/07/99/00/939079900.db2.gz	SXKCNXRFONTJNS-RISCZKNCSA-N	-1	0	375.341	0.785	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc([N+](=O)[O-])c1	ZINC000432112527	939176550	/nfs/dbraw/zinc/17/65/50/939176550.db2.gz	MTTAHVAKGSTUBS-NOZJJQNGSA-N	-1	0	386.382	0.608	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCCOC1	ZINC000450517679	939207710	/nfs/dbraw/zinc/20/77/10/939207710.db2.gz	GSVFXEDIJDWPLF-HWPZZCPQSA-N	-1	0	380.353	0.905	20	5		GCBDRM
O=C([O-])[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1	ZINC000595987737	939802556	/nfs/dbraw/zinc/80/25/56/939802556.db2.gz	BZNOQIBLNGVFHS-CQSZACIVSA-N	-1	0	399.425	0.880	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000597160606	939803086	/nfs/dbraw/zinc/80/30/86/939803086.db2.gz	CUQKIPGRRAGOLY-HNNXBMFYSA-N	-1	0	379.369	0.711	20	5		GCBDRM
Cc1c(C(=O)NC2(C(=O)[O-])CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000596000360	939803123	/nfs/dbraw/zinc/80/31/23/939803123.db2.gz	TUNILXKALOEWIT-UHFFFAOYSA-N	-1	0	375.341	0.848	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000597160609	939803136	/nfs/dbraw/zinc/80/31/36/939803136.db2.gz	CUQKIPGRRAGOLY-OAHLLOKOSA-N	-1	0	379.369	0.711	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600872100	939804023	/nfs/dbraw/zinc/80/40/23/939804023.db2.gz	CMIGDWYCLSDQJQ-OAHLLOKOSA-N	-1	0	387.414	0.682	20	5		GCBDRM
CC(C)(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824071226	946574392	/nfs/dbraw/zinc/57/43/92/946574392.db2.gz	HARLJEFYZSIHMI-UHFFFAOYSA-N	-1	0	397.417	0.216	20	5		GCBDRM
CO[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000826146901	947467455	/nfs/dbraw/zinc/46/74/55/947467455.db2.gz	HSSMAEWTITYFQC-JTQLQIEISA-N	-1	0	382.402	0.965	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOCC3(CC3)C2)c1-c1nnn[n-]1	ZINC000826500253	948415810	/nfs/dbraw/zinc/41/58/10/948415810.db2.gz	PVKOWBCRGORIEM-UHFFFAOYSA-N	-1	0	380.386	0.576	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCCO3)C2	ZINC001595279277	949961665	/nfs/dbraw/zinc/96/16/65/949961665.db2.gz	QMAGPNWEPHTTGD-BTDLBPIBSA-N	-1	0	378.337	0.929	20	5		GCBDRM
CN(CCC(=O)[O-])C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262845472	950172351	/nfs/dbraw/zinc/17/23/51/950172351.db2.gz	DZVBRNYPVZFPJI-LBPRGKRZSA-N	-1	0	399.425	0.929	20	5		GCBDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263245109	950340502	/nfs/dbraw/zinc/34/05/02/950340502.db2.gz	SDHPYZHEHPOYSH-NWDGAFQWSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@@H](C(=O)[O-])N(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000263542464	950506416	/nfs/dbraw/zinc/50/64/16/950506416.db2.gz	DTQPKXQYXVIWPV-JTQLQIEISA-N	-1	0	385.398	0.679	20	5		GCBDRM
CC1(C)C[C@](C)(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C(=O)O1	ZINC001575631564	950779018	/nfs/dbraw/zinc/77/90/18/950779018.db2.gz	PUMJVYAYROVHGD-AWEZNQCLSA-N	-1	0	396.385	0.537	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1=O	ZINC001595091064	951774245	/nfs/dbraw/zinc/77/42/45/951774245.db2.gz	LZGRXXZZOAJAFZ-CQSZACIVSA-N	-1	0	378.385	0.902	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001593641054	953645314	/nfs/dbraw/zinc/64/53/14/953645314.db2.gz	WRZLMQNFHKBDIR-HNNXBMFYSA-N	-1	0	388.398	0.648	20	5		GCBDRM
O=C([O-])C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1	ZINC001594827024	953944525	/nfs/dbraw/zinc/94/45/25/953944525.db2.gz	UMRSNXPYKSDCLM-UHFFFAOYSA-N	-1	0	383.382	0.048	20	5		GCBDRM
O=C([O-])C1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCS(=O)(=O)CC1	ZINC001594845434	954139441	/nfs/dbraw/zinc/13/94/41/954139441.db2.gz	PNDMUJYFDVUPQK-UHFFFAOYSA-N	-1	0	398.393	0.464	20	5		GCBDRM
O=C([O-])C1(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CCS(=O)(=O)CC1	ZINC001594862934	954291683	/nfs/dbraw/zinc/29/16/83/954291683.db2.gz	RBAJYDKFFDOULK-UHFFFAOYSA-N	-1	0	392.336	0.769	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CCO1	ZINC001594945111	954911573	/nfs/dbraw/zinc/91/15/73/954911573.db2.gz	JEHVWBCZWBOFSJ-NSHDSACASA-N	-1	0	385.279	0.345	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCO1	ZINC001593983091	956727040	/nfs/dbraw/zinc/72/70/40/956727040.db2.gz	FSQFWKXLTGCNSO-HNNXBMFYSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CCO1	ZINC001593983625	956733507	/nfs/dbraw/zinc/73/35/07/956733507.db2.gz	AIHHNLPKVIEPHY-OAHLLOKOSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCO1	ZINC001593984394	956747981	/nfs/dbraw/zinc/74/79/81/956747981.db2.gz	IORZXOYPTQQWNK-QGZVFWFLSA-N	-1	0	379.369	0.793	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1	ZINC001594007975	956982686	/nfs/dbraw/zinc/98/26/86/956982686.db2.gz	DXNAYXXXHMQENX-UHFFFAOYSA-N	-1	0	393.352	0.812	20	5		GCBDRM
O=C([O-])[C@@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCCO1	ZINC001574824709	957924995	/nfs/dbraw/zinc/92/49/95/957924995.db2.gz	CXSNXAZCNPXJHY-HNNXBMFYSA-N	-1	0	383.382	0.575	20	5		GCBDRM
Cc1cc(OCC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)ccc1[N+](=O)[O-]	ZINC001594328171	958191609	/nfs/dbraw/zinc/19/16/09/958191609.db2.gz	IKCVWIURRCUEQQ-CYBMUJFWSA-N	-1	0	379.369	0.864	20	5		GCBDRM
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(C(=O)[O-])C1	ZINC001594184549	959108044	/nfs/dbraw/zinc/10/80/44/959108044.db2.gz	UPTGVAFSEPZFBV-ZDUSSCGKSA-N	-1	0	381.410	0.989	20	5		GCBDRM
O=C([O-])[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000227947600	959977289	/nfs/dbraw/zinc/97/72/89/959977289.db2.gz	SKRWNNYTSAPESN-QMMMGPOBSA-N	-1	0	380.094	0.375	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC001574321584	960824085	/nfs/dbraw/zinc/82/40/85/960824085.db2.gz	AYLJQYWTLFLMJU-GFCCVEGCSA-N	-1	0	399.425	0.956	20	5		GCBDRM
COc1cc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cc([N+](=O)[O-])c1C	ZINC001329288856	961260315	/nfs/dbraw/zinc/26/03/15/961260315.db2.gz	SVAYCCNXHULGLY-GOSISDBHSA-N	-1	0	393.396	0.913	20	5		GCBDRM
CN(C1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1)S(C)(=O)=O	ZINC000262679576	961804716	/nfs/dbraw/zinc/80/47/16/961804716.db2.gz	ZLADTVBNUDFSRF-UHFFFAOYSA-N	-1	0	385.398	0.789	20	5		GCBDRM
C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262887614	961962098	/nfs/dbraw/zinc/96/20/98/961962098.db2.gz	MYOGBICPPHGNAQ-NEPJUHHUSA-N	-1	0	399.425	0.927	20	5		GCBDRM
O=C([O-])[C@@H](CC(F)(F)F)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262953302	962038401	/nfs/dbraw/zinc/03/84/01/962038401.db2.gz	LLLFCMUDQFHYPO-MRVPVSSYSA-N	-1	0	391.258	0.842	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC001574724427	962807848	/nfs/dbraw/zinc/80/78/48/962807848.db2.gz	UBRJPMPFVSPGOZ-CQSZACIVSA-N	-1	0	378.385	0.902	20	5		GCBDRM
C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000427675859	968370855	/nfs/dbraw/zinc/37/08/55/968370855.db2.gz	BDYPIAXKOJNPPO-VXGBXAGGSA-N	-1	0	399.425	0.975	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1	ZINC000515365595	968389172	/nfs/dbraw/zinc/38/91/72/968389172.db2.gz	MHEKGCWGMVEXNS-OAHLLOKOSA-N	-1	0	387.414	0.773	20	5		GCBDRM
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000578506435	968467618	/nfs/dbraw/zinc/46/76/18/968467618.db2.gz	IUMZPYSBXYNMPY-DGCLKSJQSA-N	-1	0	387.352	0.485	20	5		GCBDRM
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000578506436	968467629	/nfs/dbraw/zinc/46/76/29/968467629.db2.gz	IUMZPYSBXYNMPY-WCQYABFASA-N	-1	0	387.352	0.485	20	5		GCBDRM
CCOc1ccc(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000581610357	968475826	/nfs/dbraw/zinc/47/58/26/968475826.db2.gz	KRQBXWHGCGUIBM-UHFFFAOYSA-N	-1	0	380.357	0.161	20	5		GCBDRM
O=C([O-])CN(CC1CC1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000593921393	968493681	/nfs/dbraw/zinc/49/36/81/968493681.db2.gz	HSVNZQNVTWDAFC-UHFFFAOYSA-N	-1	0	385.398	0.586	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c([N+](=O)[O-])s1	ZINC001605219582	972967185	/nfs/dbraw/zinc/96/71/85/972967185.db2.gz	IPVXEIZHKMCAHY-VIFPVBQESA-N	-1	0	391.427	0.709	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605224390	972975412	/nfs/dbraw/zinc/97/54/12/972975412.db2.gz	FWSZKRCXYNVCNH-CYBMUJFWSA-N	-1	0	399.425	0.956	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c(C)c1[N+](=O)[O-]	ZINC001605306636	973122134	/nfs/dbraw/zinc/12/21/34/973122134.db2.gz	UUTVRMTZTIMVEP-GFCCVEGCSA-N	-1	0	399.425	0.956	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1	ZINC001604558271	973605330	/nfs/dbraw/zinc/60/53/30/973605330.db2.gz	NIULDZJWEWRVTO-KRWDZBQOSA-N	-1	0	379.369	0.286	20	5		GCBDRM
CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000431859924	974077752	/nfs/dbraw/zinc/07/77/52/974077752.db2.gz	OXBDUZFBJYAJBX-LLVKDONJSA-N	-1	0	383.405	0.825	20	5		GCBDRM
COc1cc(CN(CC(=O)[O-])C(=O)Cn2cnc([N+](=O)[O-])n2)cc(OC)c1	ZINC000485711685	974233356	/nfs/dbraw/zinc/23/33/56/974233356.db2.gz	SWTUSFSEQGLWDJ-UHFFFAOYSA-N	-1	0	379.329	0.317	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000572360056	974746346	/nfs/dbraw/zinc/74/63/46/974746346.db2.gz	FAXQPAGPBNIXTA-UHFFFAOYSA-N	-1	0	386.382	0.863	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1	ZINC000574036644	974776144	/nfs/dbraw/zinc/77/61/44/974776144.db2.gz	YEQNEPYOYKMHAK-MEBBXXQBSA-N	-1	0	386.382	0.862	20	5		GCBDRM
O=C([O-])c1cncnc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000576946295	974825565	/nfs/dbraw/zinc/82/55/65/974825565.db2.gz	KYLJCCACAUSBFA-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
Cc1cc(NCCN2CCN(S(C)(=O)=O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000592969807	974976644	/nfs/dbraw/zinc/97/66/44/974976644.db2.gz	OARJLWJJFZJCQX-UHFFFAOYSA-N	-1	0	386.430	0.591	20	5		GCBDRM
O=C([O-])CCC1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000596001209	974997606	/nfs/dbraw/zinc/99/76/06/974997606.db2.gz	QGBVEASIDJFGDY-UHFFFAOYSA-N	-1	0	399.425	0.977	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)n1	ZINC000600659394	975004011	/nfs/dbraw/zinc/00/40/11/975004011.db2.gz	OTNNYAMYDLFOQV-UHFFFAOYSA-N	-1	0	384.345	0.913	20	5		GCBDRM
CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@](C)(C(=O)[O-])C1	ZINC000600876061	975011145	/nfs/dbraw/zinc/01/11/45/975011145.db2.gz	VKEJPQZUHRVYLR-ABAIWWIYSA-N	-1	0	386.382	0.703	20	5		GCBDRM
CC(C)OC[C@@H](CO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001591718544	975629524	/nfs/dbraw/zinc/62/95/24/975629524.db2.gz	QNLADSLLJBMOEB-LLVKDONJSA-N	-1	0	376.387	0.699	20	5		GCBDRM
CC(C)OC[C@@H](CO)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001591718633	975629528	/nfs/dbraw/zinc/62/95/28/975629528.db2.gz	RQVCUFWCHZXAFN-SNVBAGLBSA-N	-1	0	376.387	0.699	20	5		GCBDRM
CC(C)[C@H](NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(=O)[O-]	ZINC001591870386	976201493	/nfs/dbraw/zinc/20/14/93/976201493.db2.gz	LEFMCQTXAHBHAB-AWEZNQCLSA-N	-1	0	398.441	0.640	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN(C/C=C(/C)C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000832454927	979045841	/nfs/dbraw/zinc/04/58/41/979045841.db2.gz	FAQCDWUKOUFVEH-XGICHPGQSA-N	-1	0	399.425	0.941	20	5		GCBDRM
Cn1cc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C(=O)[O-]	ZINC000833053390	979074255	/nfs/dbraw/zinc/07/42/55/979074255.db2.gz	JNNBDYOPJZTEBL-UHFFFAOYSA-N	-1	0	395.397	0.537	20	5		GCBDRM
CN(CCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000841503875	979307241	/nfs/dbraw/zinc/30/72/41/979307241.db2.gz	PPARRZJKLYJTGC-UHFFFAOYSA-N	-1	0	387.414	0.917	20	5		GCBDRM
Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000843047401	979332617	/nfs/dbraw/zinc/33/26/17/979332617.db2.gz	UBDVKTLBWWHJSP-UHFFFAOYSA-N	-1	0	383.332	0.978	20	5		GCBDRM
C[C@@H](CS(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001592799900	979455765	/nfs/dbraw/zinc/45/57/65/979455765.db2.gz	HFEJMIYOSRPATN-NSHDSACASA-N	-1	0	385.398	0.403	20	5		GCBDRM
CC[C@@H](CN1CCOCC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001595131548	979554949	/nfs/dbraw/zinc/55/49/49/979554949.db2.gz	WXPOYOHMXYDAFU-NSHDSACASA-N	-1	0	387.414	0.682	20	5		GCBDRM
CCN(C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC001596145212	983500516	/nfs/dbraw/zinc/50/05/16/983500516.db2.gz	CQOVIZAFPXTUPR-SNVBAGLBSA-N	-1	0	386.382	0.707	20	5		GCBDRM
CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC001589024616	985037471	/nfs/dbraw/zinc/03/74/71/985037471.db2.gz	SWIZDXDOGZTPAU-CQSZACIVSA-N	-1	0	387.348	0.771	20	5		GCBDRM
CC(=O)N1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1	ZINC001589069841	985209078	/nfs/dbraw/zinc/20/90/78/985209078.db2.gz	HRVZWHSQDSDUAL-LLVKDONJSA-N	-1	0	385.398	0.830	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2[N+](=O)[O-])CC1	ZINC001589085031	985254364	/nfs/dbraw/zinc/25/43/64/985254364.db2.gz	KPKGJSYWZXTSIR-UHFFFAOYSA-N	-1	0	376.369	0.610	20	5		GCBDRM
CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1	ZINC001589120483	985388658	/nfs/dbraw/zinc/38/86/58/985388658.db2.gz	ZZJZGYAKQCCDIL-RDTXWAMCSA-N	-1	0	392.412	0.611	20	5		GCBDRM
CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1	ZINC001589128646	985407412	/nfs/dbraw/zinc/40/74/12/985407412.db2.gz	AHBKTQGGZIJIHP-NSHDSACASA-N	-1	0	385.398	0.830	20	5		GCBDRM
CC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001589130993	985424810	/nfs/dbraw/zinc/42/48/10/985424810.db2.gz	YZRYTMZFUHQULW-NSHDSACASA-N	-1	0	385.398	0.972	20	5		GCBDRM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC001594519605	985961839	/nfs/dbraw/zinc/96/18/39/985961839.db2.gz	AQKVFWYBGQKIQT-LLVKDONJSA-N	-1	0	399.425	0.619	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC[S@@](=O)C1	ZINC001594555320	986284603	/nfs/dbraw/zinc/28/46/03/986284603.db2.gz	UNRJGFICKRXRNO-XQHREBAHSA-N	-1	0	376.412	0.682	20	5		GCBDRM
C[C@H](C(=O)N1CCCC1)N1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC001589356928	986343035	/nfs/dbraw/zinc/34/30/35/986343035.db2.gz	SOSHDKCLXGDYNE-GFCCVEGCSA-N	-1	0	377.401	0.821	20	5		GCBDRM
C[C@@H](C(=O)N1CCCC1)N1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC001589356930	986343440	/nfs/dbraw/zinc/34/34/40/986343440.db2.gz	SOSHDKCLXGDYNE-LBPRGKRZSA-N	-1	0	377.401	0.821	20	5		GCBDRM
C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC001594657915	986923133	/nfs/dbraw/zinc/92/31/33/986923133.db2.gz	JYFAOOUACLHHMA-ZWNOBZJWSA-N	-1	0	396.425	0.888	20	5		GCBDRM
CCC(=O)N1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001594700832	987137559	/nfs/dbraw/zinc/13/75/59/987137559.db2.gz	QUSLDYVRLJCCOL-UHFFFAOYSA-N	-1	0	385.398	0.926	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001597563865	988319997	/nfs/dbraw/zinc/31/99/97/988319997.db2.gz	YLVQVONYFDBAGF-AWEZNQCLSA-N	-1	0	379.369	0.780	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001599877385	989437026	/nfs/dbraw/zinc/43/70/26/989437026.db2.gz	PEPZGKIFADZQLG-VXGBXAGGSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CC(C)(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C(=O)N1CCCC1	ZINC001590879164	990791051	/nfs/dbraw/zinc/79/10/51/990791051.db2.gz	NMJAHYIQHSYNQS-UHFFFAOYSA-N	-1	0	385.398	0.972	20	5		GCBDRM
CN(CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC001598386538	991608455	/nfs/dbraw/zinc/60/84/55/991608455.db2.gz	AHAQFQSAXOCJIC-CJNGLKHVSA-N	-1	0	399.425	0.130	20	5		GCBDRM
CN(CC(=O)N[C@H](CCF)C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598387529	991621612	/nfs/dbraw/zinc/62/16/12/991621612.db2.gz	RLUNLKWHIOSTFB-LLVKDONJSA-N	-1	0	377.350	0.144	20	5		GCBDRM
CN(CC(=O)N[C@@H](CO)C(=O)[O-])c1cc(Br)ccc1[N+](=O)[O-]	ZINC001598396541	991657765	/nfs/dbraw/zinc/65/77/65/991657765.db2.gz	LGEMZGHEJAMGLK-QMMMGPOBSA-N	-1	0	376.163	0.355	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001591167823	991940026	/nfs/dbraw/zinc/94/00/26/991940026.db2.gz	NWDLNCLMZWOIMV-ZDUSSCGKSA-N	-1	0	379.417	0.727	20	5		GCBDRM
CS(=O)(=O)NC1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001599757664	992075986	/nfs/dbraw/zinc/07/59/86/992075986.db2.gz	DKPOIMDZZLZDAX-UHFFFAOYSA-N	-1	0	387.414	0.572	20	5		GCBDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-]	ZINC001599762262	992138438	/nfs/dbraw/zinc/13/84/38/992138438.db2.gz	BKWSMOJWEDZSSY-XJKSGUPXSA-N	-1	0	395.393	0.554	20	5		GCBDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001599763540	992154292	/nfs/dbraw/zinc/15/42/92/992154292.db2.gz	ZKOKZDQMQSQYPB-RSUWNVLCSA-N	-1	0	382.394	0.702	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cc1[N+](=O)[O-]	ZINC001599768585	992214422	/nfs/dbraw/zinc/21/44/22/992214422.db2.gz	QVPNWQZIQCPCQZ-XVKPBYJWSA-N	-1	0	378.309	0.694	20	5		GCBDRM
C[S@](=O)C1(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCC1	ZINC001599776525	992309933	/nfs/dbraw/zinc/30/99/33/992309933.db2.gz	YCXXUEDZUNHLRB-QHCPKHFHSA-N	-1	0	376.412	0.873	20	5		GCBDRM
CN1C(=O)NCC12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CC2	ZINC001598556423	993062791	/nfs/dbraw/zinc/06/27/91/993062791.db2.gz	FYRTZBVQRJKRAM-UHFFFAOYSA-N	-1	0	398.397	0.471	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC1=O	ZINC001598564042	993121283	/nfs/dbraw/zinc/12/12/83/993121283.db2.gz	XYCYNAHRWHBPGO-AWEZNQCLSA-N	-1	0	387.352	0.207	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1=O	ZINC001598564226	993123762	/nfs/dbraw/zinc/12/37/62/993123762.db2.gz	YSJVWSNHZPNJJZ-SNVBAGLBSA-N	-1	0	379.325	0.124	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1=O	ZINC001598565224	993135417	/nfs/dbraw/zinc/13/54/17/993135417.db2.gz	QYSBUAZGHZOKAJ-KRWDZBQOSA-N	-1	0	393.399	0.909	20	5		GCBDRM
C[C@@](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593138775	993910490	/nfs/dbraw/zinc/91/04/90/993910490.db2.gz	KWHZCXUYDMFCCS-AVKPWTQGSA-N	-1	0	390.348	0.731	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593171365	994030887	/nfs/dbraw/zinc/03/08/87/994030887.db2.gz	UBUMTPFQUFFURY-JSGCOSHPSA-N	-1	0	392.412	0.709	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001599623240	994113197	/nfs/dbraw/zinc/11/31/97/994113197.db2.gz	WWZHCUZCHSARAO-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
CNC(=O)[C@]1(C)CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001598635324	994239013	/nfs/dbraw/zinc/23/90/13/994239013.db2.gz	ABSYBPWNXBEWBG-DYZYQPBXSA-N	-1	0	378.385	0.760	20	5		GCBDRM
COc1cccc(C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(=O)[O-])c1	ZINC001599669646	994788085	/nfs/dbraw/zinc/78/80/85/994788085.db2.gz	WKTUTIVTLQRZOC-AWEZNQCLSA-N	-1	0	375.337	0.577	20	5		GCBDRM
C[C@@](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593318734	994838727	/nfs/dbraw/zinc/83/87/27/994838727.db2.gz	JYDIMESYXWSKEU-CJNGLKHVSA-N	-1	0	397.409	0.577	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001598767084	995844309	/nfs/dbraw/zinc/84/43/09/995844309.db2.gz	IEBGPPDWJZTESK-DYEKYZERSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001598767087	995844393	/nfs/dbraw/zinc/84/43/93/995844393.db2.gz	IEBGPPDWJZTESK-OBJOEFQTSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC001598777306	995943220	/nfs/dbraw/zinc/94/32/20/995943220.db2.gz	LWRILDVLLFIJIR-ZYHUDNBSSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC001598777303	995943655	/nfs/dbraw/zinc/94/36/55/995943655.db2.gz	LWRILDVLLFIJIR-CMPLNLGQSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC001598780953	995983299	/nfs/dbraw/zinc/98/32/99/995983299.db2.gz	WCEGLNLAXUBQKC-KCJUWKMLSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC001598783407	996007947	/nfs/dbraw/zinc/00/79/47/996007947.db2.gz	CSIIETIFMSYSBP-GZMMTYOYSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC001598785685	996027502	/nfs/dbraw/zinc/02/75/02/996027502.db2.gz	RCJNWAGOZLYGOB-DGCLKSJQSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC001598800472	996134832	/nfs/dbraw/zinc/13/48/32/996134832.db2.gz	UDUMGEYEUCIVAL-SCZZXKLOSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C(=O)[O-]	ZINC001598825714	996380229	/nfs/dbraw/zinc/38/02/29/996380229.db2.gz	KVWSQEYEMFXEET-WDEREUQCSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598825741	996380320	/nfs/dbraw/zinc/38/03/20/996380320.db2.gz	LHTRFKULEVWUCN-GHMZBOCLSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598826563	996389285	/nfs/dbraw/zinc/38/92/85/996389285.db2.gz	NIGUMSJASZBNJW-RKDXNWHRSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC001598827503	996398846	/nfs/dbraw/zinc/39/88/46/996398846.db2.gz	RKKKXATZAWMEQC-ZJUUUORDSA-N	-1	0	390.345	0.537	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC001593766120	996445024	/nfs/dbraw/zinc/44/50/24/996445024.db2.gz	GPCGWMBSPURTRN-OAHLLOKOSA-N	-1	0	385.398	0.586	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC001593766118	996445084	/nfs/dbraw/zinc/44/50/84/996445084.db2.gz	GPCGWMBSPURTRN-HNNXBMFYSA-N	-1	0	385.398	0.586	20	5		GCBDRM
CC1(C)COCCN1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001593961248	997089472	/nfs/dbraw/zinc/08/94/72/997089472.db2.gz	PVFFHHTWZUIAAQ-UHFFFAOYSA-N	-1	0	387.414	0.682	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC001599401116	997215767	/nfs/dbraw/zinc/21/57/67/997215767.db2.gz	XQYNTQBTFFDYEV-AAEUAGOBSA-N	-1	0	396.352	0.885	20	5		GCBDRM
COCCCNC(=O)[C@@H](C)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001599225458	997750299	/nfs/dbraw/zinc/75/02/99/997750299.db2.gz	JYJLMUZJQIHLLX-GFCCVEGCSA-N	-1	0	395.416	0.351	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001599336596	997848639	/nfs/dbraw/zinc/84/86/39/997848639.db2.gz	YKJQQADTLACONN-CYBMUJFWSA-N	-1	0	378.334	0.607	20	5		GCBDRM
COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001599233703	997909172	/nfs/dbraw/zinc/90/91/72/997909172.db2.gz	VHSAITWRDBRPPW-UHFFFAOYSA-N	-1	0	389.386	0.018	20	5		GCBDRM
CO[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@](C)(C(=O)[O-])C1	ZINC001599133234	997989359	/nfs/dbraw/zinc/98/93/59/997989359.db2.gz	LMHRZNJAUWVIDA-BJOHPYRUSA-N	-1	0	386.382	0.703	20	5		GCBDRM
COCCN1C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1=O	ZINC001599239667	998015194	/nfs/dbraw/zinc/01/51/94/998015194.db2.gz	IHYTVMAKBMOFER-APPDUMDISA-N	-1	0	379.369	0.506	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001599461720	998284165	/nfs/dbraw/zinc/28/41/65/998284165.db2.gz	BKUZGFHBWKUUPI-QGZVFWFLSA-N	-1	0	394.384	0.997	20	5		GCBDRM
C[C@@H]1[C@@H](C)N(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@@H](C)C(=O)N1C	ZINC001594177099	998685188	/nfs/dbraw/zinc/68/51/88/998685188.db2.gz	ROOYUUGIASQMBM-BBBLOLIVSA-N	-1	0	385.398	0.921	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1	ZINC001599064929	999292341	/nfs/dbraw/zinc/29/23/41/999292341.db2.gz	DEDYYEXBLUDRGC-QGZVFWFLSA-N	-1	0	377.353	0.182	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1	ZINC001599069254	999320188	/nfs/dbraw/zinc/32/01/88/999320188.db2.gz	SJEICXJZBDJCRK-KRWDZBQOSA-N	-1	0	379.369	0.298	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F	ZINC000285877789	530124722	/nfs/dbraw/zinc/12/47/22/530124722.db2.gz	BDQNWFVUSPOQFB-JTQLQIEISA-N	-1	0	385.320	0.853	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1=O	ZINC000274524651	530190922	/nfs/dbraw/zinc/19/09/22/530190922.db2.gz	ZZWGZCQETZGKNM-UHFFFAOYSA-N	-1	0	382.276	0.701	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(NS(C)(=O)=O)cc2)n1	ZINC000599214915	530160972	/nfs/dbraw/zinc/16/09/72/530160972.db2.gz	LZQJDZVPMKRDRZ-UHFFFAOYSA-N	-1	0	389.415	0.178	20	5		GCBDRM
CCOC(=O)CC1([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCOCC1	ZINC000599349158	530162002	/nfs/dbraw/zinc/16/20/02/530162002.db2.gz	LCCGAYUIVGNCLQ-UHFFFAOYSA-N	-1	0	376.391	0.109	20	5		GCBDRM
CS(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC000366535892	530206227	/nfs/dbraw/zinc/20/62/27/530206227.db2.gz	SXVJGGJBHBDLIV-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000262412947	530245614	/nfs/dbraw/zinc/24/56/14/530245614.db2.gz	LTFVUFIARTYUEH-QMMMGPOBSA-N	-1	0	393.805	0.848	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000262503664	530246457	/nfs/dbraw/zinc/24/64/57/530246457.db2.gz	ZNBODPFUWANRLX-QMMMGPOBSA-N	-1	0	377.350	0.334	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1	ZINC000550938418	530250859	/nfs/dbraw/zinc/25/08/59/530250859.db2.gz	VHENJOVYSZZQFR-SNVBAGLBSA-N	-1	0	395.187	0.831	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000262349761	530220512	/nfs/dbraw/zinc/22/05/12/530220512.db2.gz	AUHZBQFLDWSLPZ-QMMMGPOBSA-N	-1	0	377.350	0.334	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000564457676	530221439	/nfs/dbraw/zinc/22/14/39/530221439.db2.gz	IYKHLOIGWKSBGI-DAOPMYJZSA-N	-1	0	376.412	0.363	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1	ZINC000514726211	530272995	/nfs/dbraw/zinc/27/29/95/530272995.db2.gz	ZDJADRYAGLDLJF-MRVPVSSYSA-N	-1	0	378.384	0.149	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)c([N+](=O)[O-])n1	ZINC000435722845	530257043	/nfs/dbraw/zinc/25/70/43/530257043.db2.gz	PDWTUYCKRFVJJQ-UHFFFAOYSA-N	-1	0	389.415	0.401	20	5		GCBDRM
Cc1cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])ccc1S(N)(=O)=O	ZINC000560022327	530258914	/nfs/dbraw/zinc/25/89/14/530258914.db2.gz	FFWFNDDVMVFJNW-UHFFFAOYSA-N	-1	0	386.411	0.424	20	5		GCBDRM
NC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1	ZINC000611497783	530266601	/nfs/dbraw/zinc/26/66/01/530266601.db2.gz	JEOKANVWQBGUCV-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
COCCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000516925543	530313810	/nfs/dbraw/zinc/31/38/10/530313810.db2.gz	SRMRIIRSDSVYAG-UHFFFAOYSA-N	-1	0	376.387	0.885	20	5		GCBDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000517239009	530315769	/nfs/dbraw/zinc/31/57/69/530315769.db2.gz	LKTREUAJKBDBOV-IUCAKERBSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CCOC(=O)COCCNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000579965923	530322602	/nfs/dbraw/zinc/32/26/02/530322602.db2.gz	WWNKOTYEMNCHRE-UHFFFAOYSA-N	-1	0	376.343	0.151	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c1[N+](=O)[O-]	ZINC000582006165	530326519	/nfs/dbraw/zinc/32/65/19/530326519.db2.gz	BTAOJNDJHDCGMI-UHFFFAOYSA-N	-1	0	385.276	0.250	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000582305184	530327272	/nfs/dbraw/zinc/32/72/72/530327272.db2.gz	QOMXONSECFBNBN-SECBINFHSA-N	-1	0	392.411	0.396	20	5		GCBDRM
CS(=O)(=O)CC1(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000583756571	530358152	/nfs/dbraw/zinc/35/81/52/530358152.db2.gz	JAWKUJRHZJDEIV-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
CCOCCS(=O)(=O)NCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000290329328	530359808	/nfs/dbraw/zinc/35/98/08/530359808.db2.gz	JJECJIVOTIGTLP-UHFFFAOYSA-N	-1	0	381.794	0.848	20	5		GCBDRM
CS(=O)(=O)CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000582902032	530331938	/nfs/dbraw/zinc/33/19/38/530331938.db2.gz	DBWKMOSRGLECDL-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
C[C@](O)(CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000580161157	530335469	/nfs/dbraw/zinc/33/54/69/530335469.db2.gz	WJVKRKOVENHVRH-NSHDSACASA-N	-1	0	394.121	0.765	20	5		GCBDRM
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000563231514	530348948	/nfs/dbraw/zinc/34/89/48/530348948.db2.gz	KFKZPKBWUYVVTR-VIFPVBQESA-N	-1	0	378.384	0.101	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000565301562	530351711	/nfs/dbraw/zinc/35/17/11/530351711.db2.gz	YJWJDWWFVUWNOW-ZETCQYMHSA-N	-1	0	380.400	0.313	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000566175968	530372666	/nfs/dbraw/zinc/37/26/66/530372666.db2.gz	FIOFQDSYKVDPRW-QMMMGPOBSA-N	-1	0	380.400	0.395	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2CCS(=O)(=O)CC2)c1	ZINC000566316392	530374235	/nfs/dbraw/zinc/37/42/35/530374235.db2.gz	WAWJSLKBEWSWCI-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000567799331	530471081	/nfs/dbraw/zinc/47/10/81/530471081.db2.gz	LMWNYOXAUKPQII-MRVPVSSYSA-N	-1	0	380.400	0.347	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)CC1	ZINC000568007009	530478776	/nfs/dbraw/zinc/47/87/76/530478776.db2.gz	ZFDSPVXGDFCLAY-UHFFFAOYSA-N	-1	0	378.384	0.021	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000568006541	530478960	/nfs/dbraw/zinc/47/89/60/530478960.db2.gz	HUPWTAYRXMZZMM-LVPZIMMTSA-N	-1	0	376.412	0.823	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000568006539	530478964	/nfs/dbraw/zinc/47/89/64/530478964.db2.gz	HUPWTAYRXMZZMM-DNKNOMGSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000567799370	530472182	/nfs/dbraw/zinc/47/21/82/530472182.db2.gz	MTWPOKAXINTOKI-LVPZIMMTSA-N	-1	0	376.412	0.823	20	5		GCBDRM
CS(=O)(=O)CCCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000567903401	530474867	/nfs/dbraw/zinc/47/48/67/530474867.db2.gz	QZNVUSBTJFXUOQ-UHFFFAOYSA-N	-1	0	394.427	0.786	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000568754839	530492759	/nfs/dbraw/zinc/49/27/59/530492759.db2.gz	UKKPFNGALXYNFH-MRVPVSSYSA-N	-1	0	394.427	0.703	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)c1	ZINC000569107895	530495964	/nfs/dbraw/zinc/49/59/64/530495964.db2.gz	HMPIWPBSEXPHQV-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
CS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000326455226	530506170	/nfs/dbraw/zinc/50/61/70/530506170.db2.gz	KAYFYJARDHJGPG-SNVBAGLBSA-N	-1	0	378.428	0.746	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000570393710	530501540	/nfs/dbraw/zinc/50/15/40/530501540.db2.gz	MCJTYRAOAJGPOP-NSHDSACASA-N	-1	0	384.288	0.981	20	5		GCBDRM
CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1	ZINC000600655971	530520428	/nfs/dbraw/zinc/52/04/28/530520428.db2.gz	CHAXPCITOCMMQF-UHFFFAOYSA-N	-1	0	375.378	0.903	20	5		GCBDRM
O=[N+]([O-])c1ccc(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)nc1	ZINC000438887514	530571866	/nfs/dbraw/zinc/57/18/66/530571866.db2.gz	QRPNRCUKIKCKHD-UHFFFAOYSA-N	-1	0	383.352	0.945	20	5		GCBDRM
O=[N+]([O-])c1ccc(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)cn1	ZINC000438880690	530572061	/nfs/dbraw/zinc/57/20/61/530572061.db2.gz	BIXQSJSZLKPHPA-UHFFFAOYSA-N	-1	0	383.352	0.945	20	5		GCBDRM
CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)N1CCOCC1	ZINC000267666595	530592764	/nfs/dbraw/zinc/59/27/64/530592764.db2.gz	YDVFQNQGCLOOTA-LLVKDONJSA-N	-1	0	375.378	0.650	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Br)cc1	ZINC000485213973	530585773	/nfs/dbraw/zinc/58/57/73/530585773.db2.gz	VDQZWANMABVTMZ-JTQLQIEISA-N	-1	0	384.146	0.891	20	5		GCBDRM
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1	ZINC000267606142	530587975	/nfs/dbraw/zinc/58/79/75/530587975.db2.gz	BTTZMMIHJDRBJB-UHFFFAOYSA-N	-1	0	388.793	0.695	20	5		GCBDRM
O=C(NCCS(=O)(=O)N1CCSCC1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000267978804	530671998	/nfs/dbraw/zinc/67/19/98/530671998.db2.gz	XMJHADPHWCPLIQ-UHFFFAOYSA-N	-1	0	375.428	0.409	20	5		GCBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC000591562781	530718385	/nfs/dbraw/zinc/71/83/85/530718385.db2.gz	XZZKKTFFRQYCPP-CABZTGNLSA-N	-1	0	388.423	0.786	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](CC2(OC)CCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000593278953	530798109	/nfs/dbraw/zinc/79/81/09/530798109.db2.gz	XWTVFNFHYMVBDY-SECBINFHSA-N	-1	0	376.391	0.502	20	5		GCBDRM
CCS(=O)(=O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000593312464	530800287	/nfs/dbraw/zinc/80/02/87/530800287.db2.gz	NAVBDDHAOQAXKJ-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)ccc1[N+](=O)[O-]	ZINC000349463091	530806386	/nfs/dbraw/zinc/80/63/86/530806386.db2.gz	ISVNLYGURGQBFN-UHFFFAOYSA-N	-1	0	394.431	0.397	20	5		GCBDRM
CNS(=O)(=O)c1ccc(N2CCSC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000592985007	530789392	/nfs/dbraw/zinc/78/93/92/530789392.db2.gz	ZLYPPYQZLSIGBS-SECBINFHSA-N	-1	0	375.428	0.757	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-]	ZINC000521231328	530848039	/nfs/dbraw/zinc/84/80/39/530848039.db2.gz	FLZPZDYLCYSXKM-UHFFFAOYSA-N	-1	0	378.384	0.021	20	5		GCBDRM
O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000275112817	530900153	/nfs/dbraw/zinc/90/01/53/530900153.db2.gz	SBDHHLPMZKNWKR-QMMMGPOBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([O-])[C@@H](O)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000274900420	530905712	/nfs/dbraw/zinc/90/57/12/530905712.db2.gz	HZQLSEGJXSXCPH-VIFPVBQESA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([O-])CSCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000275074505	530906086	/nfs/dbraw/zinc/90/60/86/530906086.db2.gz	XHKSAHTZTRUYBA-UHFFFAOYSA-N	-1	0	378.384	0.462	20	5		GCBDRM
O=C([O-])[C@H](CCO)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000275027886	530906279	/nfs/dbraw/zinc/90/62/79/530906279.db2.gz	FHMRMEJREZVCGD-ZETCQYMHSA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000274999375	530906493	/nfs/dbraw/zinc/90/64/93/530906493.db2.gz	NWCGECFBYVKVLY-SNVBAGLBSA-N	-1	0	393.805	0.312	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000274919120	530906529	/nfs/dbraw/zinc/90/65/29/530906529.db2.gz	AQMIJEZWCMFXEG-VIFPVBQESA-N	-1	0	376.368	0.530	20	5		GCBDRM
NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275169968	530907112	/nfs/dbraw/zinc/90/71/12/530907112.db2.gz	VGXMSXNRLQZLRC-XVKPBYJWSA-N	-1	0	391.789	0.587	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000275207792	530907213	/nfs/dbraw/zinc/90/72/13/530907213.db2.gz	ZMEUBOWFFHWCQW-SNVBAGLBSA-N	-1	0	392.411	0.166	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC000275176654	530907253	/nfs/dbraw/zinc/90/72/53/530907253.db2.gz	WDGJKWSVVMWZLI-NSHDSACASA-N	-1	0	392.411	0.030	20	5		GCBDRM
O=[N+]([O-])c1ccc([O-])cc1CS(=O)(=O)Cc1nnn(CC(F)(F)F)n1	ZINC000594687625	530876383	/nfs/dbraw/zinc/87/63/83/530876383.db2.gz	VWVRNWKHGQEHCM-UHFFFAOYSA-N	-1	0	381.292	0.964	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N(CCSC)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000594683268	530876669	/nfs/dbraw/zinc/87/66/69/530876669.db2.gz	VILMIPKOCBYYEM-UHFFFAOYSA-N	-1	0	392.411	0.820	20	5		GCBDRM
CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1	ZINC000525699400	530880545	/nfs/dbraw/zinc/88/05/45/530880545.db2.gz	BMIVDRNFVXRIPJ-UHFFFAOYSA-N	-1	0	392.440	0.438	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2scnc2C)c([N+](=O)[O-])n1	ZINC000526059526	530882157	/nfs/dbraw/zinc/88/21/57/530882157.db2.gz	WYJLJZITVVQDJU-QMMMGPOBSA-N	-1	0	375.388	0.680	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000548573627	530883001	/nfs/dbraw/zinc/88/30/01/530883001.db2.gz	NDTJTNOIMCBMTM-APPZFPTMSA-N	-1	0	377.400	0.304	20	5		GCBDRM
O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548585857	530883139	/nfs/dbraw/zinc/88/31/39/530883139.db2.gz	QKQNWMGGOYGORP-GTUYJWLHSA-N	-1	0	382.803	0.454	20	5		GCBDRM
Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1nnn[n-]1	ZINC000619775898	530883681	/nfs/dbraw/zinc/88/36/81/530883681.db2.gz	UZLIFIOOFWSHHK-UHFFFAOYSA-N	-1	0	388.125	0.951	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000370544288	530888154	/nfs/dbraw/zinc/88/81/54/530888154.db2.gz	REJFWLRTCCCRSR-SECBINFHSA-N	-1	0	395.187	0.831	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1C	ZINC000424367739	530889162	/nfs/dbraw/zinc/88/91/62/530889162.db2.gz	NPVGGRRIWLZXIT-LBPRGKRZSA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1C	ZINC000424366481	530889526	/nfs/dbraw/zinc/88/95/26/530889526.db2.gz	JAMJXJPBVVOQHF-NSHDSACASA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424369254	530889572	/nfs/dbraw/zinc/88/95/72/530889572.db2.gz	RCAYNDRGEZKFIS-LLVKDONJSA-N	-1	0	392.411	0.084	20	5		GCBDRM
CC1(c2nc(=NC(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)s[n-]2)CC1	ZINC000600227850	530930875	/nfs/dbraw/zinc/93/08/75/530930875.db2.gz	NWSZHMMTOOKTNT-UHFFFAOYSA-N	-1	0	383.411	0.819	20	5		GCBDRM
Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000600649438	530931172	/nfs/dbraw/zinc/93/11/72/530931172.db2.gz	ULWNIVNPBBUNQC-UHFFFAOYSA-N	-1	0	389.415	0.809	20	5		GCBDRM
COc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000600667893	530931348	/nfs/dbraw/zinc/93/13/48/530931348.db2.gz	FSEHDJRUXLWXPK-UHFFFAOYSA-N	-1	0	390.399	0.541	20	5		GCBDRM
CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1	ZINC000600634185	530931356	/nfs/dbraw/zinc/93/13/56/530931356.db2.gz	DDXYSUPITWSNHW-UHFFFAOYSA-N	-1	0	389.415	0.379	20	5		GCBDRM
CCNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600639255	530931508	/nfs/dbraw/zinc/93/15/08/530931508.db2.gz	PUEIKTIYCDGGNU-UHFFFAOYSA-N	-1	0	389.415	0.427	20	5		GCBDRM
COCc1nc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)OC	ZINC000600666782	530931542	/nfs/dbraw/zinc/93/15/42/530931542.db2.gz	FDPUNAWIJRLFSB-UHFFFAOYSA-N	-1	0	391.387	0.519	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000277273196	530913052	/nfs/dbraw/zinc/91/30/52/530913052.db2.gz	JMDZTYOBWNGOAJ-UHFFFAOYSA-N	-1	0	389.777	0.825	20	5		GCBDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	ZINC000277319462	530913283	/nfs/dbraw/zinc/91/32/83/530913283.db2.gz	UEHDHZKHAJJHHQ-MRVPVSSYSA-N	-1	0	380.350	0.853	20	5		GCBDRM
CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000278138144	530915964	/nfs/dbraw/zinc/91/59/64/530915964.db2.gz	NEVOUJWIONGREV-JTQLQIEISA-N	-1	0	378.334	0.809	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1C	ZINC000274995250	530919212	/nfs/dbraw/zinc/91/92/12/530919212.db2.gz	FQDCNRQWZJGFMX-NSHDSACASA-N	-1	0	392.411	0.084	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-]	ZINC000619470513	530920278	/nfs/dbraw/zinc/92/02/78/530920278.db2.gz	ZLHOSZDFBQTIEC-QMMMGPOBSA-N	-1	0	376.343	0.288	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	ZINC000282323960	530923479	/nfs/dbraw/zinc/92/34/79/530923479.db2.gz	UYUIJBQRRDWZPM-UHFFFAOYSA-N	-1	0	381.769	0.512	20	5		GCBDRM
COc1ccc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000603632051	530935302	/nfs/dbraw/zinc/93/53/02/530935302.db2.gz	MAOQWBPOGOOJKA-UHFFFAOYSA-N	-1	0	381.432	0.163	20	5		GCBDRM
CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603583590	530935568	/nfs/dbraw/zinc/93/55/68/530935568.db2.gz	MECUDQIJCOHFLC-UHFFFAOYSA-N	-1	0	381.432	0.297	20	5		GCBDRM
O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000505172333	530938402	/nfs/dbraw/zinc/93/84/02/530938402.db2.gz	BTCRKUIQRJQRQZ-JTQLQIEISA-N	-1	0	386.407	0.927	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1	ZINC000505843491	530939372	/nfs/dbraw/zinc/93/93/72/530939372.db2.gz	YWXWYIRYUXSRPJ-MRVPVSSYSA-N	-1	0	392.411	0.537	20	5		GCBDRM
O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000274948002	530950790	/nfs/dbraw/zinc/95/07/90/530950790.db2.gz	SBDHHLPMZKNWKR-MRVPVSSYSA-N	-1	0	383.176	0.471	20	5		GCBDRM
NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000597737215	530955075	/nfs/dbraw/zinc/95/50/75/530955075.db2.gz	QDGMZRHHXYIZEF-VIFPVBQESA-N	-1	0	392.821	0.742	20	5		GCBDRM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1	ZINC000461109276	530983334	/nfs/dbraw/zinc/98/33/34/530983334.db2.gz	SJXYSIFWGVZSJV-UHFFFAOYSA-N	-1	0	386.411	0.463	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275333738	530992809	/nfs/dbraw/zinc/99/28/09/530992809.db2.gz	UJLOMDCVTDBSDH-VIFPVBQESA-N	-1	0	383.176	0.390	20	5		GCBDRM
O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000547928597	531020668	/nfs/dbraw/zinc/02/06/68/531020668.db2.gz	HUSYWARXRFXSFS-AUADJRAKSA-N	-1	0	382.803	0.454	20	5		GCBDRM
O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000547928598	531020904	/nfs/dbraw/zinc/02/09/04/531020904.db2.gz	HUSYWARXRFXSFS-CLTRCRFRSA-N	-1	0	382.803	0.454	20	5		GCBDRM
C[C@@](O)(CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263515683	531003503	/nfs/dbraw/zinc/00/35/03/531003503.db2.gz	ZRINOWSSFFFCHT-SNVBAGLBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000270355052	531086580	/nfs/dbraw/zinc/08/65/80/531086580.db2.gz	DLSUGBIVJJPBBH-PELKAZGASA-N	-1	0	378.428	0.757	20	5		GCBDRM
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000548225920	531088765	/nfs/dbraw/zinc/08/87/65/531088765.db2.gz	RAKIAVFJOQSOBM-VXNVDRBHSA-N	-1	0	390.395	0.903	20	5		GCBDRM
NS(=O)(=O)NC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000600562348	531110080	/nfs/dbraw/zinc/11/00/80/531110080.db2.gz	DPIDAWQORLLRAD-UHFFFAOYSA-N	-1	0	378.794	0.352	20	5		GCBDRM
NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000586660654	531166420	/nfs/dbraw/zinc/16/64/20/531166420.db2.gz	IQKYQLOGSHCRMG-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000586660638	531166796	/nfs/dbraw/zinc/16/67/96/531166796.db2.gz	IHSUOJDIRIIQGE-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000262477799	596988778	/nfs/dbraw/zinc/98/87/78/596988778.db2.gz	CKTNTWIUEJLARO-NSHDSACASA-N	-1	0	399.425	0.893	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cn2)cc1[N+](=O)[O-]	ZINC000821845264	599234418	/nfs/dbraw/zinc/23/44/18/599234418.db2.gz	DVGYKKMSCFOTLV-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
COCCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000610891076	597004205	/nfs/dbraw/zinc/00/42/05/597004205.db2.gz	SNCMVUVABCMHQN-JTQLQIEISA-N	-1	0	385.398	0.821	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000262910777	597458179	/nfs/dbraw/zinc/45/81/79/597458179.db2.gz	SBYUUUPSSACYDP-NSHDSACASA-N	-1	0	378.385	0.808	20	5		GCBDRM
C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262732018	597466869	/nfs/dbraw/zinc/46/68/69/597466869.db2.gz	CEFKELSVQVJBET-ZWNOBZJWSA-N	-1	0	385.398	0.679	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](C)C(=O)[O-]	ZINC000272628644	597689007	/nfs/dbraw/zinc/68/90/07/597689007.db2.gz	LHXWCOBTDFTGDG-VIFPVBQESA-N	-1	0	390.352	0.900	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000262449307	597698844	/nfs/dbraw/zinc/69/88/44/597698844.db2.gz	QTFQIRJBWPAGDE-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000275161440	597699566	/nfs/dbraw/zinc/69/95/66/597699566.db2.gz	UBWXOCKAJBUDNK-VIFPVBQESA-N	-1	0	389.386	0.203	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000787943305	597699592	/nfs/dbraw/zinc/69/95/92/597699592.db2.gz	HMFJTAMWBIDSPD-SECBINFHSA-N	-1	0	391.377	0.642	20	5		GCBDRM
CCc1nn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)c(-c2nnn[n-]2)c1CC	ZINC000736706420	598377582	/nfs/dbraw/zinc/37/75/82/598377582.db2.gz	LHPABYNMYFZSOL-UHFFFAOYSA-N	-1	0	398.383	0.604	20	5		GCBDRM
COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821659165	607390676	/nfs/dbraw/zinc/39/06/76/607390676.db2.gz	UCOUFFPBMLIRPE-VIFPVBQESA-N	-1	0	396.385	0.491	20	5		GCBDRM
C[C@H](CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000262564263	599773566	/nfs/dbraw/zinc/77/35/66/599773566.db2.gz	ZPRAVZGOXURDGX-BXUZGUMPSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])[C@@H](C)N1CCOCC1	ZINC000736672006	599778465	/nfs/dbraw/zinc/77/84/65/599778465.db2.gz	OGSAEQJNYAVSHZ-VXGBXAGGSA-N	-1	0	380.401	0.930	20	5		GCBDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000736371682	599820277	/nfs/dbraw/zinc/82/02/77/599820277.db2.gz	VKNFQOVZXORIBZ-GFCCVEGCSA-N	-1	0	388.402	0.282	20	5		GCBDRM
CC(C)(NC(=O)[O-])C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000736331995	599863290	/nfs/dbraw/zinc/86/32/90/599863290.db2.gz	DCUFOFKDJIDRIL-UHFFFAOYSA-N	-1	0	394.384	0.833	20	5		GCBDRM
C[C@@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)NCC(=O)[O-]	ZINC000736693689	599876759	/nfs/dbraw/zinc/87/67/59/599876759.db2.gz	RCYFKHKRKCLWHM-SSDOTTSWSA-N	-1	0	387.732	0.111	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC	ZINC000263021330	599944360	/nfs/dbraw/zinc/94/43/60/599944360.db2.gz	SODWXFYFBYEQIG-AWEZNQCLSA-N	-1	0	384.341	0.554	20	5		GCBDRM
CCc1nnc2n1CCN(c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000737288898	599967561	/nfs/dbraw/zinc/96/75/61/599967561.db2.gz	YYSMUKRZTWSZSO-SNVBAGLBSA-N	-1	0	388.384	0.972	20	5		GCBDRM
O=C([O-])[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1	ZINC000738549612	599977784	/nfs/dbraw/zinc/97/77/84/599977784.db2.gz	VVCXMKBJWRTEAJ-HNNXBMFYSA-N	-1	0	378.385	0.029	20	5		GCBDRM
CN(C(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000737327684	600031333	/nfs/dbraw/zinc/03/13/33/600031333.db2.gz	USKZMXVTURTLTP-UHFFFAOYSA-N	-1	0	386.324	0.249	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000738177124	600062471	/nfs/dbraw/zinc/06/24/71/600062471.db2.gz	LMKIWVWHNUGPQR-NWDGAFQWSA-N	-1	0	397.409	0.368	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000738177123	600062610	/nfs/dbraw/zinc/06/26/10/600062610.db2.gz	LMKIWVWHNUGPQR-NEPJUHHUSA-N	-1	0	397.409	0.368	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000262599149	600102882	/nfs/dbraw/zinc/10/28/82/600102882.db2.gz	JLLOUXXMTUJXFD-CHWSQXEVSA-N	-1	0	383.382	0.148	20	5		GCBDRM
CN(C(=O)CN(CCN1CCOCC1)CC(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000737324522	600145562	/nfs/dbraw/zinc/14/55/62/600145562.db2.gz	RLXIBLJJSGSFND-UHFFFAOYSA-N	-1	0	380.401	0.276	20	5		GCBDRM
CCOC(=O)c1cnn(C)c1NC(=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000737154822	600165190	/nfs/dbraw/zinc/16/51/90/600165190.db2.gz	LIYROANAHUVFGP-UHFFFAOYSA-N	-1	0	393.312	0.004	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NC[C@H](O)C2CCOCC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655480	600259667	/nfs/dbraw/zinc/25/96/67/600259667.db2.gz	DEIPSIBYCNZDAB-BONVTDFDSA-N	-1	0	381.385	0.997	20	5		GCBDRM
O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1	ZINC000422651845	600309522	/nfs/dbraw/zinc/30/95/22/600309522.db2.gz	FLHGAYJXTVJWRX-SECBINFHSA-N	-1	0	379.325	0.628	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000739792077	600317300	/nfs/dbraw/zinc/31/73/00/600317300.db2.gz	SAOMTRNNKKORHR-UHFFFAOYSA-N	-1	0	392.412	0.203	20	5		GCBDRM
C[C@@H](CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1	ZINC000736607260	600365343	/nfs/dbraw/zinc/36/53/43/600365343.db2.gz	RYUJRQPNMQKSTI-LBPRGKRZSA-N	-1	0	380.401	0.789	20	5		GCBDRM
CC[C@@H](C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736880408	600368039	/nfs/dbraw/zinc/36/80/39/600368039.db2.gz	WGXUSFZTPONPTI-QMTHXVAHSA-N	-1	0	387.414	0.831	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262635463	600377573	/nfs/dbraw/zinc/37/75/73/600377573.db2.gz	GANSHIMAIXPQOA-LLVKDONJSA-N	-1	0	385.398	0.539	20	5		GCBDRM
CN(CC(=O)Nc1ccn(CC(=O)[O-])n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737399226	600378130	/nfs/dbraw/zinc/37/81/30/600378130.db2.gz	DXZGRQUVBPIABC-UHFFFAOYSA-N	-1	0	397.369	0.135	20	5		GCBDRM
Cc1cc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000738475132	600414602	/nfs/dbraw/zinc/41/46/02/600414602.db2.gz	YOVBPTYUTCILJU-UHFFFAOYSA-N	-1	0	387.414	0.311	20	5		GCBDRM
CN(CCCNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)S(C)(=O)=O	ZINC000737439213	600440426	/nfs/dbraw/zinc/44/04/26/600440426.db2.gz	GYBVZHAOXHSTMV-UHFFFAOYSA-N	-1	0	389.386	0.070	20	5		GCBDRM
O=C([O-])c1ccc(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1	ZINC000739252055	600497857	/nfs/dbraw/zinc/49/78/57/600497857.db2.gz	SPPVXJLDEAEVFC-UHFFFAOYSA-N	-1	0	397.365	0.871	20	5		GCBDRM
O=C([O-])Cn1cc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000739900267	600531696	/nfs/dbraw/zinc/53/16/96/600531696.db2.gz	KYIZHSRMAJNFJI-UHFFFAOYSA-N	-1	0	397.369	0.183	20	5		GCBDRM
O=C([O-])Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n[nH]1	ZINC000739911185	600536847	/nfs/dbraw/zinc/53/68/47/600536847.db2.gz	XZKAETJEIWMPER-UHFFFAOYSA-N	-1	0	376.329	0.429	20	5		GCBDRM
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000739634997	600547701	/nfs/dbraw/zinc/54/77/01/600547701.db2.gz	PTPSUDSIZCXTRS-SNVBAGLBSA-N	-1	0	386.158	0.773	20	5		GCBDRM
CC(C)N(CCC(=O)[O-])C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000736461302	600596361	/nfs/dbraw/zinc/59/63/61/600596361.db2.gz	LMWSANYJDMLSGB-UHFFFAOYSA-N	-1	0	387.414	0.975	20	5		GCBDRM
O=C([O-])C[C@H]1CSCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000739647519	600671878	/nfs/dbraw/zinc/67/18/78/600671878.db2.gz	GXYLBSGMNSHYIL-VIFPVBQESA-N	-1	0	393.377	0.610	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000739787271	600675384	/nfs/dbraw/zinc/67/53/84/600675384.db2.gz	ZJODWBKSGMXJBI-UHFFFAOYSA-N	-1	0	395.368	0.225	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657071	600709734	/nfs/dbraw/zinc/70/97/34/600709734.db2.gz	NNILETGLKRFRGE-GHMZBOCLSA-N	-1	0	399.425	0.669	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657072	600709797	/nfs/dbraw/zinc/70/97/97/600709797.db2.gz	NNILETGLKRFRGE-MNOVXSKESA-N	-1	0	399.425	0.669	20	5		GCBDRM
COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000831444433	600712679	/nfs/dbraw/zinc/71/26/79/600712679.db2.gz	BNORVRRBYOPXKD-UHFFFAOYSA-N	-1	0	385.310	0.430	20	5		GCBDRM
Cc1ccc(NCCCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000564920139	600756259	/nfs/dbraw/zinc/75/62/59/600756259.db2.gz	SBYHPXFGYIQHGR-UHFFFAOYSA-N	-1	0	397.413	0.965	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000833251975	600804089	/nfs/dbraw/zinc/80/40/89/600804089.db2.gz	AZDQEOICRLQTRV-ZDUSSCGKSA-N	-1	0	377.275	0.913	20	5		GCBDRM
O=C([O-])[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000262173100	600823785	/nfs/dbraw/zinc/82/37/85/600823785.db2.gz	VKVOEKRWEDSNJX-LBPRGKRZSA-N	-1	0	399.425	0.917	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NCc2nnnn2C2CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703877	600824828	/nfs/dbraw/zinc/82/48/28/600824828.db2.gz	SRTHTVRLMCIXNA-MRVPVSSYSA-N	-1	0	375.345	0.731	20	5		GCBDRM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000272445023	600909756	/nfs/dbraw/zinc/90/97/56/600909756.db2.gz	FJVZWEDBFVPVPL-NEPJUHHUSA-N	-1	0	399.425	0.880	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc([N+](=O)[O-])c1	ZINC000532004703	600956158	/nfs/dbraw/zinc/95/61/58/600956158.db2.gz	IGKVBHHIQRZDJM-UHFFFAOYSA-N	-1	0	386.382	0.704	20	5		GCBDRM
O=C([O-])CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCOCC1	ZINC000532005116	600958706	/nfs/dbraw/zinc/95/87/06/600958706.db2.gz	RMWHSOHYNSPELO-UHFFFAOYSA-N	-1	0	375.341	0.881	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCN1CCOCC1)CC(=O)[O-]	ZINC000832905216	601007239	/nfs/dbraw/zinc/00/72/39/601007239.db2.gz	HZQNOZOFXXRKPV-UHFFFAOYSA-N	-1	0	380.401	0.561	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc([N+](=O)[O-])c1	ZINC000833360374	601095601	/nfs/dbraw/zinc/09/56/01/601095601.db2.gz	GZOXEIAAULKREY-HWPZZCPQSA-N	-1	0	376.325	0.401	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@H](OC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000833122529	601098389	/nfs/dbraw/zinc/09/83/89/601098389.db2.gz	FFXNDFWSVXXICC-JTQLQIEISA-N	-1	0	380.338	0.900	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC000832097572	601258462	/nfs/dbraw/zinc/25/84/62/601258462.db2.gz	HIDAUKJJKIDEJA-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000581069300	601266163	/nfs/dbraw/zinc/26/61/63/601266163.db2.gz	HLQPZUFUUQQKHE-AWEZNQCLSA-N	-1	0	390.370	0.524	20	5		GCBDRM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000263067187	601331254	/nfs/dbraw/zinc/33/12/54/601331254.db2.gz	IYMRSEBKXJWQOU-UHFFFAOYSA-N	-1	0	385.398	0.539	20	5		GCBDRM
O=C([O-])CCc1nc(COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1	ZINC000833241303	601339983	/nfs/dbraw/zinc/33/99/83/601339983.db2.gz	GCIUQJNSXZKZHH-UHFFFAOYSA-N	-1	0	388.296	0.933	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N[C@@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702956	601380662	/nfs/dbraw/zinc/38/06/62/601380662.db2.gz	DWVZGMSJKGEPHN-MWLCHTKSSA-N	-1	0	376.369	0.973	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1	ZINC000578984980	601398107	/nfs/dbraw/zinc/39/81/07/601398107.db2.gz	MTHBQFHCFLTRPX-SECBINFHSA-N	-1	0	388.354	0.230	20	5		GCBDRM
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1=O	ZINC000830908470	601427132	/nfs/dbraw/zinc/42/71/32/601427132.db2.gz	WTBHFRBFHWWMPB-APPDUMDISA-N	-1	0	390.352	0.743	20	5		GCBDRM
CN(CC(=O)NC1(CC(=O)[O-])CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000593923656	601436870	/nfs/dbraw/zinc/43/68/70/601436870.db2.gz	UWGBZMSTTGRFRZ-UHFFFAOYSA-N	-1	0	385.398	0.729	20	5		GCBDRM
O=C([O-])c1nscc1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000833344823	601571212	/nfs/dbraw/zinc/57/12/12/601571212.db2.gz	CMZJPGAOUYZPEA-UHFFFAOYSA-N	-1	0	399.410	0.655	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1OC	ZINC000831774076	601607248	/nfs/dbraw/zinc/60/72/48/601607248.db2.gz	MVVUXCAXYFRHKC-GFCCVEGCSA-N	-1	0	384.341	0.554	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1OC	ZINC000262744092	601669277	/nfs/dbraw/zinc/66/92/77/601669277.db2.gz	JQPGPYCHZOVEKM-NSHDSACASA-N	-1	0	398.368	0.944	20	5		GCBDRM
CC(C)(CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000826580263	601684205	/nfs/dbraw/zinc/68/42/05/601684205.db2.gz	INOAONGKDPVBNF-UHFFFAOYSA-N	-1	0	388.402	0.283	20	5		GCBDRM
CC(C)(CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000826559401	601711752	/nfs/dbraw/zinc/71/17/52/601711752.db2.gz	XTEZDXUVXHYKJS-ZDUSSCGKSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CCOc1ccc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cc1[N+](=O)[O-]	ZINC000830059798	601716333	/nfs/dbraw/zinc/71/63/33/601716333.db2.gz	QEBJXNKMXYGPRM-UHFFFAOYSA-N	-1	0	386.382	0.755	20	5		GCBDRM
O=C([O-])C1(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)CC1	ZINC000833122581	601719923	/nfs/dbraw/zinc/71/99/23/601719923.db2.gz	NZXDWWFBURDEKH-UHFFFAOYSA-N	-1	0	396.381	0.093	20	5		GCBDRM
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@]1(C(=O)[O-])CCOC1	ZINC000611464273	601736375	/nfs/dbraw/zinc/73/63/75/601736375.db2.gz	MANFKSRRLOGKEG-INIZCTEOSA-N	-1	0	379.325	0.643	20	5		GCBDRM
O=C([O-])[C@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCOC1	ZINC000833128764	601737037	/nfs/dbraw/zinc/73/70/37/601737037.db2.gz	MNKNMCGWUGVYLB-FVMDXXJSSA-N	-1	0	381.316	0.447	20	5		GCBDRM
NS(=O)(=O)c1ccc(NCCC(=O)N(CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1	ZINC000833088738	601745600	/nfs/dbraw/zinc/74/56/00/601745600.db2.gz	DXFKVCUKBWOFNY-UHFFFAOYSA-N	-1	0	386.386	0.120	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832695416	601748897	/nfs/dbraw/zinc/74/88/97/601748897.db2.gz	PUSCGONTBDKGQS-ZANVPECISA-N	-1	0	385.398	0.741	20	5		GCBDRM
CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000592379172	601749798	/nfs/dbraw/zinc/74/97/98/601749798.db2.gz	IUNPMFUZOSSWQD-RISCZKNCSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC000828333228	601758362	/nfs/dbraw/zinc/75/83/62/601758362.db2.gz	FDJAEXNPODWGHL-MFKMUULPSA-N	-1	0	385.398	0.442	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1	ZINC000825847384	602007138	/nfs/dbraw/zinc/00/71/38/602007138.db2.gz	QUVITZFFZJLDKY-MNOVXSKESA-N	-1	0	378.385	0.855	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCN3C(=O)OC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703011	602014065	/nfs/dbraw/zinc/01/40/65/602014065.db2.gz	GXHWLNKBNKPVRL-ONGXEEELSA-N	-1	0	378.341	0.439	20	5		GCBDRM
CN(C)C(=O)CCN1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000830547032	602139099	/nfs/dbraw/zinc/13/90/99/602139099.db2.gz	CCQDTKDWEWZWLJ-UHFFFAOYSA-N	-1	0	395.372	0.802	20	5		GCBDRM
Cc1cc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832891358	602313827	/nfs/dbraw/zinc/31/38/27/602313827.db2.gz	RMDYWVLIHJSNSQ-UHFFFAOYSA-N	-1	0	390.396	0.872	20	5		GCBDRM
Cn1cc(NC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000833049365	602355247	/nfs/dbraw/zinc/35/52/47/602355247.db2.gz	UHOFBNCSRKINPR-GXTWGEPZSA-N	-1	0	378.341	0.848	20	5		GCBDRM
CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825839509	607580238	/nfs/dbraw/zinc/58/02/38/607580238.db2.gz	HSHATAOLHAXLTP-SNVBAGLBSA-N	-1	0	395.401	0.016	20	5		GCBDRM
COC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCC1	ZINC000826124079	607583504	/nfs/dbraw/zinc/58/35/04/607583504.db2.gz	NUBMGPYNWWTIBU-UHFFFAOYSA-N	-1	0	396.385	0.539	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2cccn2)c1-c1nnn[n-]1	ZINC000826500081	607584722	/nfs/dbraw/zinc/58/47/22/607584722.db2.gz	KLMKWHLUQBMYGR-UHFFFAOYSA-N	-1	0	378.374	0.340	20	5		GCBDRM
NC(=O)c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000826393709	607585781	/nfs/dbraw/zinc/58/57/81/607585781.db2.gz	GAWOUAQBWNFQHF-UHFFFAOYSA-N	-1	0	390.337	0.642	20	5		GCBDRM
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)Cn1cccn1	ZINC000824427782	607590146	/nfs/dbraw/zinc/59/01/46/607590146.db2.gz	OWBAGAAQTKGNFN-SNVBAGLBSA-N	-1	0	392.401	0.586	20	5		GCBDRM
CC(C)N1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1=O	ZINC000824296931	607602789	/nfs/dbraw/zinc/60/27/89/607602789.db2.gz	MGGGPUJTUPTXTI-VIFPVBQESA-N	-1	0	395.401	0.063	20	5		GCBDRM
COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000826133750	607604929	/nfs/dbraw/zinc/60/49/29/607604929.db2.gz	OXNXQTAPMMMONO-SECBINFHSA-N	-1	0	396.385	0.349	20	5		GCBDRM
CCc1nc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)no1	ZINC000825744943	607610061	/nfs/dbraw/zinc/61/00/61/607610061.db2.gz	HEQLTJFRMSNUIZ-UHFFFAOYSA-N	-1	0	394.373	0.241	20	5		GCBDRM
CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825486653	607612745	/nfs/dbraw/zinc/61/27/45/607612745.db2.gz	VDWUWDCWUKGNGP-QMMMGPOBSA-N	-1	0	384.374	0.347	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@H]2CCOC2)c1-c1nnn[n-]1	ZINC000826499907	607614054	/nfs/dbraw/zinc/61/40/54/607614054.db2.gz	DLJVCLNJOWRMJR-JTQLQIEISA-N	-1	0	398.401	0.106	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCSCC2)c1-c1nnn[n-]1	ZINC000826499962	607614179	/nfs/dbraw/zinc/61/41/79/607614179.db2.gz	GMFAQNJPBVKJNO-UHFFFAOYSA-N	-1	0	399.458	0.102	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2cccnc2)c1-c1nnn[n-]1	ZINC000826500312	607617835	/nfs/dbraw/zinc/61/78/35/607617835.db2.gz	TTWQZHYDJWEKLD-UHFFFAOYSA-N	-1	0	391.369	0.527	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@H]2CCCO2)c1-c1nnn[n-]1	ZINC000826500324	607618024	/nfs/dbraw/zinc/61/80/24/607618024.db2.gz	UENWYSQNZFYEJA-SNVBAGLBSA-N	-1	0	398.401	0.249	20	5		GCBDRM
Cc1cnn(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1	ZINC000826320269	607618949	/nfs/dbraw/zinc/61/89/49/607618949.db2.gz	LBGIZSZSNBXRGB-UHFFFAOYSA-N	-1	0	378.374	0.258	20	5		GCBDRM
COC(=O)[C@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C1CC1	ZINC000826098519	607619538	/nfs/dbraw/zinc/61/95/38/607619538.db2.gz	HKTLTRXADHIJKV-CQSZACIVSA-N	-1	0	396.385	0.395	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)c1-c1nnn[n-]1	ZINC000826499855	607627188	/nfs/dbraw/zinc/62/71/88/607627188.db2.gz	AULGXWFPPGEFOK-LBPRGKRZSA-N	-1	0	396.429	0.994	20	5		GCBDRM
C[C@H](O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000824690959	607630841	/nfs/dbraw/zinc/63/08/41/607630841.db2.gz	WRCUNOWUOPGYDI-VIFPVBQESA-N	-1	0	382.402	0.556	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c1-c1nnn[n-]1	ZINC000826499990	607643459	/nfs/dbraw/zinc/64/34/59/607643459.db2.gz	HJFSYJJIKCDFEV-ONGXEEELSA-N	-1	0	382.402	0.604	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)c1-c1nnn[n-]1	ZINC000826500486	607646306	/nfs/dbraw/zinc/64/63/06/607646306.db2.gz	ZSGUMVNSJRRMNZ-ZJUUUORDSA-N	-1	0	382.402	0.604	20	5		GCBDRM
Cc1c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000829851290	603799742	/nfs/dbraw/zinc/79/97/42/603799742.db2.gz	YVSXOHAXMQIAGR-SECBINFHSA-N	-1	0	386.386	0.423	20	5		GCBDRM
C[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCC[C@@H]1O	ZINC000824823728	607660706	/nfs/dbraw/zinc/66/07/06/607660706.db2.gz	OENXXYDGXZNHIS-SWLSCSKDSA-N	-1	0	396.429	0.994	20	5		GCBDRM
C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824442115	607666507	/nfs/dbraw/zinc/66/65/07/607666507.db2.gz	UPPHQCZJESFLIX-VHSXEESVSA-N	-1	0	398.401	0.247	20	5		GCBDRM
CO[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1(C)C	ZINC000826144511	607667455	/nfs/dbraw/zinc/66/74/55/607667455.db2.gz	LOOJGDJZLZWMRY-QWRGUYRKSA-N	-1	0	382.402	0.867	20	5		GCBDRM
C[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824402640	607670331	/nfs/dbraw/zinc/67/03/31/607670331.db2.gz	XNTCZWNSDLIZBY-UWVGGRQHSA-N	-1	0	382.402	0.868	20	5		GCBDRM
CC(C)(C)C[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824087375	607677893	/nfs/dbraw/zinc/67/78/93/607677893.db2.gz	UDFDFRHEWZTGGL-VIFPVBQESA-N	-1	0	384.418	0.850	20	5		GCBDRM
CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825833338	607678125	/nfs/dbraw/zinc/67/81/25/607678125.db2.gz	GKJHZNFVOINWBS-LLVKDONJSA-N	-1	0	384.418	0.802	20	5		GCBDRM
CCNC(=O)C(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825465316	607678156	/nfs/dbraw/zinc/67/81/56/607678156.db2.gz	KDIUYJPROFOWKD-UHFFFAOYSA-N	-1	0	397.417	0.216	20	5		GCBDRM
COC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCOCC1	ZINC000826144196	607680174	/nfs/dbraw/zinc/68/01/74/607680174.db2.gz	DHKQPTNQRCTRMO-UHFFFAOYSA-N	-1	0	398.401	0.249	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3c[nH]nc3C2)c1-c1nnn[n-]1	ZINC000826500140	607680763	/nfs/dbraw/zinc/68/07/63/607680763.db2.gz	MMQPOUCZXSDWPX-UHFFFAOYSA-N	-1	0	376.358	0.245	20	5		GCBDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000827001871	604443432	/nfs/dbraw/zinc/44/34/32/604443432.db2.gz	SFOQALHQYTUTBE-ZDUSSCGKSA-N	-1	0	395.368	0.657	20	5		GCBDRM
CCn1cc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccncc2)c([N+](=O)[O-])n1	ZINC000548225777	604509404	/nfs/dbraw/zinc/50/94/04/604509404.db2.gz	XTNXRQKMXJJMMX-UHFFFAOYSA-N	-1	0	383.386	0.872	20	5		GCBDRM
C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cn(CC(=O)[O-])nn1	ZINC000827844077	604687638	/nfs/dbraw/zinc/68/76/38/604687638.db2.gz	LZEOFKQATXJNCI-MRVPVSSYSA-N	-1	0	378.297	0.960	20	5		GCBDRM
O=C([O-])Cn1cc(CCOC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nn1	ZINC000833268941	604701115	/nfs/dbraw/zinc/70/11/15/604701115.db2.gz	CGZVSZVERKDFCU-UHFFFAOYSA-N	-1	0	386.324	0.856	20	5		GCBDRM
O=C([O-])Cn1cc(CCOC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nn1	ZINC000833268901	604701120	/nfs/dbraw/zinc/70/11/20/604701120.db2.gz	BTNNZCBMWUJKMU-UHFFFAOYSA-N	-1	0	386.324	0.856	20	5		GCBDRM
O=C([O-])Cn1cc(CCOC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nn1	ZINC000833270500	604704595	/nfs/dbraw/zinc/70/45/95/604704595.db2.gz	YGRXUFLMJQQURH-UHFFFAOYSA-N	-1	0	387.312	0.251	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC2CN(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000740054556	604776274	/nfs/dbraw/zinc/77/62/74/604776274.db2.gz	AQMBVKKIAOEXGN-CQSZACIVSA-N	-1	0	376.369	0.986	20	5		GCBDRM
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCc2cn(CC(=O)[O-])nn2)C1=O	ZINC000828121441	604777880	/nfs/dbraw/zinc/77/78/80/604777880.db2.gz	IDFDUMCDKVVYMW-MRXNPFEDSA-N	-1	0	388.340	0.281	20	5		GCBDRM
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCc2cn(CC(=O)[O-])nn2)C1=O	ZINC000828121196	604787420	/nfs/dbraw/zinc/78/74/20/604787420.db2.gz	GGVQXCGMRYIJJK-INIZCTEOSA-N	-1	0	388.340	0.281	20	5		GCBDRM
O=C([O-])COc1cccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1	ZINC000833262332	604878390	/nfs/dbraw/zinc/87/83/90/604878390.db2.gz	YCMUMHWBUSSFQS-UHFFFAOYSA-N	-1	0	377.313	0.010	20	5		GCBDRM
O=C([O-])CCc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000833238195	604878431	/nfs/dbraw/zinc/87/84/31/604878431.db2.gz	IFROGSFLQVKSNP-UHFFFAOYSA-N	-1	0	375.341	0.563	20	5		GCBDRM
O=C([O-])C1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCOCC1	ZINC000262831324	605096355	/nfs/dbraw/zinc/09/63/55/605096355.db2.gz	QYMVLCGNZUSEKH-UHFFFAOYSA-N	-1	0	375.341	0.787	20	5		GCBDRM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000833627599	605159333	/nfs/dbraw/zinc/15/93/33/605159333.db2.gz	ZHKNQABTLIXGPO-NSHDSACASA-N	-1	0	399.425	0.619	20	5		GCBDRM
COCCN1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833724800	605395932	/nfs/dbraw/zinc/39/59/32/605395932.db2.gz	SIKXHJUVZHKSSQ-LLVKDONJSA-N	-1	0	387.414	0.682	20	5		GCBDRM
C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1=O	ZINC000833605627	605397711	/nfs/dbraw/zinc/39/77/11/605397711.db2.gz	ROFFHIMVFCXHJG-KBVBSXBZSA-N	-1	0	383.382	0.581	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)[O-]	ZINC000833491051	605471339	/nfs/dbraw/zinc/47/13/39/605471339.db2.gz	XLXGBBKRSXVBHY-JTQLQIEISA-N	-1	0	381.341	0.669	20	5		GCBDRM
O=C([O-])c1cn(C2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)nn1	ZINC000780316969	605536943	/nfs/dbraw/zinc/53/69/43/605536943.db2.gz	CNLBISPHFWFCMH-UHFFFAOYSA-N	-1	0	384.312	0.162	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000833708696	605651613	/nfs/dbraw/zinc/65/16/13/605651613.db2.gz	QTCNLEQHMRXEHU-ZWNOBZJWSA-N	-1	0	396.352	0.847	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000833704451	605663389	/nfs/dbraw/zinc/66/33/89/605663389.db2.gz	HLEFJMFCGSITKW-RISCZKNCSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000833709708	605667516	/nfs/dbraw/zinc/66/75/16/605667516.db2.gz	UQSVRDUKLLDASO-VXGBXAGGSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000833704218	605771525	/nfs/dbraw/zinc/77/15/25/605771525.db2.gz	FREAEKSCZDHFAJ-DGCLKSJQSA-N	-1	0	394.336	0.651	20	5		GCBDRM
O=C(Cc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000823078172	606182326	/nfs/dbraw/zinc/18/23/26/606182326.db2.gz	HGQIVHAQTBFABU-UHFFFAOYSA-N	-1	0	389.353	0.218	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000822645731	606406390	/nfs/dbraw/zinc/40/63/90/606406390.db2.gz	MIDRNSWJQQMDMI-UHFFFAOYSA-N	-1	0	391.369	0.373	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000822645703	606406491	/nfs/dbraw/zinc/40/64/91/606406491.db2.gz	LHNGMHOVTZUMIW-UHFFFAOYSA-N	-1	0	377.342	0.232	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000822213203	606407249	/nfs/dbraw/zinc/40/72/49/606407249.db2.gz	YWGDWZCYNUEZNY-UHFFFAOYSA-N	-1	0	391.369	0.541	20	5		GCBDRM
CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821592392	606731297	/nfs/dbraw/zinc/73/12/97/606731297.db2.gz	DMABRFANPVPLPE-UHFFFAOYSA-N	-1	0	397.417	0.310	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1-c1nnn[n-]1	ZINC000823647522	606733676	/nfs/dbraw/zinc/73/36/76/606733676.db2.gz	LJIHORYRYIABPX-NSHDSACASA-N	-1	0	393.429	0.634	20	5		GCBDRM
COC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000821683431	606734740	/nfs/dbraw/zinc/73/47/40/606734740.db2.gz	AKSHSDMXAGDZQP-SNVBAGLBSA-N	-1	0	382.402	0.822	20	5		GCBDRM
CN(CCn1cccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821607244	606735151	/nfs/dbraw/zinc/73/51/51/606735151.db2.gz	FVOYQGVLYDKOLR-UHFFFAOYSA-N	-1	0	378.374	0.292	20	5		GCBDRM
NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000822890077	606981204	/nfs/dbraw/zinc/98/12/04/606981204.db2.gz	LSNLNDOAJUVRBG-UHFFFAOYSA-N	-1	0	395.382	0.736	20	5		GCBDRM
O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000823127072	607239356	/nfs/dbraw/zinc/23/93/56/607239356.db2.gz	RTYYOZXVCQVCFS-AWEZNQCLSA-N	-1	0	387.385	0.641	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)c1-c1nnn[n-]1	ZINC000826500461	607938605	/nfs/dbraw/zinc/93/86/05/607938605.db2.gz	ZBRZCMCVIPPVQI-LURJTMIESA-N	-1	0	396.307	0.367	20	5		GCBDRM
CC[C@]1(C)COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825164967	608155146	/nfs/dbraw/zinc/15/51/46/608155146.db2.gz	OGHJSLPSIDSCTE-CQSZACIVSA-N	-1	0	382.402	0.965	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC3(C2)OCCO3)c1-c1nnn[n-]1	ZINC000826500128	608342136	/nfs/dbraw/zinc/34/21/36/608342136.db2.gz	MGIORMCQAXRTPM-UHFFFAOYSA-N	-1	0	396.385	0.303	20	5		GCBDRM
C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824688461	608566190	/nfs/dbraw/zinc/56/61/90/608566190.db2.gz	IFJAGZJUMITJCV-SECBINFHSA-N	-1	0	384.418	0.850	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCn2ccnc2)c1-c1nnn[n-]1	ZINC000826500106	608566202	/nfs/dbraw/zinc/56/62/02/608566202.db2.gz	LENHGTFEHZMJBR-UHFFFAOYSA-N	-1	0	392.401	0.730	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccccn2)c1-c1nnn[n-]1	ZINC000826499870	608568041	/nfs/dbraw/zinc/56/80/41/608568041.db2.gz	BNUNCDUYFADTPG-NSHDSACASA-N	-1	0	391.369	0.182	20	5		GCBDRM
CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825901895	608568903	/nfs/dbraw/zinc/56/89/03/608568903.db2.gz	LMPSWQZTGFOGFF-MRVPVSSYSA-N	-1	0	396.307	0.319	20	5		GCBDRM
CN(C[C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825908534	609333676	/nfs/dbraw/zinc/33/36/76/609333676.db2.gz	JCDDTHOVONQTAA-JQWIXIFHSA-N	-1	0	396.429	0.947	20	5		GCBDRM
Cc1nnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)s1	ZINC000826335456	609587268	/nfs/dbraw/zinc/58/72/68/609587268.db2.gz	NVZXKZAEQHWHHJ-UHFFFAOYSA-N	-1	0	382.387	0.413	20	5		GCBDRM
C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1I)C(=O)[O-]	ZINC000262474400	639086085	/nfs/dbraw/zinc/08/60/85/639086085.db2.gz	ZNCPXDQMFGAWAP-NSHDSACASA-N	-1	0	394.121	0.765	20	5		GCBDRM
C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000263513751	639169271	/nfs/dbraw/zinc/16/92/71/639169271.db2.gz	YVIHEQWICUUTNZ-JTQLQIEISA-N	-1	0	383.176	0.471	20	5		GCBDRM
CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000733052928	639816805	/nfs/dbraw/zinc/81/68/05/639816805.db2.gz	AASXFURAUKCAMN-GFCCVEGCSA-N	-1	0	391.427	0.214	20	5		GCBDRM
O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000916754260	639834459	/nfs/dbraw/zinc/83/44/59/639834459.db2.gz	ULTKDJSAXINOIS-UHFFFAOYSA-N	-1	0	397.818	0.089	20	5		GCBDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000733716419	639981857	/nfs/dbraw/zinc/98/18/57/639981857.db2.gz	ILDCJHYHNSPHKD-MRVPVSSYSA-N	-1	0	391.427	0.267	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c([N+](=O)[O-])c1	ZINC000733723506	639985536	/nfs/dbraw/zinc/98/55/36/639985536.db2.gz	YGUHJSVEMMYJHM-SECBINFHSA-N	-1	0	389.411	0.021	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000734088931	639992613	/nfs/dbraw/zinc/99/26/13/639992613.db2.gz	FRZNCSHWTFPPGQ-UHFFFAOYSA-N	-1	0	376.391	0.197	20	5		GCBDRM
CN(CC(=O)NCCSCC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737393584	640148702	/nfs/dbraw/zinc/14/87/02/640148702.db2.gz	CPOIQDXHDJOATA-UHFFFAOYSA-N	-1	0	391.427	0.149	20	5		GCBDRM
COC(=O)CS(=O)(=O)[N-]C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	ZINC000838802301	640190027	/nfs/dbraw/zinc/19/00/27/640190027.db2.gz	RBSLUOFPJHWELQ-UHFFFAOYSA-N	-1	0	395.187	0.898	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccn(CCS(C)(=O)=O)n1	ZINC000741200379	640222129	/nfs/dbraw/zinc/22/21/29/640222129.db2.gz	BOQBOCUDMIMXRZ-UHFFFAOYSA-N	-1	0	388.427	0.945	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCS(C)(=O)=O)n1	ZINC000741200883	640222630	/nfs/dbraw/zinc/22/26/30/640222630.db2.gz	IYMUUWKQSZRYLG-UHFFFAOYSA-N	-1	0	388.427	0.945	20	5		GCBDRM
Cc1nc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)c(Br)n1C	ZINC000806119566	640249641	/nfs/dbraw/zinc/24/96/41/640249641.db2.gz	WOTDWVWGYPXNJI-UHFFFAOYSA-N	-1	0	392.191	0.846	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)[N-]S(=O)(=O)CCCF)c([N+](=O)[O-])c1	ZINC000747139144	640305234	/nfs/dbraw/zinc/30/52/34/640305234.db2.gz	NIQNSEGEDQNJGO-UHFFFAOYSA-N	-1	0	379.391	0.591	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000750404239	640361988	/nfs/dbraw/zinc/36/19/88/640361988.db2.gz	OMSHRVHMXVXWFM-UHFFFAOYSA-N	-1	0	376.782	0.382	20	5		GCBDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000757334125	640507623	/nfs/dbraw/zinc/50/76/23/640507623.db2.gz	WJVXNHNLLZCSIT-UHFFFAOYSA-N	-1	0	396.219	0.910	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)s1	ZINC000759507733	640550830	/nfs/dbraw/zinc/55/08/30/640550830.db2.gz	HBLGYMHYSDJMON-UHFFFAOYSA-N	-1	0	385.383	0.832	20	5		GCBDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000761418855	640593694	/nfs/dbraw/zinc/59/36/94/640593694.db2.gz	GHWOOPQOFWYXCR-UHFFFAOYSA-N	-1	0	392.411	0.705	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)ccc1[N+](=O)[O-]	ZINC000761432988	640593759	/nfs/dbraw/zinc/59/37/59/640593759.db2.gz	RHDAIPKGVNTXHI-UHFFFAOYSA-N	-1	0	375.384	0.577	20	5		GCBDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000764207456	640641945	/nfs/dbraw/zinc/64/19/45/640641945.db2.gz	LNYGQCPGGZANMD-MRVPVSSYSA-N	-1	0	380.400	0.093	20	5		GCBDRM
NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1	ZINC000768795821	640760242	/nfs/dbraw/zinc/76/02/42/640760242.db2.gz	VUCGUYXFWHIBLD-UHFFFAOYSA-N	-1	0	383.454	0.844	20	5		GCBDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000770603084	640809714	/nfs/dbraw/zinc/80/97/14/640809714.db2.gz	LNCVWTYNTDRACF-UHFFFAOYSA-N	-1	0	396.219	0.910	20	5		GCBDRM
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000770747075	640814313	/nfs/dbraw/zinc/81/43/13/640814313.db2.gz	CBBBZKGMGTYTFL-ZCFIWIBFSA-N	-1	0	394.203	0.687	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1	ZINC000772204842	640840002	/nfs/dbraw/zinc/84/00/02/640840002.db2.gz	YKFQCAQJQFDDCP-AAEUAGOBSA-N	-1	0	386.407	0.991	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)CN(C)[C@H]2CCSC2)ccc1[N+](=O)[O-]	ZINC000774183810	640879760	/nfs/dbraw/zinc/87/97/60/640879760.db2.gz	LYJMVCCDIRRWIN-JTQLQIEISA-N	-1	0	389.455	0.846	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCSC1	ZINC000774288790	640884829	/nfs/dbraw/zinc/88/48/29/640884829.db2.gz	PTTIDXYRIHESBL-SECBINFHSA-N	-1	0	377.419	0.976	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000776601166	641106133	/nfs/dbraw/zinc/10/61/33/641106133.db2.gz	NQOMIOFKWWBZOQ-SNVBAGLBSA-N	-1	0	376.391	0.359	20	5		GCBDRM
O=C([O-])CC[C@H](CN1CCOCC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776631690	641108158	/nfs/dbraw/zinc/10/81/58/641108158.db2.gz	AXAVWZYHBZEGGH-SNVBAGLBSA-N	-1	0	393.443	0.500	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-]	ZINC000776714858	641114375	/nfs/dbraw/zinc/11/43/75/641114375.db2.gz	JAUJVBYWMCEBEY-SDWAUSNYSA-N	-1	0	396.830	0.763	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2c2nccs2)n1	ZINC000861326212	641148135	/nfs/dbraw/zinc/14/81/35/641148135.db2.gz	FOUPJPQGRXRNHE-QMMMGPOBSA-N	-1	0	386.415	0.259	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@]12CCC(=O)N1CCS2	ZINC000781837376	641238274	/nfs/dbraw/zinc/23/82/74/641238274.db2.gz	KXVXDMXJSXTQBP-ZDUSSCGKSA-N	-1	0	389.386	0.604	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000781843736	641238372	/nfs/dbraw/zinc/23/83/72/641238372.db2.gz	HMPOHXWVWJADPR-UHFFFAOYSA-N	-1	0	394.402	0.754	20	5		GCBDRM
Cc1cc(Br)c(NC(=O)C(=O)[N-]OCC(N)=O)cc1[N+](=O)[O-]	ZINC000785387870	641309875	/nfs/dbraw/zinc/30/98/75/641309875.db2.gz	JHIIWRZOUYLDHX-UHFFFAOYSA-N	-1	0	375.135	0.137	20	5		GCBDRM
COc1cc(C)c(S(=O)(=O)[N-]C(=O)Cn2cnc([N+](=O)[O-])n2)cc1Cl	ZINC000789632930	641396888	/nfs/dbraw/zinc/39/68/88/641396888.db2.gz	WRLPOLWZUBODIQ-UHFFFAOYSA-N	-1	0	389.777	0.662	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCCS1(=O)=O	ZINC000791868400	641440047	/nfs/dbraw/zinc/44/00/47/641440047.db2.gz	MRPMWXMGDWOKBW-SNVBAGLBSA-N	-1	0	380.375	0.506	20	5		GCBDRM
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)CCC(F)(F)F	ZINC000797263777	641560590	/nfs/dbraw/zinc/56/05/90/641560590.db2.gz	CWEDPOUQNRZNNR-UHFFFAOYSA-N	-1	0	383.304	0.723	20	5		GCBDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000797285520	641562255	/nfs/dbraw/zinc/56/22/55/641562255.db2.gz	OSDRRDUFYPPZPI-LURJTMIESA-N	-1	0	395.187	0.978	20	5		GCBDRM
Cn1nncc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000798833026	641595727	/nfs/dbraw/zinc/59/57/27/641595727.db2.gz	DEVMINPTRUPFAY-UHFFFAOYSA-N	-1	0	390.175	0.605	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1	ZINC000810968088	641746346	/nfs/dbraw/zinc/74/63/46/641746346.db2.gz	UKNQVGWQIWPHPM-UHFFFAOYSA-N	-1	0	385.324	0.753	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000817874516	641891004	/nfs/dbraw/zinc/89/10/04/641891004.db2.gz	GXIIGSLUPKRAND-NSHDSACASA-N	-1	0	391.789	0.370	20	5		GCBDRM
CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1=O	ZINC000819912219	641945121	/nfs/dbraw/zinc/94/51/21/641945121.db2.gz	OZRJBRCOLDRBFC-QMMMGPOBSA-N	-1	0	379.753	0.813	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC2CCC2)cc1[N+](=O)[O-]	ZINC000802119774	642144081	/nfs/dbraw/zinc/14/40/81/642144081.db2.gz	AAAKLTLSBRIXJQ-UHFFFAOYSA-N	-1	0	376.412	0.858	20	5		GCBDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000802162905	642147879	/nfs/dbraw/zinc/14/78/79/642147879.db2.gz	DIILUJRLFRAMPX-RKDXNWHRSA-N	-1	0	376.391	0.133	20	5		GCBDRM
Cn1c(C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]	ZINC000803032977	642168453	/nfs/dbraw/zinc/16/84/53/642168453.db2.gz	HCPOFCAAORMISH-UHFFFAOYSA-N	-1	0	376.391	0.518	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000835185494	642224366	/nfs/dbraw/zinc/22/43/66/642224366.db2.gz	TWYYESUIXQPSEI-UHFFFAOYSA-N	-1	0	383.304	0.920	20	5		GCBDRM
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000842452290	642336267	/nfs/dbraw/zinc/33/62/67/642336267.db2.gz	RJGINNYOXFJIIH-LURJTMIESA-N	-1	0	383.304	0.943	20	5		GCBDRM
O=C([O-])c1cn([C@@H]2CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)nn1	ZINC000843298749	642366888	/nfs/dbraw/zinc/36/68/88/642366888.db2.gz	OWMQLRNOGFFJFU-MRVPVSSYSA-N	-1	0	387.399	0.972	20	5		GCBDRM
O=C(NCCS(=O)(=O)N1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000843781116	642380532	/nfs/dbraw/zinc/38/05/32/642380532.db2.gz	YPUKSTKXYSQKSZ-UHFFFAOYSA-N	-1	0	393.805	0.346	20	5		GCBDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)[C@@H]1CCOC1	ZINC000850859586	642700005	/nfs/dbraw/zinc/70/00/05/642700005.db2.gz	RSAMHIMISMTXIR-JMCQJSRRSA-N	-1	0	393.805	0.687	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)CC(F)F	ZINC000851359679	642717894	/nfs/dbraw/zinc/71/78/94/642717894.db2.gz	WULXAQKFEHDXGD-UHFFFAOYSA-N	-1	0	379.297	0.031	20	5		GCBDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)OC	ZINC000853206464	642790862	/nfs/dbraw/zinc/79/08/62/642790862.db2.gz	QDQCTHVONGYLRU-SECBINFHSA-N	-1	0	376.343	0.045	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[N-]OC(C)(C)CO	ZINC000857285339	642937686	/nfs/dbraw/zinc/93/76/86/642937686.db2.gz	ZWHWUAAVZWFQIJ-VIFPVBQESA-N	-1	0	375.403	0.858	20	5		GCBDRM
C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)NC(=O)OC(C)(C)C	ZINC000859176498	642984510	/nfs/dbraw/zinc/98/45/10/642984510.db2.gz	VTNXPVJUNGPNGV-IUCAKERBSA-N	-1	0	377.423	0.908	20	5		GCBDRM
NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1	ZINC000860505600	643034575	/nfs/dbraw/zinc/03/45/75/643034575.db2.gz	XNCMBFCOSLVOST-DTWKUNHWSA-N	-1	0	377.762	0.086	20	5		GCBDRM
O=C([O-])c1coc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000541835914	1192280803	/nfs/dbraw/zinc/28/08/03/1192280803.db2.gz	ACANYKOWAWPOPV-UHFFFAOYSA-N	-1	0	383.338	0.594	20	5		GCBDRM
C[C@H]1[C@H](Nc2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001167858449	1192506915	/nfs/dbraw/zinc/50/69/15/1192506915.db2.gz	PFLVWZOKHYIYQV-NJGYIYPDSA-N	-1	0	377.766	0.730	20	5		GCBDRM
O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000274900445	1184422029	/nfs/dbraw/zinc/42/20/29/1184422029.db2.gz	IBDFMJMQIONOHK-VIFPVBQESA-N	-1	0	398.353	0.063	20	5		GCBDRM
COC(=O)C1CCN(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC000274914683	1184425355	/nfs/dbraw/zinc/42/53/55/1184425355.db2.gz	LKORHWDNZOUMOL-UHFFFAOYSA-N	-1	0	387.370	0.835	20	5		GCBDRM
Cc1cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc([N+](=O)[O-])c1F	ZINC000274932925	1184431891	/nfs/dbraw/zinc/43/18/91/1184431891.db2.gz	DORYMJVZFFHXRG-SECBINFHSA-N	-1	0	389.361	0.254	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc1C	ZINC000274962495	1184440318	/nfs/dbraw/zinc/44/03/18/1184440318.db2.gz	BOEBNCAKBKLETO-PWSUYJOCSA-N	-1	0	385.398	0.551	20	5		GCBDRM
CCC(=O)C[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000275017411	1184455915	/nfs/dbraw/zinc/45/59/15/1184455915.db2.gz	OEYOPPDOXAJXFW-VIFPVBQESA-N	-1	0	388.354	0.467	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1C	ZINC000275004301	1184456310	/nfs/dbraw/zinc/45/63/10/1184456310.db2.gz	ORAOHWUWHPVYEU-CYBMUJFWSA-N	-1	0	387.414	0.275	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)[O-]	ZINC000275030447	1184467809	/nfs/dbraw/zinc/46/78/09/1184467809.db2.gz	UDHUQVHIAIETGE-CYBMUJFWSA-N	-1	0	387.414	0.221	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000275088707	1184503539	/nfs/dbraw/zinc/50/35/39/1184503539.db2.gz	JWVVCDAWCIWLFZ-GXTWGEPZSA-N	-1	0	397.409	0.432	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000275091169	1184505778	/nfs/dbraw/zinc/50/57/78/1184505778.db2.gz	KELGZDDCEPXWGG-YPMHNXCESA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1C	ZINC000275138919	1184529902	/nfs/dbraw/zinc/52/99/02/1184529902.db2.gz	PZFQTFIXOIOCRV-CMPLNLGQSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000275149474	1184535361	/nfs/dbraw/zinc/53/53/61/1184535361.db2.gz	RJCXYHOYXOKNFX-RYUDHWBXSA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1C	ZINC000275180495	1184541892	/nfs/dbraw/zinc/54/18/92/1184541892.db2.gz	DGZWYASLFWYWAC-GFCCVEGCSA-N	-1	0	382.398	0.919	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000275211723	1184553413	/nfs/dbraw/zinc/55/34/13/1184553413.db2.gz	ZTKRVXTYZMAIGJ-AAEUAGOBSA-N	-1	0	397.409	0.599	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000275348319	1184621236	/nfs/dbraw/zinc/62/12/36/1184621236.db2.gz	VYMBTSHKGKRVTG-ZDUSSCGKSA-N	-1	0	382.398	0.865	20	5		GCBDRM
COCc1noc(CN2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)n1	ZINC000275421891	1184661785	/nfs/dbraw/zinc/66/17/85/1184661785.db2.gz	AEGTZDDIENIMHT-UHFFFAOYSA-N	-1	0	377.357	0.788	20	5		GCBDRM
COC(=O)c1coc(S(=O)(=O)N[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000547897761	1184736870	/nfs/dbraw/zinc/73/68/70/1184736870.db2.gz	CDJMZUDITLDFAN-NSHDSACASA-N	-1	0	398.349	0.949	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC(=O)N(C2CC2)C1	ZINC000748116805	1184766429	/nfs/dbraw/zinc/76/64/29/1184766429.db2.gz	MARJFOFBMSSJHO-MRVPVSSYSA-N	-1	0	398.353	0.319	20	5		GCBDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)OCCn1cc([N+](=O)[O-])cn1	ZINC000748120587	1184806727	/nfs/dbraw/zinc/80/67/27/1184806727.db2.gz	QCHSOPGMKKUCFX-UHFFFAOYSA-N	-1	0	385.340	0.838	20	5		GCBDRM
CCC[C@]1(C)C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000275779744	1185049854	/nfs/dbraw/zinc/04/98/54/1185049854.db2.gz	ZSSFNMCSUBQIGN-OAHLLOKOSA-N	-1	0	385.398	0.972	20	5		GCBDRM
O=C([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1	ZINC000581431989	1185689492	/nfs/dbraw/zinc/68/94/92/1185689492.db2.gz	FFKTZSPWCHRREI-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
COc1ccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000262241404	1185710654	/nfs/dbraw/zinc/71/06/54/1185710654.db2.gz	UKGQLTBVQCRCCR-GFCCVEGCSA-N	-1	0	379.369	0.999	20	5		GCBDRM
O=C([N-]OC[C@H]1CCOC1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000276331429	1185740666	/nfs/dbraw/zinc/74/06/66/1185740666.db2.gz	FSGAKMVAFCTKDH-SWLSCSKDSA-N	-1	0	399.425	0.832	20	5		GCBDRM
CCn1cc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548222242	1185894434	/nfs/dbraw/zinc/89/44/34/1185894434.db2.gz	BWSKVJLARRZLLU-JTQLQIEISA-N	-1	0	383.386	0.870	20	5		GCBDRM
NC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1	ZINC000548221821	1185894499	/nfs/dbraw/zinc/89/44/99/1185894499.db2.gz	BENVCELQVXRWGV-CQSZACIVSA-N	-1	0	393.377	0.668	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc([N+](=O)[O-])c1C	ZINC000548247187	1185909334	/nfs/dbraw/zinc/90/93/34/1185909334.db2.gz	BXUKQAGHSBVYAH-ZWNOBZJWSA-N	-1	0	385.398	0.551	20	5		GCBDRM
CCOC(=O)c1cc(S(=O)(=O)NCCOCC(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000548259747	1185917937	/nfs/dbraw/zinc/91/79/37/1185917937.db2.gz	YHVDNYPLBJJFNH-UHFFFAOYSA-N	-1	0	390.370	0.459	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c(C)c1[N+](=O)[O-]	ZINC000276899531	1186140661	/nfs/dbraw/zinc/14/06/61/1186140661.db2.gz	VRGWVXUTPDCFGH-UHFFFAOYSA-N	-1	0	387.330	0.207	20	5		GCBDRM
O=C(NC(CO)CO)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000548456188	1186143875	/nfs/dbraw/zinc/14/38/75/1186143875.db2.gz	SKVAKGACGBDKKG-UHFFFAOYSA-N	-1	0	395.393	0.479	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000548535143	1186304388	/nfs/dbraw/zinc/30/43/88/1186304388.db2.gz	MEZMBTBIRXUSDO-CYBMUJFWSA-N	-1	0	387.414	0.275	20	5		GCBDRM
CCOC(=O)[C@H]1CCCN1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548542232	1186308884	/nfs/dbraw/zinc/30/88/84/1186308884.db2.gz	LVAOLCJWKSKASW-LLVKDONJSA-N	-1	0	387.370	0.977	20	5		GCBDRM
Cc1cc(C)n(C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])n1	ZINC000548548247	1186310606	/nfs/dbraw/zinc/31/06/06/1186310606.db2.gz	JZLIDWVXZAUFKO-LBPRGKRZSA-N	-1	0	386.361	0.979	20	5		GCBDRM
CN(C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000551235581	1186402530	/nfs/dbraw/zinc/40/25/30/1186402530.db2.gz	XMPVVLUGEBGSNG-QWHCGFSZSA-N	-1	0	385.398	0.419	20	5		GCBDRM
O=C([O-])[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Oc1ccc(F)cc1	ZINC000539569027	1186407785	/nfs/dbraw/zinc/40/77/85/1186407785.db2.gz	VIZDFZBWEPQWDX-CYBMUJFWSA-N	-1	0	379.300	0.544	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1=O	ZINC000478992368	1186547724	/nfs/dbraw/zinc/54/77/24/1186547724.db2.gz	AZBYGQMMEFOABP-ZWNOBZJWSA-N	-1	0	382.348	0.756	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1	ZINC000582590249	1186576779	/nfs/dbraw/zinc/57/67/79/1186576779.db2.gz	IFUJBGJJDSYWMT-PWSUYJOCSA-N	-1	0	385.398	0.551	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2CCC(O)(C(C)(C)C(=O)[O-])CC2)c([N+](=O)[O-])n1	ZINC000548771022	1186683406	/nfs/dbraw/zinc/68/34/06/1186683406.db2.gz	CQTXIDJAFATRKH-UHFFFAOYSA-N	-1	0	390.418	0.438	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-]	ZINC000572885627	1186726615	/nfs/dbraw/zinc/72/66/15/1186726615.db2.gz	HYYAGPKTHNIWSD-PHIMTYICSA-N	-1	0	385.398	0.435	20	5		GCBDRM
COCCCNC(=O)[C@H](C)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000572903630	1186738091	/nfs/dbraw/zinc/73/80/91/1186738091.db2.gz	YHHXOBKQEVCYLX-AWEZNQCLSA-N	-1	0	380.445	0.959	20	5		GCBDRM
CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-]	ZINC000278279751	1186869479	/nfs/dbraw/zinc/86/94/79/1186869479.db2.gz	ZCHDVZYMFKSKAM-JTQLQIEISA-N	-1	0	390.370	0.678	20	5		GCBDRM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000583752719	1186932253	/nfs/dbraw/zinc/93/22/53/1186932253.db2.gz	ZPDLUORFVCFCFC-NEPJUHHUSA-N	-1	0	385.398	0.346	20	5		GCBDRM
CCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1OC	ZINC000364529733	1187447733	/nfs/dbraw/zinc/44/77/33/1187447733.db2.gz	SNOWDYAUZCXBCM-ZDUSSCGKSA-N	-1	0	378.345	0.729	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c(C)c1[N+](=O)[O-]	ZINC000290165053	1187511577	/nfs/dbraw/zinc/51/15/77/1187511577.db2.gz	OYWPXHCEBPHGBR-UHFFFAOYSA-N	-1	0	387.330	0.317	20	5		GCBDRM
O=C([O-])c1cnc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1	ZINC000580435934	1187683621	/nfs/dbraw/zinc/68/36/21/1187683621.db2.gz	LOGKUYOJQRSTKY-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000581245729	1187710889	/nfs/dbraw/zinc/71/08/89/1187710889.db2.gz	UGLSESCFLYGKAI-LBPRGKRZSA-N	-1	0	391.380	0.898	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1	ZINC000582590247	1187757106	/nfs/dbraw/zinc/75/71/06/1187757106.db2.gz	IFUJBGJJDSYWMT-CMPLNLGQSA-N	-1	0	385.398	0.551	20	5		GCBDRM
CO[C@H](C)c1nc(=NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)s[n-]1	ZINC000549034948	1187763085	/nfs/dbraw/zinc/76/30/85/1187763085.db2.gz	VYEBSXXFDLFMCN-SSDOTTSWSA-N	-1	0	391.365	0.810	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)N(C)C)C1	ZINC000414353067	1187847336	/nfs/dbraw/zinc/84/73/36/1187847336.db2.gz	REFIQSKXUIHQEL-JTQLQIEISA-N	-1	0	385.398	0.700	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c(C)cc1[N+](=O)[O-]	ZINC000414445485	1187936700	/nfs/dbraw/zinc/93/67/00/1187936700.db2.gz	WPIYSWJSPRNGMW-UHFFFAOYSA-N	-1	0	382.402	0.692	20	5		GCBDRM
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1	ZINC000728762368	1189581235	/nfs/dbraw/zinc/58/12/35/1189581235.db2.gz	GKRPGLLUSFSZLA-UHFFFAOYSA-N	-1	0	394.365	0.477	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1	ZINC000417449868	1189663739	/nfs/dbraw/zinc/66/37/39/1189663739.db2.gz	YQYZIRGGAMKDRJ-FZMZJTMJSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)ccc1[N+](=O)[O-]	ZINC000417445888	1189665855	/nfs/dbraw/zinc/66/58/55/1189665855.db2.gz	ISFCLOMYRTXLOO-OCCSQVGLSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417447268	1189667152	/nfs/dbraw/zinc/66/71/52/1189667152.db2.gz	OWASWBLVAZEATM-GXTWGEPZSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448346	1189667911	/nfs/dbraw/zinc/66/79/11/1189667911.db2.gz	UGRIAKRBNCXNII-OCCSQVGLSA-N	-1	0	399.425	0.892	20	5		GCBDRM
C[C@@H]1OCC[C@]12CN(S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])CCO2	ZINC000566564976	1189717030	/nfs/dbraw/zinc/71/70/30/1189717030.db2.gz	AZUYDVMWJLCLCN-BONVTDFDSA-N	-1	0	386.382	0.862	20	5		GCBDRM
CS(=O)(=O)c1nc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n[n-]1	ZINC000512640636	1193724816	/nfs/dbraw/zinc/72/48/16/1193724816.db2.gz	ZAUVDWMXCLXDNZ-UHFFFAOYSA-N	-1	0	377.342	0.554	20	5		GCBDRM
O=C(CN1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1)Nc1nncs1	ZINC000512678075	1193732260	/nfs/dbraw/zinc/73/22/60/1193732260.db2.gz	NRYNQIKPKZWAKL-UHFFFAOYSA-N	-1	0	392.397	0.548	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000420563281	1194241983	/nfs/dbraw/zinc/24/19/83/1194241983.db2.gz	PVNCSWVMUUQNGE-INIZCTEOSA-N	-1	0	375.341	0.411	20	5		GCBDRM
Cc1c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000422582110	1194672157	/nfs/dbraw/zinc/67/21/57/1194672157.db2.gz	SXCHPPNENAZQRE-WCBMZHEXSA-N	-1	0	385.398	0.876	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)c([N+](=O)[O-])c1	ZINC000422654483	1194682708	/nfs/dbraw/zinc/68/27/08/1194682708.db2.gz	NJRPSZZHZSLNRI-VIFPVBQESA-N	-1	0	379.325	0.561	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)C(=O)[O-]	ZINC000422672725	1194686184	/nfs/dbraw/zinc/68/61/84/1194686184.db2.gz	RHCAZLWMAIKVIS-SNVBAGLBSA-N	-1	0	380.357	0.280	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC000422674007	1194686691	/nfs/dbraw/zinc/68/66/91/1194686691.db2.gz	VISMSCOSLOXLDI-JTQLQIEISA-N	-1	0	380.357	0.280	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O	ZINC000422679781	1194688698	/nfs/dbraw/zinc/68/86/98/1194688698.db2.gz	WLXAVQKPSHILCU-STQMWFEESA-N	-1	0	392.368	0.360	20	5		GCBDRM
O=C([O-])C1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000422754027	1194696902	/nfs/dbraw/zinc/69/69/02/1194696902.db2.gz	DHYDCVFBFHIEGZ-UHFFFAOYSA-N	-1	0	390.396	0.567	20	5		GCBDRM
COc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c([N+](=O)[O-])c1	ZINC000504211749	1194764613	/nfs/dbraw/zinc/76/46/13/1194764613.db2.gz	QYWHGHMUDSXKRV-UHFFFAOYSA-N	-1	0	380.342	0.444	20	5		GCBDRM
CCOC(=O)Cn1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1=O	ZINC000513813311	1194781954	/nfs/dbraw/zinc/78/19/54/1194781954.db2.gz	BBEIDDCRQGMSEJ-UHFFFAOYSA-N	-1	0	397.365	0.826	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCS1(=O)=O	ZINC000424232213	1194806388	/nfs/dbraw/zinc/80/63/88/1194806388.db2.gz	BYKFFDREEQYYQX-ZDUSSCGKSA-N	-1	0	394.365	0.104	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000424250481	1194806650	/nfs/dbraw/zinc/80/66/50/1194806650.db2.gz	UNOBBUOAHBRBCT-CYBMUJFWSA-N	-1	0	383.382	0.493	20	5		GCBDRM
Cc1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000424416471	1194811441	/nfs/dbraw/zinc/81/14/41/1194811441.db2.gz	UXFQLXMNGBKJER-GWCFXTLKSA-N	-1	0	385.398	0.857	20	5		GCBDRM
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000514615684	1194888223	/nfs/dbraw/zinc/88/82/23/1194888223.db2.gz	IRKIURALSMPFHE-ZDUSSCGKSA-N	-1	0	398.441	0.758	20	5		GCBDRM
O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000514665788	1194893124	/nfs/dbraw/zinc/89/31/24/1194893124.db2.gz	RSZVNMZTSKEFAY-GFCCVEGCSA-N	-1	0	379.369	0.803	20	5		GCBDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000514938834	1194931157	/nfs/dbraw/zinc/93/11/57/1194931157.db2.gz	HPLMHPZRSDNQHW-DGCLKSJQSA-N	-1	0	399.425	0.915	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1	ZINC000515203367	1194956884	/nfs/dbraw/zinc/95/68/84/1194956884.db2.gz	QALDJYQZHXZAMK-HUUCEWRRSA-N	-1	0	380.378	0.930	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@]2(CCOC2)C1	ZINC000515304450	1194965341	/nfs/dbraw/zinc/96/53/41/1194965341.db2.gz	MWYPBLKFJVUHQD-OAHLLOKOSA-N	-1	0	386.382	0.781	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCCC1(O)CCOCC1	ZINC000505826040	1195008894	/nfs/dbraw/zinc/00/88/94/1195008894.db2.gz	LKKGKGUWULKADF-UHFFFAOYSA-N	-1	0	388.398	0.811	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436922589	1195047780	/nfs/dbraw/zinc/04/77/80/1195047780.db2.gz	OQFZYZYBZJGUIB-NSHDSACASA-N	-1	0	386.430	0.691	20	5		GCBDRM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436949828	1195048635	/nfs/dbraw/zinc/04/86/35/1195048635.db2.gz	SKKQXEJASWXLML-NSHDSACASA-N	-1	0	385.398	0.066	20	5		GCBDRM
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436951424	1195050721	/nfs/dbraw/zinc/05/07/21/1195050721.db2.gz	QKIOJOLVHQWSSN-SNVBAGLBSA-N	-1	0	385.398	0.066	20	5		GCBDRM
CCC[C@]1(C)C(=O)NCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000516574337	1195069598	/nfs/dbraw/zinc/06/95/98/1195069598.db2.gz	NPJGPAPHJCRXHX-OAHLLOKOSA-N	-1	0	385.398	0.972	20	5		GCBDRM
CCC[C@@]1(C)C(=O)NCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000516574336	1195069780	/nfs/dbraw/zinc/06/97/80/1195069780.db2.gz	NPJGPAPHJCRXHX-HNNXBMFYSA-N	-1	0	385.398	0.972	20	5		GCBDRM
COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc([N+](=O)[O-])c1	ZINC000438721623	1195242267	/nfs/dbraw/zinc/24/22/67/1195242267.db2.gz	KZMSGYWLRWKMAZ-UHFFFAOYSA-N	-1	0	382.354	0.620	20	5		GCBDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1[N+](=O)[O-]	ZINC000473728553	1195450481	/nfs/dbraw/zinc/45/04/81/1195450481.db2.gz	JNYJBEIIXOEPDT-RISCZKNCSA-N	-1	0	387.352	0.783	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(N)=O)c([N+](=O)[O-])n1	ZINC000507007074	1195484829	/nfs/dbraw/zinc/48/48/29/1195484829.db2.gz	KWBHYLJEUCSEPX-UHFFFAOYSA-N	-1	0	382.402	0.777	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000507351555	1195513124	/nfs/dbraw/zinc/51/31/24/1195513124.db2.gz	DUGQVCVEYGDHPU-KGLIPLIRSA-N	-1	0	397.409	0.539	20	5		GCBDRM
COc1ccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1S(N)(=O)=O	ZINC000507376256	1195513585	/nfs/dbraw/zinc/51/35/85/1195513585.db2.gz	AEUOZZGVXUWLEH-UHFFFAOYSA-N	-1	0	395.393	0.929	20	5		GCBDRM
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000427926687	1195899864	/nfs/dbraw/zinc/89/98/64/1195899864.db2.gz	YFEBCGHSYZXDMC-UHFFFAOYSA-N	-1	0	392.393	0.842	20	5		GCBDRM
CC[C@H](C)N(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000442756237	1196000752	/nfs/dbraw/zinc/00/07/52/1196000752.db2.gz	UOWFOXYMIXASFB-NSHDSACASA-N	-1	0	387.414	0.975	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000281279007	1196286547	/nfs/dbraw/zinc/28/65/47/1196286547.db2.gz	LUWCUYBEKYCRHT-HAQNSBGRSA-N	-1	0	399.425	0.880	20	5		GCBDRM
Cc1nn(CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000281317510	1196288980	/nfs/dbraw/zinc/28/89/80/1196288980.db2.gz	JFPQXBCNHOMJLT-LBPRGKRZSA-N	-1	0	383.405	0.530	20	5		GCBDRM
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000281758742	1196329529	/nfs/dbraw/zinc/32/95/29/1196329529.db2.gz	PYESPNCUWKTTGH-UHFFFAOYSA-N	-1	0	380.401	0.163	20	5		GCBDRM
CCOc1cc(C(=O)NCc2cn(CC(=O)[O-])nn2)c([N+](=O)[O-])cc1OC	ZINC000439703065	1196347606	/nfs/dbraw/zinc/34/76/06/1196347606.db2.gz	CLBGXNQLBZBELN-UHFFFAOYSA-N	-1	0	379.329	0.608	20	5		GCBDRM
COC(=O)CC1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCS(=O)(=O)CC1	ZINC000440127597	1196451134	/nfs/dbraw/zinc/45/11/34/1196451134.db2.gz	BBWYDHVQHWYFMC-UHFFFAOYSA-N	-1	0	386.382	0.541	20	5		GCBDRM
O=C(NCCc1nc(=O)o[n-]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000447631811	1196735105	/nfs/dbraw/zinc/73/51/05/1196735105.db2.gz	BCBDYGQLKQJZNE-QMMMGPOBSA-N	-1	0	381.370	0.296	20	5		GCBDRM
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000449001693	1196846104	/nfs/dbraw/zinc/84/61/04/1196846104.db2.gz	FIOVVCMYELZCQD-OLZOCXBDSA-N	-1	0	385.398	0.633	20	5		GCBDRM
Cc1c([C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C(=O)[O-])cnn1C	ZINC000530541579	1196994447	/nfs/dbraw/zinc/99/44/47/1196994447.db2.gz	PMMSKUILVHXOPJ-CQSZACIVSA-N	-1	0	382.398	0.925	20	5		GCBDRM
Cc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000282034410	1197079049	/nfs/dbraw/zinc/07/90/49/1197079049.db2.gz	KOSKMDBVZSIXQT-UHFFFAOYSA-N	-1	0	388.358	0.316	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000170307532	1197252618	/nfs/dbraw/zinc/25/26/18/1197252618.db2.gz	WKBSNXIXHPJVKO-JQWIXIFHSA-N	-1	0	383.382	0.291	20	5		GCBDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000263376136	1197262752	/nfs/dbraw/zinc/26/27/52/1197262752.db2.gz	WPIDNAMNEJIDJI-WDEREUQCSA-N	-1	0	385.398	0.442	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cnccc2N2CCN(C)CC2)c([N+](=O)[O-])n1	ZINC000533548954	1197457849	/nfs/dbraw/zinc/45/78/49/1197457849.db2.gz	RBXWXERATSWAJH-UHFFFAOYSA-N	-1	0	395.445	0.759	20	5		GCBDRM
O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000554005598	1199037201	/nfs/dbraw/zinc/03/72/01/1199037201.db2.gz	IRHMFMGGIOWRAL-GFCCVEGCSA-N	-1	0	387.400	0.964	20	5		GCBDRM
COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1	ZINC000265900404	1199895432	/nfs/dbraw/zinc/89/54/32/1199895432.db2.gz	DIKPHNRMGYLXRW-UHFFFAOYSA-N	-1	0	383.386	0.355	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cncc(OCC(F)(F)F)n2)c([N+](=O)[O-])n1	ZINC000594728036	1201048326	/nfs/dbraw/zinc/04/83/26/1201048326.db2.gz	SKJKFLRSLOPEPY-UHFFFAOYSA-N	-1	0	396.307	1.343	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])n1	ZINC000611107340	1201216828	/nfs/dbraw/zinc/21/68/28/1201216828.db2.gz	KQEWAVOARZZLCU-QWHCGFSZSA-N	-1	0	387.462	0.733	20	5		GCBDRM
Cc1nn(C)c(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1[N+](=O)[O-]	ZINC000727187809	1201350993	/nfs/dbraw/zinc/35/09/93/1201350993.db2.gz	DBSKEFGCGJEKML-UHFFFAOYSA-N	-1	0	379.354	0.816	20	5		GCBDRM
CC(C)(C(=O)[N-]S(=O)(=O)N1CCc2ccccc21)n1cc([N+](=O)[O-])cn1	ZINC000729903106	1201418489	/nfs/dbraw/zinc/41/84/89/1201418489.db2.gz	PYXNIYWFAKMSQD-UHFFFAOYSA-N	-1	0	379.398	0.950	20	5		GCBDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000729914216	1201419239	/nfs/dbraw/zinc/41/92/39/1201419239.db2.gz	NQTPMUJURYCCFH-UHFFFAOYSA-N	-1	0	387.418	0.095	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000730517061	1201450906	/nfs/dbraw/zinc/45/09/06/1201450906.db2.gz	QLQQZWVRRMGDLY-UHFFFAOYSA-N	-1	0	383.368	0.328	20	5		GCBDRM
O=C(COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000730656480	1201458317	/nfs/dbraw/zinc/45/83/17/1201458317.db2.gz	HYFPZICAHLCFKU-UHFFFAOYSA-N	-1	0	390.287	0.300	20	5		GCBDRM
C[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000730658011	1201460521	/nfs/dbraw/zinc/46/05/21/1201460521.db2.gz	UQENEGUYMCHRIX-SECBINFHSA-N	-1	0	386.324	0.550	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000731964711	1201512375	/nfs/dbraw/zinc/51/23/75/1201512375.db2.gz	MOOPQGJLWYUNKT-UHFFFAOYSA-N	-1	0	386.324	0.779	20	5		GCBDRM
CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000732493804	1201545603	/nfs/dbraw/zinc/54/56/03/1201545603.db2.gz	VULOOMNLXLNDDF-VOTSOKGWSA-N	-1	0	390.377	0.868	20	5		GCBDRM
COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)cc1[N+](=O)[O-]	ZINC000732616790	1201550071	/nfs/dbraw/zinc/55/00/71/1201550071.db2.gz	UHZCUNBHWGAMJQ-UHFFFAOYSA-N	-1	0	399.406	0.811	20	5		GCBDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1	ZINC000733866776	1201610003	/nfs/dbraw/zinc/61/00/03/1201610003.db2.gz	NGUKYMMVHNSLKP-UHFFFAOYSA-N	-1	0	388.365	0.998	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CCC(=O)N2CCOCC2)ccc1[N+](=O)[O-]	ZINC000734737723	1201661891	/nfs/dbraw/zinc/66/18/91/1201661891.db2.gz	UNHMZGZWRGRXHW-UHFFFAOYSA-N	-1	0	385.398	0.347	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cnnn3)cc2)ccc1[N+](=O)[O-]	ZINC000734735601	1201662615	/nfs/dbraw/zinc/66/26/15/1201662615.db2.gz	ZXEUGZWQSPPNGQ-UHFFFAOYSA-N	-1	0	388.365	0.998	20	5		GCBDRM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1	ZINC000734972204	1201667217	/nfs/dbraw/zinc/66/72/17/1201667217.db2.gz	QHKMGVUDTRHJJQ-UHFFFAOYSA-N	-1	0	399.406	0.699	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccn1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000734968668	1201667474	/nfs/dbraw/zinc/66/74/74/1201667474.db2.gz	FPJYSXOJNRMOSD-JTQLQIEISA-N	-1	0	394.365	0.693	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000736162228	1201711384	/nfs/dbraw/zinc/71/13/84/1201711384.db2.gz	LSWVAMPYQNCQNP-UHFFFAOYSA-N	-1	0	390.356	0.894	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000741110181	1201757694	/nfs/dbraw/zinc/75/76/94/1201757694.db2.gz	ODUVGMIIUDMSAZ-UHFFFAOYSA-N	-1	0	383.342	0.736	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)Cc1noc2ccccc21	ZINC000741110756	1201757705	/nfs/dbraw/zinc/75/77/05/1201757705.db2.gz	PATGQTKGZLWBMP-UHFFFAOYSA-N	-1	0	379.354	0.969	20	5		GCBDRM
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000744951899	1201859354	/nfs/dbraw/zinc/85/93/54/1201859354.db2.gz	CFQWLXAOTDKBFJ-UHFFFAOYSA-N	-1	0	381.370	0.220	20	5		GCBDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1=O	ZINC000769835020	1202074983	/nfs/dbraw/zinc/07/49/83/1202074983.db2.gz	NQOUMBNTXBUKPX-CQSZACIVSA-N	-1	0	384.370	0.364	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1	ZINC000770108252	1202085379	/nfs/dbraw/zinc/08/53/79/1202085379.db2.gz	GXJTUOMEZIIQAS-UHFFFAOYSA-N	-1	0	377.338	0.770	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)nc1C	ZINC000770196267	1202087967	/nfs/dbraw/zinc/08/79/67/1202087967.db2.gz	BGQKRGMESDKSOC-UHFFFAOYSA-N	-1	0	392.397	0.974	20	5		GCBDRM
Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770774113	1202110964	/nfs/dbraw/zinc/11/09/64/1202110964.db2.gz	VWVUYGLPNROJFC-UHFFFAOYSA-N	-1	0	386.361	0.968	20	5		GCBDRM
O=C1OCCN1c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1[N+](=O)[O-]	ZINC000788911402	1205433105	/nfs/dbraw/zinc/43/31/05/1205433105.db2.gz	BPYKOQRAUFXTJV-UHFFFAOYSA-N	-1	0	385.358	0.160	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1cccc(OCC(N)=O)c1	ZINC000789486388	1205441206	/nfs/dbraw/zinc/44/12/06/1205441206.db2.gz	PFWNALREMVKEID-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1	ZINC000789486224	1205441222	/nfs/dbraw/zinc/44/12/22/1205441222.db2.gz	NYMNDBHFNWCCQC-UHFFFAOYSA-N	-1	0	388.365	0.998	20	5		GCBDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1	ZINC000790624418	1205468365	/nfs/dbraw/zinc/46/83/65/1205468365.db2.gz	SOJKNVNHRHZQMW-UHFFFAOYSA-N	-1	0	391.358	0.495	20	5		GCBDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000811141559	1205647505	/nfs/dbraw/zinc/64/75/05/1205647505.db2.gz	LAAOPUACBZETIH-UHFFFAOYSA-N	-1	0	388.398	0.791	20	5		GCBDRM
COCC1(S(=O)(=O)[N-]C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000811156407	1205648058	/nfs/dbraw/zinc/64/80/58/1205648058.db2.gz	AFTSCGKSHBVIKP-UHFFFAOYSA-N	-1	0	385.398	0.340	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000747745626	1205657998	/nfs/dbraw/zinc/65/79/98/1205657998.db2.gz	CQPVVWALFWXCDR-UHFFFAOYSA-N	-1	0	381.370	0.087	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1C	ZINC000813954411	1205682094	/nfs/dbraw/zinc/68/20/94/1205682094.db2.gz	ZAIXIPQLARDKON-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
COc1cc(OCC(=O)[N-]S(=O)(=O)c2cnn(C)c2C)ccc1[N+](=O)[O-]	ZINC000813955867	1205682144	/nfs/dbraw/zinc/68/21/44/1205682144.db2.gz	STBVIBGOZOIJMO-UHFFFAOYSA-N	-1	0	384.370	0.529	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000813989319	1205683946	/nfs/dbraw/zinc/68/39/46/1205683946.db2.gz	BAQAYZUQENUVAJ-UHFFFAOYSA-N	-1	0	397.369	0.983	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000813988361	1205684972	/nfs/dbraw/zinc/68/49/72/1205684972.db2.gz	HLAPCPCGPHFUOU-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cn1	ZINC000780439719	1205860414	/nfs/dbraw/zinc/86/04/14/1205860414.db2.gz	HFGYSKXGTWAYBY-UHFFFAOYSA-N	-1	0	384.301	0.429	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CCCCc2c[nH]nn2)c([N+](=O)[O-])c1	ZINC000774033749	1205860455	/nfs/dbraw/zinc/86/04/55/1205860455.db2.gz	DYYDNVUSFDCOOD-UHFFFAOYSA-N	-1	0	383.386	0.939	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)OCc3n[nH]c(=O)[n-]3)cc2[N+](=O)[O-])CC1	ZINC000774895988	1205924530	/nfs/dbraw/zinc/92/45/30/1205924530.db2.gz	IGBWPLOHNUGKPQ-UHFFFAOYSA-N	-1	0	390.356	0.444	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1	ZINC000262819634	939075001	/nfs/dbraw/zinc/07/50/01/939075001.db2.gz	PKNWARIXYFDUJP-XPTSAGLGSA-N	-1	0	399.787	0.974	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1	ZINC000262913018	939085431	/nfs/dbraw/zinc/08/54/31/939085431.db2.gz	YREDSBHDMLCHKI-MGPLVRAMSA-N	-1	0	393.352	0.316	20	5		GCBDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000825996333	939217465	/nfs/dbraw/zinc/21/74/65/939217465.db2.gz	ZOBAHXBATZFFHF-LKFCYVNXSA-N	-1	0	398.331	0.916	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)ccc1[N+](=O)[O-]	ZINC000592468481	939801624	/nfs/dbraw/zinc/80/16/24/939801624.db2.gz	KAEVFQAKUVGVLR-CQSZACIVSA-N	-1	0	375.341	0.309	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1	ZINC000597161916	939803406	/nfs/dbraw/zinc/80/34/06/939803406.db2.gz	PGSXKHOPASDIDG-AWEZNQCLSA-N	-1	0	399.787	0.974	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001600304813	970795406	/nfs/dbraw/zinc/79/54/06/970795406.db2.gz	NLLDCWPUQLQDJK-CYBMUJFWSA-N	-1	0	385.398	0.415	20	5		GCBDRM
O=C([O-])CS(=O)(=O)CCn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O	ZINC001611492151	971082463	/nfs/dbraw/zinc/08/24/63/971082463.db2.gz	VNLRHRCSJWZCBM-UHFFFAOYSA-N	-1	0	375.746	0.458	20	5		GCBDRM
CC(=O)NCc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)s1	ZINC001573533289	946710514	/nfs/dbraw/zinc/71/05/14/946710514.db2.gz	MMBWNBAWNGISNA-UHFFFAOYSA-N	-1	0	376.358	0.552	20	5		GCBDRM
CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001602760406	971482369	/nfs/dbraw/zinc/48/23/69/971482369.db2.gz	IMXZBMPJXLUSIU-FVMDXXJSSA-N	-1	0	381.316	0.866	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC000262481315	950131919	/nfs/dbraw/zinc/13/19/19/950131919.db2.gz	RVCHUSPIDKKFJL-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-]	ZINC000263118581	950275669	/nfs/dbraw/zinc/27/56/69/950275669.db2.gz	WXJWMUGEFYLKGG-FZMZJTMJSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263245108	950339589	/nfs/dbraw/zinc/33/95/89/950339589.db2.gz	SDHPYZHEHPOYSH-NEPJUHHUSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263245112	950340282	/nfs/dbraw/zinc/34/02/82/950340282.db2.gz	SDHPYZHEHPOYSH-RYUDHWBXSA-N	-1	0	399.425	0.975	20	5		GCBDRM
O=C([O-])CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC001595055560	951491844	/nfs/dbraw/zinc/49/18/44/951491844.db2.gz	TWORMZHSTBEULA-UHFFFAOYSA-N	-1	0	379.369	0.807	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1=O	ZINC001595089167	951755988	/nfs/dbraw/zinc/75/59/88/951755988.db2.gz	AQACWKCDUGJPLC-ZDUSSCGKSA-N	-1	0	378.385	0.979	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@](C)(O)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000471453165	953520160	/nfs/dbraw/zinc/52/01/60/953520160.db2.gz	QUQALCLBCRZMGC-DYVFJYSZSA-N	-1	0	379.369	0.460	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000566235469	953624240	/nfs/dbraw/zinc/62/42/40/953624240.db2.gz	UBYXKLAAGKCQJA-RISCZKNCSA-N	-1	0	399.425	0.785	20	5		GCBDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001589298253	953666038	/nfs/dbraw/zinc/66/60/38/953666038.db2.gz	KQXOBXUNUFKGMY-UWVGGRQHSA-N	-1	0	375.337	0.903	20	5		GCBDRM
Nc1c(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cc(F)cc1[N+](=O)[O-]	ZINC000593920351	953756163	/nfs/dbraw/zinc/75/61/63/953756163.db2.gz	CVUUAAVJHHLPCS-SECBINFHSA-N	-1	0	394.359	0.854	20	5		GCBDRM
CN(C)c1cc(F)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001593710634	954183910	/nfs/dbraw/zinc/18/39/10/954183910.db2.gz	IFNHVLIVGHNMQX-GFCCVEGCSA-N	-1	0	389.361	0.124	20	5		GCBDRM
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001593714740	954201068	/nfs/dbraw/zinc/20/10/68/954201068.db2.gz	KIPZVMSZLVOFCD-CYBMUJFWSA-N	-1	0	378.385	0.856	20	5		GCBDRM
O=C([O-])C1=NO[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC001594893710	954553787	/nfs/dbraw/zinc/55/37/87/954553787.db2.gz	WRNMCCQHWNGHBJ-ZDUSSCGKSA-N	-1	0	376.325	0.109	20	5		GCBDRM
O=C([O-])C1CCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC001594934835	954848240	/nfs/dbraw/zinc/84/82/40/954848240.db2.gz	BZSGMDPLQVUPRI-UHFFFAOYSA-N	-1	0	398.441	0.758	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC001594959699	955000913	/nfs/dbraw/zinc/00/09/13/955000913.db2.gz	BEDQOIJQTVCHJY-JTQLQIEISA-N	-1	0	396.299	0.937	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC001594960595	955012633	/nfs/dbraw/zinc/01/26/33/955012633.db2.gz	ZYSNOSNPIYZTBT-CYBMUJFWSA-N	-1	0	381.366	0.329	20	5		GCBDRM
COC(=O)C1CC2(C1)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C[C@@H]2C(=O)[O-]	ZINC001593826345	955106060	/nfs/dbraw/zinc/10/60/60/955106060.db2.gz	QWQBTDZTSKNFGI-XNVJVGRKSA-N	-1	0	398.393	0.869	20	5		GCBDRM
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC001593843116	955379006	/nfs/dbraw/zinc/37/90/06/955379006.db2.gz	FZSNWORHFMVYMH-UHFFFAOYSA-N	-1	0	378.334	0.681	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000821252807	955497374	/nfs/dbraw/zinc/49/73/74/955497374.db2.gz	ZAOASDMZGBXENC-LBPRGKRZSA-N	-1	0	381.366	0.973	20	5		GCBDRM
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000846712983	955721861	/nfs/dbraw/zinc/72/18/61/955721861.db2.gz	VKIPPMYPRZIVAG-JTQLQIEISA-N	-1	0	376.369	0.715	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CCO1	ZINC001593982680	956723553	/nfs/dbraw/zinc/72/35/53/956723553.db2.gz	CMLHDKRQHJZQLC-OAHLLOKOSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CCO1	ZINC001593982674	956724126	/nfs/dbraw/zinc/72/41/26/956724126.db2.gz	CMLHDKRQHJZQLC-HNNXBMFYSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1	ZINC001593983369	956729405	/nfs/dbraw/zinc/72/94/05/956729405.db2.gz	GXHGBZJDHZAIHK-HNNXBMFYSA-N	-1	0	388.398	0.269	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1	ZINC001593984169	956744110	/nfs/dbraw/zinc/74/41/10/956744110.db2.gz	FVKOUJCBAOXYRA-ZDUSSCGKSA-N	-1	0	394.789	0.739	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C2	ZINC001594737352	957084295	/nfs/dbraw/zinc/08/42/95/957084295.db2.gz	RZTIPYKPROFBCX-FVMDXXJSSA-N	-1	0	397.771	0.538	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1C	ZINC001594329484	958205347	/nfs/dbraw/zinc/20/53/47/958205347.db2.gz	DUYBWBNJGULGBO-ZDUSSCGKSA-N	-1	0	399.425	0.956	20	5		GCBDRM
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001573366011	958625854	/nfs/dbraw/zinc/62/58/54/958625854.db2.gz	ZAPQELPBXYZFJZ-SECBINFHSA-N	-1	0	384.776	0.804	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@H](C)C(=O)[O-]	ZINC001588508124	958745885	/nfs/dbraw/zinc/74/58/85/958745885.db2.gz	AIZBRZTWSIEBKZ-SECBINFHSA-N	-1	0	384.364	0.851	20	5		GCBDRM
C[C@@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1C(=O)[O-]	ZINC001573726480	960412497	/nfs/dbraw/zinc/41/24/97/960412497.db2.gz	NCNZZQYBLUVUEI-OTYXRUKQSA-N	-1	0	375.337	0.903	20	5		GCBDRM
O=C([O-])C[C@@H]1COCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262231430	961575003	/nfs/dbraw/zinc/57/50/03/961575003.db2.gz	MHMCVOLHGFBTTM-LLVKDONJSA-N	-1	0	379.325	0.022	20	5		GCBDRM
O=C([O-])C1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000262253010	961595012	/nfs/dbraw/zinc/59/50/12/961595012.db2.gz	DCLHRHQXFPWLRJ-UHFFFAOYSA-N	-1	0	383.382	0.293	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc([N+](=O)[O-])c1	ZINC000262408272	961700965	/nfs/dbraw/zinc/70/09/65/961700965.db2.gz	OXKOHFYIYSKXEM-MEDUHNTESA-N	-1	0	398.393	0.562	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1	ZINC000262625962	961789831	/nfs/dbraw/zinc/78/98/31/961789831.db2.gz	NRPJDWAMYBMAFN-AWEZNQCLSA-N	-1	0	377.353	0.756	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1	ZINC000262627060	961789855	/nfs/dbraw/zinc/78/98/55/961789855.db2.gz	NRPJDWAMYBMAFN-CQSZACIVSA-N	-1	0	377.353	0.756	20	5		GCBDRM
O=C([O-])[C@@]1(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOC1	ZINC001335363977	961916326	/nfs/dbraw/zinc/91/63/26/961916326.db2.gz	MHOMINQRNBUOQV-OAHLLOKOSA-N	-1	0	385.398	0.145	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC1(C(=O)[O-])CCOCC1	ZINC000262860666	961925943	/nfs/dbraw/zinc/92/59/43/961925943.db2.gz	DCGPTTRWJRQPBK-UHFFFAOYSA-N	-1	0	393.352	0.318	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1(C(=O)[O-])CC=CC1	ZINC001574013911	961933380	/nfs/dbraw/zinc/93/33/80/961933380.db2.gz	JYEUOULSOZYYHZ-UHFFFAOYSA-N	-1	0	397.409	0.753	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(C(=O)[O-])CCC1	ZINC001574014173	961937978	/nfs/dbraw/zinc/93/79/78/961937978.db2.gz	VHRPOILMYLJCGM-UHFFFAOYSA-N	-1	0	385.398	0.586	20	5		GCBDRM
O=C([O-])C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCOCC1	ZINC000262908869	961988199	/nfs/dbraw/zinc/98/81/99/961988199.db2.gz	HEUQXSUYWXAIRL-UHFFFAOYSA-N	-1	0	375.341	0.787	20	5		GCBDRM
O=C([O-])[C@H](CC(F)(F)F)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262953304	962038486	/nfs/dbraw/zinc/03/84/86/962038486.db2.gz	LLLFCMUDQFHYPO-QMMMGPOBSA-N	-1	0	391.258	0.842	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	ZINC001574669941	962547349	/nfs/dbraw/zinc/54/73/49/962547349.db2.gz	XWXNEKOPPRAUQZ-CYBMUJFWSA-N	-1	0	381.366	0.260	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1	ZINC001574141953	962581855	/nfs/dbraw/zinc/58/18/55/962581855.db2.gz	QVCWPFVAZPHVMS-KRWDZBQOSA-N	-1	0	377.353	0.947	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c(C)cc1[N+](=O)[O-]	ZINC001605219907	972969599	/nfs/dbraw/zinc/96/95/99/972969599.db2.gz	UPSMWTXNFMVUMF-GFCCVEGCSA-N	-1	0	399.425	0.956	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC001606053681	973159901	/nfs/dbraw/zinc/15/99/01/973159901.db2.gz	HNPKCPAEXSSNPB-LLVKDONJSA-N	-1	0	376.774	0.501	20	5		GCBDRM
C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC001603442945	973237113	/nfs/dbraw/zinc/23/71/13/973237113.db2.gz	NFPGOEJMAJSCHQ-MNOVXSKESA-N	-1	0	385.398	0.442	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)CCO1	ZINC001604557004	973592028	/nfs/dbraw/zinc/59/20/28/973592028.db2.gz	JTWPAPQEMOLNNG-MRXNPFEDSA-N	-1	0	399.331	0.635	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC001606258315	973610274	/nfs/dbraw/zinc/61/02/74/973610274.db2.gz	CUWWCTDBRWEGSQ-AWEZNQCLSA-N	-1	0	399.425	0.522	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC001606258316	973610290	/nfs/dbraw/zinc/61/02/90/973610290.db2.gz	CUWWCTDBRWEGSQ-CQSZACIVSA-N	-1	0	399.425	0.522	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1	ZINC001604565220	973630153	/nfs/dbraw/zinc/63/01/53/973630153.db2.gz	RTGRFYYJEQLOIR-CYBMUJFWSA-N	-1	0	378.334	0.225	20	5		GCBDRM
C[C@@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000566482018	974612807	/nfs/dbraw/zinc/61/28/07/974612807.db2.gz	CQGKPGWNXADDTK-GFCCVEGCSA-N	-1	0	399.425	0.929	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CCN(C(=O)CCC(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000567844365	974645965	/nfs/dbraw/zinc/64/59/65/974645965.db2.gz	IJRPFQUQTWXXFI-UHFFFAOYSA-N	-1	0	385.398	0.512	20	5		GCBDRM
COCCOC[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000572153421	974742739	/nfs/dbraw/zinc/74/27/39/974742739.db2.gz	VPCZWPFFUZAATJ-NSHDSACASA-N	-1	0	388.398	0.967	20	5		GCBDRM
CO[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1	ZINC000575431292	974800259	/nfs/dbraw/zinc/80/02/59/974800259.db2.gz	ZXOQDNUKQPPZOT-KBPBESRZSA-N	-1	0	379.369	0.805	20	5		GCBDRM
O=C([O-])c1cn([C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)nn1	ZINC000592448396	974975077	/nfs/dbraw/zinc/97/50/77/974975077.db2.gz	BYXVWYCDUQNNHF-JTQLQIEISA-N	-1	0	381.370	0.910	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600661695	975004703	/nfs/dbraw/zinc/00/47/03/975004703.db2.gz	YALGEKQYESHNKT-RTHLEPHNSA-N	-1	0	392.361	0.995	20	5		GCBDRM
COc1cc(CCNC(=O)Cn2cc(C(=O)[O-])cn2)c([N+](=O)[O-])cc1OC	ZINC000600868563	975007612	/nfs/dbraw/zinc/00/76/12/975007612.db2.gz	HACGIHMSFVXDSI-UHFFFAOYSA-N	-1	0	378.341	0.866	20	5		GCBDRM
CN1CCN(C(=O)C2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)CC1	ZINC000738013402	978465728	/nfs/dbraw/zinc/46/57/28/978465728.db2.gz	NMFRENHSYWTSQD-UHFFFAOYSA-N	-1	0	377.401	0.678	20	5		GCBDRM
O=C([O-])[C@]12CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@H]1COCC2	ZINC000794768232	978821375	/nfs/dbraw/zinc/82/13/75/978821375.db2.gz	HLJWXCAFOCNNCA-DYZYQPBXSA-N	-1	0	378.337	0.929	20	5		GCBDRM
O=C([O-])[C@]12CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]1COCC2	ZINC000830057669	979011707	/nfs/dbraw/zinc/01/17/07/979011707.db2.gz	DPFPCGRDYHAOGU-XJKSGUPXSA-N	-1	0	384.410	0.890	20	5		GCBDRM
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CN1CCOCC1	ZINC001592723031	979229093	/nfs/dbraw/zinc/22/90/93/979229093.db2.gz	UABBDVZKWGWIOC-NSHDSACASA-N	-1	0	387.414	0.540	20	5		GCBDRM
CS(=O)(=O)N1CCN(CCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844207176	979355655	/nfs/dbraw/zinc/35/56/55/979355655.db2.gz	BKHRJYRBBDMHEZ-HYXAFXHYSA-N	-1	0	398.441	0.682	20	5		GCBDRM
CC[C@@](COC)(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC001595193759	979890830	/nfs/dbraw/zinc/89/08/30/979890830.db2.gz	BEUYLWALLBTACH-SFHVURJKSA-N	-1	0	394.428	0.713	20	5		GCBDRM
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000864213134	979899585	/nfs/dbraw/zinc/89/95/85/979899585.db2.gz	ZTGCTJDJFXPRPP-IAQYHMDHSA-N	-1	0	379.369	0.651	20	5		GCBDRM
CCC[C@@]1(C)C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001595615808	981638981	/nfs/dbraw/zinc/63/89/81/981638981.db2.gz	FZANBTRZYUZBDG-HNNXBMFYSA-N	-1	0	385.398	0.972	20	5		GCBDRM
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001596206900	983593680	/nfs/dbraw/zinc/59/36/80/983593680.db2.gz	KOQOTUJHPFJHLD-CYBMUJFWSA-N	-1	0	399.425	0.418	20	5		GCBDRM
CCOC(=O)N1CCN(C(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001596651550	984680264	/nfs/dbraw/zinc/68/02/64/984680264.db2.gz	BMGPHIQKSWRWAR-UHFFFAOYSA-N	-1	0	381.341	0.973	20	5		GCBDRM
C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[C@H]1C(=O)[O-]	ZINC001599916730	985068096	/nfs/dbraw/zinc/06/80/96/985068096.db2.gz	VJOHOSQQHKOJRJ-VHSXEESVSA-N	-1	0	375.337	0.760	20	5		GCBDRM
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[C@@H](C(=O)[O-])O1	ZINC001599924685	985184168	/nfs/dbraw/zinc/18/41/68/985184168.db2.gz	WNBGRRAFFNAETL-NHYWBVRUSA-N	-1	0	379.369	0.746	20	5		GCBDRM
C[C@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C[C@@H](C(=O)[O-])O1	ZINC001599924842	985185846	/nfs/dbraw/zinc/18/58/46/985185846.db2.gz	KDLNKJYMDLJPRM-ZANVPECISA-N	-1	0	391.336	0.562	20	5		GCBDRM
CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1	ZINC001589128645	985407745	/nfs/dbraw/zinc/40/77/45/985407745.db2.gz	AHBKTQGGZIJIHP-LLVKDONJSA-N	-1	0	385.398	0.830	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@H](C)CN1CCO	ZINC001594557256	986303366	/nfs/dbraw/zinc/30/33/66/986303366.db2.gz	WULGCPMAXONZFN-GHMZBOCLSA-N	-1	0	387.414	0.369	20	5		GCBDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC001589349768	986303500	/nfs/dbraw/zinc/30/35/00/986303500.db2.gz	KKCADLYMARHRSR-ZDUSSCGKSA-N	-1	0	391.428	0.824	20	5		GCBDRM
CCOc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC001597059478	986543632	/nfs/dbraw/zinc/54/36/32/986543632.db2.gz	DQYSBFYHVPBIQS-LLVKDONJSA-N	-1	0	386.382	0.707	20	5		GCBDRM
C[C@@H](C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1F	ZINC001589413649	986618539	/nfs/dbraw/zinc/61/85/39/986618539.db2.gz	ILYXMWDRTYXEAS-IPZIOGDXSA-N	-1	0	388.373	0.842	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001597563489	988315813	/nfs/dbraw/zinc/31/58/13/988315813.db2.gz	NVUBIFUHLKRYQY-NEPJUHHUSA-N	-1	0	386.382	0.652	20	5		GCBDRM
C[C@@H](O)[C@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001599843496	988891263	/nfs/dbraw/zinc/89/12/63/988891263.db2.gz	HQXXJJQJUUBABE-KRTXAFLBSA-N	-1	0	390.190	0.744	20	5		GCBDRM
CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001598259666	991084340	/nfs/dbraw/zinc/08/43/40/991084340.db2.gz	NMUSPGPXKKTZJI-ZDUSSCGKSA-N	-1	0	385.398	0.789	20	5		GCBDRM
CN(CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598387022	991615286	/nfs/dbraw/zinc/61/52/86/991615286.db2.gz	POTKHASANDMZEH-QWHCGFSZSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CN(CC(=O)NC[C@@H](O)CC(=O)[O-])c1cc(Br)ccc1[N+](=O)[O-]	ZINC001598392199	991642355	/nfs/dbraw/zinc/64/23/55/991642355.db2.gz	KYHLEWKNFOCPJI-VIFPVBQESA-N	-1	0	390.190	0.745	20	5		GCBDRM
CS(=O)(=O)[C@@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001599746429	991934919	/nfs/dbraw/zinc/93/49/19/991934919.db2.gz	GHBBSIZUMUNUQS-GFCCVEGCSA-N	-1	0	399.425	0.813	20	5		GCBDRM
CS(=O)(=O)N=S1(=O)CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001599757426	992072935	/nfs/dbraw/zinc/07/29/35/992072935.db2.gz	RDRODCSVUOIKOG-UHFFFAOYSA-N	-1	0	391.427	0.470	20	5		GCBDRM
CN(Cc1cnn(C)c1)C(=O)CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001598534616	992836190	/nfs/dbraw/zinc/83/61/90/992836190.db2.gz	SALYEWHEFPZRIO-KRWDZBQOSA-N	-1	0	375.385	0.876	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1=O	ZINC001598561960	993096997	/nfs/dbraw/zinc/09/69/97/993096997.db2.gz	GLHJBWQWFLREHW-GFCCVEGCSA-N	-1	0	388.336	0.276	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O	ZINC001598566346	993149137	/nfs/dbraw/zinc/14/91/37/993149137.db2.gz	VIECTGYWKVIQHK-SECBINFHSA-N	-1	0	377.762	0.164	20	5		GCBDRM
CN1CCN(C(=O)C2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)CC1	ZINC001598605173	993637416	/nfs/dbraw/zinc/63/74/16/993637416.db2.gz	DEZVPBPQWZFTGI-UHFFFAOYSA-N	-1	0	377.401	0.678	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593169659	994021170	/nfs/dbraw/zinc/02/11/70/994021170.db2.gz	AXYFGBMZPJORBC-DIFFPNOSSA-N	-1	0	379.369	0.793	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593169661	994021371	/nfs/dbraw/zinc/02/13/71/994021371.db2.gz	AXYFGBMZPJORBC-PIGZYNQJSA-N	-1	0	379.369	0.793	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593169810	994023093	/nfs/dbraw/zinc/02/30/93/994023093.db2.gz	GCRHLFJXYWWPGP-LBPRGKRZSA-N	-1	0	394.428	0.691	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCN3C(=O)CC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593171421	994030305	/nfs/dbraw/zinc/03/03/05/994030305.db2.gz	VMAXRHPKNAZHDW-JQWIXIFHSA-N	-1	0	376.369	0.609	20	5		GCBDRM
COC(=O)[C@H](CCC(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC001598698582	995184069	/nfs/dbraw/zinc/18/40/69/995184069.db2.gz	MBDCUVLAASLEHK-JTQLQIEISA-N	-1	0	385.398	0.821	20	5		GCBDRM
C[C@@H](O)c1cn(C2CN(Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C2)nn1	ZINC001593476880	995412000	/nfs/dbraw/zinc/41/20/00/995412000.db2.gz	BPHUOOSRTXIWBQ-SNVBAGLBSA-N	-1	0	377.357	0.760	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001598752484	995672777	/nfs/dbraw/zinc/67/27/77/995672777.db2.gz	SDNLUZVGUWTXNW-DYEKYZERSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC001598780954	995983161	/nfs/dbraw/zinc/98/31/61/995983161.db2.gz	WCEGLNLAXUBQKC-KWQFWETISA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC001598780955	995983884	/nfs/dbraw/zinc/98/38/84/995983884.db2.gz	WCEGLNLAXUBQKC-LDYMZIIASA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598826559	996389471	/nfs/dbraw/zinc/38/94/71/996389471.db2.gz	NIGUMSJASZBNJW-BDAKNGLRSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)CC[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC001598845468	996561922	/nfs/dbraw/zinc/56/19/22/996561922.db2.gz	BZYNHJZDQKNUQM-CQSZACIVSA-N	-1	0	379.369	0.759	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1[N+](=O)[O-]	ZINC001599483142	996800532	/nfs/dbraw/zinc/80/05/32/996800532.db2.gz	WJDYXYQUJFZDNO-QWHCGFSZSA-N	-1	0	391.380	0.902	20	5		GCBDRM
CC1(C)CN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCO1	ZINC001593939271	996923772	/nfs/dbraw/zinc/92/37/72/996923772.db2.gz	BAZZGEBVPVEEIT-UHFFFAOYSA-N	-1	0	387.414	0.682	20	5		GCBDRM
COc1cc(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c([N+](=O)[O-])cc1OC	ZINC001599385974	996945790	/nfs/dbraw/zinc/94/57/90/996945790.db2.gz	GDAKQJMLBNEJLH-NSHDSACASA-N	-1	0	382.325	0.844	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001599462180	998292028	/nfs/dbraw/zinc/29/20/28/998292028.db2.gz	RUFHNPJRUOXMAY-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
COc1ccc(CSCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC001599574975	998427141	/nfs/dbraw/zinc/42/71/41/998427141.db2.gz	COJWMIGSWGIMAL-LBPRGKRZSA-N	-1	0	397.409	0.638	20	5		GCBDRM
COc1ccc(CSCC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001599575836	998441738	/nfs/dbraw/zinc/44/17/38/998441738.db2.gz	MJQGPIQXBIGVGP-GFCCVEGCSA-N	-1	0	397.409	0.590	20	5		GCBDRM
COC[C@H](CS(=O)(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)OC	ZINC001599167032	998557726	/nfs/dbraw/zinc/55/77/26/998557726.db2.gz	USFUHWZTPXMDFR-OCCSQVGLSA-N	-1	0	376.387	0.475	20	5		GCBDRM
C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC[S@@]1=O	ZINC001594431571	999606350	/nfs/dbraw/zinc/60/63/50/999606350.db2.gz	BCWAGUJIXJYNJN-KLVQOETNSA-N	-1	0	376.412	0.825	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000577956555	530123359	/nfs/dbraw/zinc/12/33/59/530123359.db2.gz	GCZYCPARQHBOTB-MRVPVSSYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000285886741	530125113	/nfs/dbraw/zinc/12/51/13/530125113.db2.gz	BSSDOHNYGHXPGJ-JTQLQIEISA-N	-1	0	385.320	0.853	20	5		GCBDRM
NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)O1	ZINC000286167147	530125846	/nfs/dbraw/zinc/12/58/46/530125846.db2.gz	YIHXHHGYLQPTSH-IONNQARKSA-N	-1	0	381.769	0.699	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000579717939	530193400	/nfs/dbraw/zinc/19/34/00/530193400.db2.gz	MDJSLSGVKCLCKD-MRVPVSSYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2CCC[C@@](COC)(C(=O)[O-])C2)c([N+](=O)[O-])n1	ZINC000518362672	530187940	/nfs/dbraw/zinc/18/79/40/530187940.db2.gz	RTQXWFFLRDCHFH-CYBMUJFWSA-N	-1	0	376.391	0.313	20	5		GCBDRM
O=C1CN(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1	ZINC000512447844	530224493	/nfs/dbraw/zinc/22/44/93/530224493.db2.gz	OAUNBMZAQWWJAF-UHFFFAOYSA-N	-1	0	397.240	0.612	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC)cc2)c([N+](=O)[O-])n1	ZINC000610938332	530226041	/nfs/dbraw/zinc/22/60/41/530226041.db2.gz	QKMBDSSMEAUHGK-UHFFFAOYSA-N	-1	0	389.415	0.520	20	5		GCBDRM
C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1	ZINC000610212478	530209977	/nfs/dbraw/zinc/20/99/77/530209977.db2.gz	ZPSCAGSHJZYLDP-VIFPVBQESA-N	-1	0	386.411	0.677	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000262349758	530220623	/nfs/dbraw/zinc/22/06/23/530220623.db2.gz	AUHZBQFLDWSLPZ-MRVPVSSYSA-N	-1	0	377.350	0.334	20	5		GCBDRM
O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000285339083	530221072	/nfs/dbraw/zinc/22/10/72/530221072.db2.gz	YHQDYIIVZDAGKH-UHFFFAOYSA-N	-1	0	380.741	0.217	20	5		GCBDRM
CS(=O)(=O)CCCCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000573202914	530295380	/nfs/dbraw/zinc/29/53/80/530295380.db2.gz	OGOIEZFYQYYHFG-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000573255153	530296546	/nfs/dbraw/zinc/29/65/46/530296546.db2.gz	MXEMXRODYAFNHC-MRVPVSSYSA-N	-1	0	392.411	0.537	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000573255154	530296762	/nfs/dbraw/zinc/29/67/62/530296762.db2.gz	MXEMXRODYAFNHC-QMMMGPOBSA-N	-1	0	392.411	0.537	20	5		GCBDRM
O=C([O-])CCN(CCO)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000614376015	530309934	/nfs/dbraw/zinc/30/99/34/530309934.db2.gz	VGHOSEPCMTXGGW-UHFFFAOYSA-N	-1	0	397.203	0.815	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1	ZINC000580966793	530324900	/nfs/dbraw/zinc/32/49/00/530324900.db2.gz	MXIOTLDAKFWYSX-SECBINFHSA-N	-1	0	395.187	0.831	20	5		GCBDRM
CS(=O)(=O)CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000581373453	530325439	/nfs/dbraw/zinc/32/54/39/530325439.db2.gz	WVDNFBOGIJWCTL-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
O=C(NCC1(O)CCS(=O)(=O)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000580314076	530357678	/nfs/dbraw/zinc/35/76/78/530357678.db2.gz	YVWUCZWHFYPSBG-UHFFFAOYSA-N	-1	0	378.790	0.623	20	5		GCBDRM
C[C@@](O)(CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000580161156	530335518	/nfs/dbraw/zinc/33/55/18/530335518.db2.gz	WJVKRKOVENHVRH-LLVKDONJSA-N	-1	0	394.121	0.765	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000563231805	530348876	/nfs/dbraw/zinc/34/88/76/530348876.db2.gz	ONEVPGQEKMDPRE-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000563718634	530349941	/nfs/dbraw/zinc/34/99/41/530349941.db2.gz	WVNXIDPQLCUWTC-DNKNOMGSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)c1[N+](=O)[O-]	ZINC000563814439	530350129	/nfs/dbraw/zinc/35/01/29/530350129.db2.gz	SGNVHBDOXSEWQR-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1	ZINC000564208400	530350390	/nfs/dbraw/zinc/35/03/90/530350390.db2.gz	GEQVEQITAIZYJL-LLVKDONJSA-N	-1	0	384.288	0.981	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000564457684	530350871	/nfs/dbraw/zinc/35/08/71/530350871.db2.gz	IYKHLOIGWKSBGI-SFDCACGMSA-N	-1	0	376.412	0.363	20	5		GCBDRM
CS(=O)(=O)CCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000564917486	530351079	/nfs/dbraw/zinc/35/10/79/530351079.db2.gz	VOFFXRLMIIRMRW-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
CS(=O)(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000565027723	530351456	/nfs/dbraw/zinc/35/14/56/530351456.db2.gz	ZPCSCSVQGAICFQ-MRVPVSSYSA-N	-1	0	377.806	0.965	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000565061309	530351666	/nfs/dbraw/zinc/35/16/66/530351666.db2.gz	XWTWVLGAQWLMDM-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	ZINC000266311313	530478506	/nfs/dbraw/zinc/47/85/06/530478506.db2.gz	FFEBYBBHOYWZLA-UHFFFAOYSA-N	-1	0	388.793	0.729	20	5		GCBDRM
C[S@@](=O)C1(C(=O)[O-])CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1	ZINC000567985171	530476992	/nfs/dbraw/zinc/47/69/92/530476992.db2.gz	OHJVIROKNJOZDT-XMMPIXPASA-N	-1	0	391.427	0.044	20	5		GCBDRM
O=C([O-])c1c(NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-]	ZINC000568003007	530477285	/nfs/dbraw/zinc/47/72/85/530477285.db2.gz	UDBLKLLNDSYEQY-SECBINFHSA-N	-1	0	392.411	0.860	20	5		GCBDRM
CS(=O)(=O)CC1(CNS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC000568638038	530490349	/nfs/dbraw/zinc/49/03/49/530490349.db2.gz	KGDRGRRVSOQEKX-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)S(C)(=O)=O	ZINC000568889002	530494859	/nfs/dbraw/zinc/49/48/59/530494859.db2.gz	LMPZAANJBHAUOH-DTWKUNHWSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CS(=O)(=O)CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000571400802	530507193	/nfs/dbraw/zinc/50/71/93/530507193.db2.gz	YPPXHSBPBFMKHA-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000574573074	530515751	/nfs/dbraw/zinc/51/57/51/530515751.db2.gz	XKXOOSHXUALYMV-HQJQHLMTSA-N	-1	0	378.334	0.511	20	5		GCBDRM
NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000584826434	530517186	/nfs/dbraw/zinc/51/71/86/530517186.db2.gz	MZILOTSKNPGBNV-ZCFIWIBFSA-N	-1	0	385.276	0.221	20	5		GCBDRM
O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436901204	530527404	/nfs/dbraw/zinc/52/74/04/530527404.db2.gz	QRHXSGXFPCMSAL-JTQLQIEISA-N	-1	0	386.407	0.927	20	5		GCBDRM
CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000299439807	530529708	/nfs/dbraw/zinc/52/97/08/530529708.db2.gz	WUBVLEKIICXKOB-UHFFFAOYSA-N	-1	0	383.423	0.684	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000574695587	530561214	/nfs/dbraw/zinc/56/12/14/530561214.db2.gz	RYWJNGGPNHVKCL-MRVPVSSYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CCS(=O)(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000414388681	530598394	/nfs/dbraw/zinc/59/83/94/530598394.db2.gz	CJPDVICVRZKKGQ-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
O=C([O-])Cn1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nn1	ZINC000439722952	530666136	/nfs/dbraw/zinc/66/61/36/530666136.db2.gz	WGJQXUCPIAGPOP-UHFFFAOYSA-N	-1	0	398.173	0.892	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000274919117	530699855	/nfs/dbraw/zinc/69/98/55/530699855.db2.gz	AQMIJEZWCMFXEG-SECBINFHSA-N	-1	0	376.368	0.530	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000592130342	530756782	/nfs/dbraw/zinc/75/67/82/530756782.db2.gz	CUWGZSXRULKMGB-VIFPVBQESA-N	-1	0	392.411	0.409	20	5		GCBDRM
C[C@]1(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCS(=O)(=O)C1	ZINC000592133019	530757395	/nfs/dbraw/zinc/75/73/95/530757395.db2.gz	KJOHCIKLUOZUFG-LBPRGKRZSA-N	-1	0	378.384	0.149	20	5		GCBDRM
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000592752243	530783321	/nfs/dbraw/zinc/78/33/21/530783321.db2.gz	BNUQRRROBAZHLB-QMMMGPOBSA-N	-1	0	392.821	0.599	20	5		GCBDRM
NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000592752242	530783482	/nfs/dbraw/zinc/78/34/82/530783482.db2.gz	BNUQRRROBAZHLB-MRVPVSSYSA-N	-1	0	392.821	0.599	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000593305750	530799355	/nfs/dbraw/zinc/79/93/55/530799355.db2.gz	NSAPURJQHMFFBX-MRVPVSSYSA-N	-1	0	378.384	0.006	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593305770	530799765	/nfs/dbraw/zinc/79/97/65/530799765.db2.gz	OLFORQWGOJVQMK-QMMMGPOBSA-N	-1	0	378.384	0.006	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000593305751	530800113	/nfs/dbraw/zinc/80/01/13/530800113.db2.gz	NSAPURJQHMFFBX-QMMMGPOBSA-N	-1	0	378.384	0.006	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593305769	530800232	/nfs/dbraw/zinc/80/02/32/530800232.db2.gz	OLFORQWGOJVQMK-MRVPVSSYSA-N	-1	0	378.384	0.006	20	5		GCBDRM
CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1	ZINC000349531344	530806607	/nfs/dbraw/zinc/80/66/07/530806607.db2.gz	HPJSJVBKPQEUHW-UHFFFAOYSA-N	-1	0	380.448	0.712	20	5		GCBDRM
CNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000592947948	530788373	/nfs/dbraw/zinc/78/83/73/530788373.db2.gz	DLLDDICJIVKIAI-UHFFFAOYSA-N	-1	0	378.794	0.176	20	5		GCBDRM
COCCCS(=O)(=O)NCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000273613231	530816487	/nfs/dbraw/zinc/81/64/87/530816487.db2.gz	PTSNESRQCBDBBW-UHFFFAOYSA-N	-1	0	381.794	0.848	20	5		GCBDRM
NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000274973869	530869251	/nfs/dbraw/zinc/86/92/51/530869251.db2.gz	CPMPQGDOPAPQON-XVKPBYJWSA-N	-1	0	391.789	0.587	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](C[C@@H](OC)C2CC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000594573757	530869951	/nfs/dbraw/zinc/86/99/51/530869951.db2.gz	RXWRMVWEJSGFEH-NXEZZACHSA-N	-1	0	376.391	0.358	20	5		GCBDRM
CCOC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000576754096	530870935	/nfs/dbraw/zinc/87/09/35/530870935.db2.gz	QLWSOQMLUOLCIK-MRVPVSSYSA-N	-1	0	376.343	0.134	20	5		GCBDRM
O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000274903581	530905519	/nfs/dbraw/zinc/90/55/19/530905519.db2.gz	IUAOJUNWSREHHQ-VIFPVBQESA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000275069272	530906237	/nfs/dbraw/zinc/90/62/37/530906237.db2.gz	GTIUBADGRPHCJZ-VIFPVBQESA-N	-1	0	395.187	0.831	20	5		GCBDRM
O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275015474	530906469	/nfs/dbraw/zinc/90/64/69/530906469.db2.gz	QPAPCERCMAJLCQ-JTQLQIEISA-N	-1	0	393.805	0.312	20	5		GCBDRM
NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000275167593	530906881	/nfs/dbraw/zinc/90/68/81/530906881.db2.gz	UWJFIFLGNDQRBC-OIBJUYFYSA-N	-1	0	391.789	0.587	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000275173197	530906976	/nfs/dbraw/zinc/90/69/76/530906976.db2.gz	VSAMUFZWSHKGHV-SNVBAGLBSA-N	-1	0	395.187	0.831	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275158792	530907226	/nfs/dbraw/zinc/90/72/26/530907226.db2.gz	ZVKWOWWGJHSOGR-SECBINFHSA-N	-1	0	379.778	0.554	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275158793	530907247	/nfs/dbraw/zinc/90/72/47/530907247.db2.gz	ZVKWOWWGJHSOGR-VIFPVBQESA-N	-1	0	379.778	0.554	20	5		GCBDRM
CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000555124348	530908399	/nfs/dbraw/zinc/90/83/99/530908399.db2.gz	YGNLDTFTIDRBTR-UHFFFAOYSA-N	-1	0	395.415	0.316	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-]	ZINC000275375449	530908847	/nfs/dbraw/zinc/90/88/47/530908847.db2.gz	ZCSXAWYDBJSQBJ-SECBINFHSA-N	-1	0	376.343	0.288	20	5		GCBDRM
O=C([O-])[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1	ZINC000619708988	530882472	/nfs/dbraw/zinc/88/24/72/530882472.db2.gz	LWARIGYRBTZZGE-NSHDSACASA-N	-1	0	395.187	0.879	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000548573628	530882569	/nfs/dbraw/zinc/88/25/69/530882569.db2.gz	NDTJTNOIMCBMTM-CBAPKCEASA-N	-1	0	377.400	0.304	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000548586073	530883268	/nfs/dbraw/zinc/88/32/68/530883268.db2.gz	ATKISQDAXFGANS-SECBINFHSA-N	-1	0	398.802	0.121	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCS1(=O)=O	ZINC000424237143	530888735	/nfs/dbraw/zinc/88/87/35/530888735.db2.gz	HQDHNTRWNFJUCG-LLVKDONJSA-N	-1	0	376.774	0.501	20	5		GCBDRM
O=C([O-])[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424469189	530889169	/nfs/dbraw/zinc/88/91/69/530889169.db2.gz	KJWBPCCVAMDFKL-MRVPVSSYSA-N	-1	0	380.176	0.440	20	5		GCBDRM
C[C@](O)(C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CN1CCOCC1	ZINC000443254332	530894232	/nfs/dbraw/zinc/89/42/32/530894232.db2.gz	SLCHFQQDHBBHFZ-AWEZNQCLSA-N	-1	0	377.394	0.095	20	5		GCBDRM
COCCc1nc(=NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s[n-]1	ZINC000426895039	530894864	/nfs/dbraw/zinc/89/48/64/530894864.db2.gz	FXIVMQADXQXNQR-UHFFFAOYSA-N	-1	0	387.443	0.448	20	5		GCBDRM
CN(c1ccccc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])S(C)(=O)=O	ZINC000600650550	530931613	/nfs/dbraw/zinc/93/16/13/530931613.db2.gz	LXURUOLEOVYMRZ-UHFFFAOYSA-N	-1	0	389.415	0.525	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c(C)c1[N+](=O)[O-]	ZINC000277271746	530912889	/nfs/dbraw/zinc/91/28/89/530912889.db2.gz	ONYJOSXCUQKHPY-GMSGAONNSA-N	-1	0	377.331	0.232	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000277324732	530913105	/nfs/dbraw/zinc/91/31/05/530913105.db2.gz	UWLPAGODULMZCU-CYBMUJFWSA-N	-1	0	380.350	0.494	20	5		GCBDRM
COC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(=O)[O-]	ZINC000274995833	530919115	/nfs/dbraw/zinc/91/91/15/530919115.db2.gz	ACGLLPWHUBBORM-QMMMGPOBSA-N	-1	0	380.762	0.851	20	5		GCBDRM
O=C([O-])Cn1cc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1	ZINC000392656972	530922704	/nfs/dbraw/zinc/92/27/04/530922704.db2.gz	IORHDLNEMNYILT-UHFFFAOYSA-N	-1	0	375.750	0.403	20	5		GCBDRM
Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000555694915	530924360	/nfs/dbraw/zinc/92/43/60/530924360.db2.gz	ONIMQONCKSKDJH-JTQLQIEISA-N	-1	0	388.789	0.956	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000575800384	530926187	/nfs/dbraw/zinc/92/61/87/530926187.db2.gz	PDLJBAUOOHNZPG-MRVPVSSYSA-N	-1	0	394.427	0.703	20	5		GCBDRM
CCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000603640200	530935325	/nfs/dbraw/zinc/93/53/25/530935325.db2.gz	KARWFMIGZQQBMQ-UHFFFAOYSA-N	-1	0	393.443	0.393	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2CCN3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000556778400	530936621	/nfs/dbraw/zinc/93/66/21/530936621.db2.gz	AVBCTQVHDXWOIH-BXKDBHETSA-N	-1	0	375.428	0.887	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000604031626	530937353	/nfs/dbraw/zinc/93/73/53/530937353.db2.gz	MSUYVMZTPAHDIV-SECBINFHSA-N	-1	0	379.416	0.003	20	5		GCBDRM
CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000269852497	530950769	/nfs/dbraw/zinc/95/07/69/530950769.db2.gz	GGLXRPLSUOWLDK-SECBINFHSA-N	-1	0	381.407	0.294	20	5		GCBDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000547913285	531020022	/nfs/dbraw/zinc/02/00/22/531020022.db2.gz	MDYLMTOSXODXJW-JTQLQIEISA-N	-1	0	376.343	0.102	20	5		GCBDRM
CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cnn(CC(=O)NCCO)c2)s1	ZINC000272795903	531096495	/nfs/dbraw/zinc/09/64/95/531096495.db2.gz	CYVDLSDAVQGMMY-UHFFFAOYSA-N	-1	0	389.415	0.108	20	5		GCBDRM
CC(C)[C@H](NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)[O-]	ZINC000422660074	597036736	/nfs/dbraw/zinc/03/67/36/597036736.db2.gz	JQUAUFKGVIFUKD-ZDUSSCGKSA-N	-1	0	381.341	0.920	20	5		GCBDRM
CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](C(=O)[O-])C1	ZINC000818552558	597483900	/nfs/dbraw/zinc/48/39/00/597483900.db2.gz	WLDIOUDLVGAHGW-NSHDSACASA-N	-1	0	375.359	0.067	20	5		GCBDRM
CC(=O)NCCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H](C)C(=O)[O-]	ZINC000819745790	597685516	/nfs/dbraw/zinc/68/55/16/597685516.db2.gz	KDRXGVBBNWXLEJ-LLVKDONJSA-N	-1	0	376.369	0.987	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC000819753148	597686142	/nfs/dbraw/zinc/68/61/42/597686142.db2.gz	QWVADGFTIUTTSO-ZETCQYMHSA-N	-1	0	381.370	0.651	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC000272610922	597689858	/nfs/dbraw/zinc/68/98/58/597689858.db2.gz	HKESSMMLIMTQRO-SNVBAGLBSA-N	-1	0	390.356	0.227	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](C)C(=O)[O-]	ZINC000262253172	597697166	/nfs/dbraw/zinc/69/71/66/597697166.db2.gz	DUJXCZJRWHKXBB-NSHDSACASA-N	-1	0	389.368	0.832	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000274982827	597700172	/nfs/dbraw/zinc/70/01/72/597700172.db2.gz	DJCOVWJSSFOCAF-VIFPVBQESA-N	-1	0	389.386	0.203	20	5		GCBDRM
CC(=O)NCCN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H](C)C(=O)[O-]	ZINC000819744311	597716085	/nfs/dbraw/zinc/71/60/85/597716085.db2.gz	FXWKJFXQMUDNEI-BONVTDFDSA-N	-1	0	392.368	0.526	20	5		GCBDRM
Cc1nn(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(=O)c(-c2nnn[n-]2)c1C	ZINC000737513883	598473067	/nfs/dbraw/zinc/47/30/67/598473067.db2.gz	XUELQGXOQKAXGO-UHFFFAOYSA-N	-1	0	388.319	0.726	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000737604082	599751546	/nfs/dbraw/zinc/75/15/46/599751546.db2.gz	NYFQQTLRWOIZQF-UHFFFAOYSA-N	-1	0	379.369	0.897	20	5		GCBDRM
C[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000592980886	599783663	/nfs/dbraw/zinc/78/36/63/599783663.db2.gz	CTJJUQLDTKONOE-NSHDSACASA-N	-1	0	386.430	0.664	20	5		GCBDRM
C[C@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)NCC(=O)[O-]	ZINC000736693691	599877506	/nfs/dbraw/zinc/87/75/06/599877506.db2.gz	RCYFKHKRKCLWHM-ZETCQYMHSA-N	-1	0	387.732	0.111	20	5		GCBDRM
CC(C)(C(=O)OCCCN1C(=O)CS/C1=C\C(=O)[O-])n1cc([N+](=O)[O-])cn1	ZINC000736233374	599885963	/nfs/dbraw/zinc/88/59/63/599885963.db2.gz	YCSZAMYQCMAZIO-SDQBBNPISA-N	-1	0	398.397	0.961	20	5		GCBDRM
CCC(=O)N1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736839888	599922370	/nfs/dbraw/zinc/92/23/70/599922370.db2.gz	MMAMRLBGRGYXNG-UHFFFAOYSA-N	-1	0	378.385	0.858	20	5		GCBDRM
Cc1cc(=O)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000262987919	599945217	/nfs/dbraw/zinc/94/52/17/599945217.db2.gz	NZHKJFNKTAISGF-CQSZACIVSA-N	-1	0	388.336	0.375	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000610892150	599948414	/nfs/dbraw/zinc/94/84/14/599948414.db2.gz	XKCPPTVBVCUPPJ-NSHDSACASA-N	-1	0	393.381	0.800	20	5		GCBDRM
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@@H](C(=O)[O-])C2)C1=O	ZINC000736740439	599957814	/nfs/dbraw/zinc/95/78/14/599957814.db2.gz	BJIYXCOYWVUPQX-WBMJQRKESA-N	-1	0	378.341	0.105	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCO[C@@H](Cn3cccn3)C2)c([N+](=O)[O-])c1	ZINC000739813860	599968023	/nfs/dbraw/zinc/96/80/23/599968023.db2.gz	YUJYDFIFBZBOBH-CYBMUJFWSA-N	-1	0	389.368	0.511	20	5		GCBDRM
CCN1CCO[C@@H](CNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000737123629	599968666	/nfs/dbraw/zinc/96/86/66/599968666.db2.gz	YRRYEUCDEDGDSE-AAEUAGOBSA-N	-1	0	380.401	0.930	20	5		GCBDRM
CCN1CCO[C@H](CNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000737123630	599968874	/nfs/dbraw/zinc/96/88/74/599968874.db2.gz	YRRYEUCDEDGDSE-DGCLKSJQSA-N	-1	0	380.401	0.930	20	5		GCBDRM
CCOC[C@H](O)CN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000737161637	600002560	/nfs/dbraw/zinc/00/25/60/600002560.db2.gz	ICXHVSWCJRJSTP-OAHLLOKOSA-N	-1	0	381.385	0.448	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000738664652	600161847	/nfs/dbraw/zinc/16/18/47/600161847.db2.gz	JXPYNSNYOONYBU-UHFFFAOYSA-N	-1	0	387.414	0.311	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000739319155	600172724	/nfs/dbraw/zinc/17/27/24/600172724.db2.gz	HBWBHNVCUVGJIT-IUCAKERBSA-N	-1	0	380.309	0.959	20	5		GCBDRM
C[C@@](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])C1CC1	ZINC000538506011	600200391	/nfs/dbraw/zinc/20/03/91/600200391.db2.gz	ZDTGBRHZHWSZQE-HNNXBMFYSA-N	-1	0	385.398	0.633	20	5		GCBDRM
C[C@@H](O)CN1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736675038	600209887	/nfs/dbraw/zinc/20/98/87/600209887.db2.gz	AYHDAMLFDWJLLW-VXGBXAGGSA-N	-1	0	380.401	0.301	20	5		GCBDRM
CNS(=O)(=O)C1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737553638	600239618	/nfs/dbraw/zinc/23/96/18/600239618.db2.gz	URQFWTNRCDPDFM-UHFFFAOYSA-N	-1	0	388.358	0.719	20	5		GCBDRM
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000739633896	600255642	/nfs/dbraw/zinc/25/56/42/600255642.db2.gz	JAFLHJGKIGQVDD-NSHDSACASA-N	-1	0	385.760	0.819	20	5		GCBDRM
Cc1nn(CCC(=O)N(CCN2CCOCC2)CC(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000738921280	600265906	/nfs/dbraw/zinc/26/59/06/600265906.db2.gz	HIPXHYDCSANKNZ-UHFFFAOYSA-N	-1	0	383.405	0.044	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N(C)CCN2CCOCC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657890	600363291	/nfs/dbraw/zinc/36/32/91/600363291.db2.gz	UWGYEERHXLCYQT-LBPRGKRZSA-N	-1	0	380.401	0.566	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N(C)CCN2CCOCC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657888	600363375	/nfs/dbraw/zinc/36/33/75/600363375.db2.gz	UWGYEERHXLCYQT-GFCCVEGCSA-N	-1	0	380.401	0.566	20	5		GCBDRM
CN(CC(=O)N[C@](C)(C(=O)[O-])C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737387471	600380019	/nfs/dbraw/zinc/38/00/19/600380019.db2.gz	BMQRLMJDDZOPNO-HNNXBMFYSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CC(=O)NC[C@H]1CN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000736147235	600396570	/nfs/dbraw/zinc/39/65/70/600396570.db2.gz	GSGXNPACJLLYBT-GWCFXTLKSA-N	-1	0	394.384	0.139	20	5		GCBDRM
CN(CC(=O)N1CCN(C(=O)[O-])CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737390257	600398158	/nfs/dbraw/zinc/39/81/58/600398158.db2.gz	WMFWZASWQYYISN-UHFFFAOYSA-N	-1	0	386.386	0.038	20	5		GCBDRM
O=C([O-])c1cc(OCC(=O)N2CCN(C(=O)C3CC3)CC2)ccc1[N+](=O)[O-]	ZINC000740086901	600441025	/nfs/dbraw/zinc/44/10/25/600441025.db2.gz	CTBNRWLTUWUFKX-UHFFFAOYSA-N	-1	0	377.353	0.753	20	5		GCBDRM
O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000261721189	600537061	/nfs/dbraw/zinc/53/70/61/600537061.db2.gz	FFDBMNWUTJGNDU-SMDDNHRTSA-N	-1	0	397.409	0.681	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1	ZINC000739812643	600611102	/nfs/dbraw/zinc/61/11/02/600611102.db2.gz	ISPVYPWZVYLEOZ-GFCCVEGCSA-N	-1	0	379.369	0.999	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000737786447	600621964	/nfs/dbraw/zinc/62/19/64/600621964.db2.gz	QWWLKBXXQMXQGG-SNVBAGLBSA-N	-1	0	393.352	0.529	20	5		GCBDRM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000272340117	600661710	/nfs/dbraw/zinc/66/17/10/600661710.db2.gz	BRFZCPUMZIBOFH-NEPJUHHUSA-N	-1	0	399.425	0.880	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1	ZINC000760119862	600738352	/nfs/dbraw/zinc/73/83/52/600738352.db2.gz	YJBANGBPSCIXMT-VIFPVBQESA-N	-1	0	395.187	0.831	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NC[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704250	600817639	/nfs/dbraw/zinc/81/76/39/600817639.db2.gz	WDJYOKUWRQKWJJ-YMTOWFKASA-N	-1	0	377.357	0.677	20	5		GCBDRM
COCCNC(=O)Cn1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000737816020	600873084	/nfs/dbraw/zinc/87/30/84/600873084.db2.gz	ZKGSXAXXNWCWJV-UHFFFAOYSA-N	-1	0	391.340	0.504	20	5		GCBDRM
Cc1c(C(=O)N2CCC(CC(=O)[O-])CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832850252	600906546	/nfs/dbraw/zinc/90/65/46/600906546.db2.gz	MMMOVTPIUHEAES-UHFFFAOYSA-N	-1	0	385.398	0.878	20	5		GCBDRM
C[C@@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1	ZINC000828175600	600937744	/nfs/dbraw/zinc/93/77/44/600937744.db2.gz	CRLDCHDQIDQZLU-YMTOWFKASA-N	-1	0	387.352	0.950	20	5		GCBDRM
Cc1c(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832850488	600952993	/nfs/dbraw/zinc/95/29/93/600952993.db2.gz	RPRVHDQCKUDCMJ-LBPRGKRZSA-N	-1	0	397.409	0.878	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000833248724	600986029	/nfs/dbraw/zinc/98/60/29/600986029.db2.gz	YWZSIHJRIQVDJX-UHFFFAOYSA-N	-1	0	380.357	0.179	20	5		GCBDRM
C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	ZINC000600869503	601085839	/nfs/dbraw/zinc/08/58/39/601085839.db2.gz	MOPTZBGVNDBNFH-LLVKDONJSA-N	-1	0	379.369	0.987	20	5		GCBDRM
Cc1cc(N2CC[C@H](NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2=O)n(C)n1	ZINC000738229585	601112004	/nfs/dbraw/zinc/11/20/04/601112004.db2.gz	HCNHTSDYCWYVOO-ZDUSSCGKSA-N	-1	0	387.352	0.870	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCCS(=O)(=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703854	601253995	/nfs/dbraw/zinc/25/39/95/601253995.db2.gz	RVSKLUUAXRYCFU-SNVBAGLBSA-N	-1	0	385.398	0.423	20	5		GCBDRM
CN(C[C@@H](O)CN1CCOCC1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000830706602	601254680	/nfs/dbraw/zinc/25/46/80/601254680.db2.gz	NNQCLHGGBZRPMD-LLVKDONJSA-N	-1	0	384.345	0.331	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000832454955	601260474	/nfs/dbraw/zinc/26/04/74/601260474.db2.gz	HEFYVHQLERVMIG-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C	ZINC000831563845	601295229	/nfs/dbraw/zinc/29/52/29/601295229.db2.gz	ZSENXZIUEWYPDO-AWEZNQCLSA-N	-1	0	389.386	0.160	20	5		GCBDRM
O=C([O-])c1ccc(OCC(=O)N2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1	ZINC000833322096	601338148	/nfs/dbraw/zinc/33/81/48/601338148.db2.gz	VUFCEBZOHAXGTG-UHFFFAOYSA-N	-1	0	377.353	0.753	20	5		GCBDRM
C[C@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000827889350	601373127	/nfs/dbraw/zinc/37/31/27/601373127.db2.gz	BUCRSXGDNXLBNL-UWVGGRQHSA-N	-1	0	386.382	0.706	20	5		GCBDRM
O=C([O-])C[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1	ZINC000578984981	601398068	/nfs/dbraw/zinc/39/80/68/601398068.db2.gz	MTHBQFHCFLTRPX-VIFPVBQESA-N	-1	0	388.354	0.230	20	5		GCBDRM
O=C([O-])[C@@]1(F)CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1	ZINC000833152922	601481804	/nfs/dbraw/zinc/48/18/04/601481804.db2.gz	GVYUMGGAFUIGJP-MRXNPFEDSA-N	-1	0	397.315	0.720	20	5		GCBDRM
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@@H]1C(=O)[O-]	ZINC000828499583	601564416	/nfs/dbraw/zinc/56/44/16/601564416.db2.gz	CNCGOSIQICSQNW-YPMHNXCESA-N	-1	0	399.425	0.773	20	5		GCBDRM
O=C([O-])[C@@H]1COCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000610846678	601608154	/nfs/dbraw/zinc/60/81/54/601608154.db2.gz	HEZCYQQWBKMGQR-LBPRGKRZSA-N	-1	0	379.325	0.595	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1	ZINC000833216110	601668406	/nfs/dbraw/zinc/66/84/06/601668406.db2.gz	ZSPKXVBXLBYFKH-MNOVXSKESA-N	-1	0	397.409	0.963	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1	ZINC000833215367	601670797	/nfs/dbraw/zinc/67/07/97/601670797.db2.gz	HIADAYXNMQZJMU-MNOVXSKESA-N	-1	0	381.341	0.495	20	5		GCBDRM
O=C([O-])C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000833216338	601742468	/nfs/dbraw/zinc/74/24/68/601742468.db2.gz	LOQFHNNVLLFMSF-ZDUSSCGKSA-N	-1	0	380.357	0.096	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832695414	601748846	/nfs/dbraw/zinc/74/88/46/601748846.db2.gz	PUSCGONTBDKGQS-RNCFNFMXSA-N	-1	0	385.398	0.741	20	5		GCBDRM
CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000592379171	601749660	/nfs/dbraw/zinc/74/96/60/601749660.db2.gz	IUNPMFUZOSSWQD-FZMZJTMJSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000263448528	601864866	/nfs/dbraw/zinc/86/48/66/601864866.db2.gz	ZLUWAPDWVKQNNK-INIZCTEOSA-N	-1	0	399.425	0.917	20	5		GCBDRM
Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC000833054724	601975557	/nfs/dbraw/zinc/97/55/57/601975557.db2.gz	SZXPGNICGXFHEG-UHFFFAOYSA-N	-1	0	395.393	0.863	20	5		GCBDRM
O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1	ZINC000833263382	601992184	/nfs/dbraw/zinc/99/21/84/601992184.db2.gz	MROHPCBEZIOEFO-UHFFFAOYSA-N	-1	0	396.381	0.107	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262204808	602033626	/nfs/dbraw/zinc/03/36/26/602033626.db2.gz	JXKIKCMBOSVEDC-OAHLLOKOSA-N	-1	0	385.398	0.586	20	5		GCBDRM
CN(CC(=O)N1CC[C@](C)(C(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000263037784	602034426	/nfs/dbraw/zinc/03/44/26/602034426.db2.gz	DIIULAYIGRKHHX-HNNXBMFYSA-N	-1	0	385.398	0.539	20	5		GCBDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000827263440	602068729	/nfs/dbraw/zinc/06/87/29/602068729.db2.gz	QLXXDOZGHJFHPN-NSHDSACASA-N	-1	0	385.398	0.539	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCC(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702962	602136610	/nfs/dbraw/zinc/13/66/10/602136610.db2.gz	FBSHRXJPALZCLD-JTQLQIEISA-N	-1	0	399.425	0.811	20	5		GCBDRM
CCN(CCC(=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000829705109	602237890	/nfs/dbraw/zinc/23/78/90/602237890.db2.gz	PZVNULDADAHXFL-UHFFFAOYSA-N	-1	0	387.414	0.917	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000262702083	602250426	/nfs/dbraw/zinc/25/04/26/602250426.db2.gz	CKTNTWIUEJLARO-LLVKDONJSA-N	-1	0	399.425	0.893	20	5		GCBDRM
CS(=O)(=O)c1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc(C(=O)[O-])c1	ZINC000486338725	602251904	/nfs/dbraw/zinc/25/19/04/602251904.db2.gz	JXNUWGUKXSVMDJ-UHFFFAOYSA-N	-1	0	395.349	0.497	20	5		GCBDRM
O=C([O-])N1CCC(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	ZINC000738641928	602282230	/nfs/dbraw/zinc/28/22/30/602282230.db2.gz	ZQZSSURRONVVKJ-UHFFFAOYSA-N	-1	0	387.370	0.787	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)cc([N+](=O)[O-])c1	ZINC000833295549	602285794	/nfs/dbraw/zinc/28/57/94/602285794.db2.gz	CDKGCCRWUVMXBA-MRXNPFEDSA-N	-1	0	393.396	0.856	20	5		GCBDRM
COC(=O)c1ccc(OC[C@H](O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1	ZINC000831440416	602299880	/nfs/dbraw/zinc/29/98/80/602299880.db2.gz	ZVXPDFKRWCAWIJ-GFCCVEGCSA-N	-1	0	392.320	0.681	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NC[C@@]2(CCO)CCOC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703869	602324554	/nfs/dbraw/zinc/32/45/54/602324554.db2.gz	SOIRGQDXWLXYHX-APPDUMDISA-N	-1	0	381.385	0.999	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NC[C@@]2(CCO)CCOC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703872	602324715	/nfs/dbraw/zinc/32/47/15/602324715.db2.gz	SOIRGQDXWLXYHX-PIGZYNQJSA-N	-1	0	381.385	0.999	20	5		GCBDRM
COCCOCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826160738	607580172	/nfs/dbraw/zinc/58/01/72/607580172.db2.gz	DGCUQMPQTKDKPT-UHFFFAOYSA-N	-1	0	386.390	0.106	20	5		GCBDRM
CN(Cc1nccn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825998748	607587217	/nfs/dbraw/zinc/58/72/17/607587217.db2.gz	BIYMEBOABKJAJK-UHFFFAOYSA-N	-1	0	378.374	0.329	20	5		GCBDRM
CCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825512132	607594115	/nfs/dbraw/zinc/59/41/15/607594115.db2.gz	VCSMYPOFPZDNHA-UHFFFAOYSA-N	-1	0	398.401	0.737	20	5		GCBDRM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739275783	603197088	/nfs/dbraw/zinc/19/70/88/603197088.db2.gz	ZYOQGTBYZQWUBT-SNVBAGLBSA-N	-1	0	378.341	0.579	20	5		GCBDRM
NC(=O)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCC1	ZINC000826390166	607617108	/nfs/dbraw/zinc/61/71/08/607617108.db2.gz	RKNZMMUAZHIDKY-UHFFFAOYSA-N	-1	0	395.401	0.099	20	5		GCBDRM
O=C([O-])N1CCC[C@@H](NC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000739388364	603300698	/nfs/dbraw/zinc/30/06/98/603300698.db2.gz	QQDGFGLCRQWFNU-BNOWGMLFSA-N	-1	0	382.373	0.431	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2CO)c1-c1nnn[n-]1	ZINC000826500020	607628893	/nfs/dbraw/zinc/62/88/93/607628893.db2.gz	IIUSEBRGDQGIOE-UHFFFAOYSA-N	-1	0	390.381	0.746	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](CCO)C2)c1-c1nnn[n-]1	ZINC000826500195	607632961	/nfs/dbraw/zinc/63/29/61/607632961.db2.gz	OBMNSPSMNMEUNC-SNVBAGLBSA-N	-1	0	382.402	0.558	20	5		GCBDRM
CSC[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826226616	607639430	/nfs/dbraw/zinc/63/94/30/607639430.db2.gz	CUGJRJGIDTYBOZ-GFCCVEGCSA-N	-1	0	388.431	0.167	20	5		GCBDRM
CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@@H]2CCO[C@H]21	ZINC000824790085	607643094	/nfs/dbraw/zinc/64/30/94/607643094.db2.gz	KIEPVGSDWNEYGX-ZEGGKSINSA-N	-1	0	394.413	0.867	20	5		GCBDRM
COCCOC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826160796	607649003	/nfs/dbraw/zinc/64/90/03/607649003.db2.gz	GZFQIGFMILJJMV-SECBINFHSA-N	-1	0	386.390	0.105	20	5		GCBDRM
CC[C@H](C[C@@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825089308	607657282	/nfs/dbraw/zinc/65/72/82/607657282.db2.gz	CJIQKXZIDAARPN-NXEZZACHSA-N	-1	0	384.418	0.850	20	5		GCBDRM
C[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCCC[C@H]1O	ZINC000824823722	607659959	/nfs/dbraw/zinc/65/99/59/607659959.db2.gz	OENXXYDGXZNHIS-DOMZBBRYSA-N	-1	0	396.429	0.994	20	5		GCBDRM
O=C([O-])c1c(F)ccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1F	ZINC000833293703	604364067	/nfs/dbraw/zinc/36/40/67/604364067.db2.gz	DPVJRUSTVOHRNN-UHFFFAOYSA-N	-1	0	376.297	0.746	20	5		GCBDRM
COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000831072862	604405928	/nfs/dbraw/zinc/40/59/28/604405928.db2.gz	LUJPEKFHVRWIKP-QMMMGPOBSA-N	-1	0	380.762	0.851	20	5		GCBDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000827001866	604443462	/nfs/dbraw/zinc/44/34/62/604443462.db2.gz	SFOQALHQYTUTBE-CYBMUJFWSA-N	-1	0	395.368	0.657	20	5		GCBDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000829978858	604493623	/nfs/dbraw/zinc/49/36/23/604493623.db2.gz	REODZGYCPIBOEL-SNVBAGLBSA-N	-1	0	390.370	0.476	20	5		GCBDRM
O=C([O-])C[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263002200	604593549	/nfs/dbraw/zinc/59/35/49/604593549.db2.gz	RIZUVIIRGWFFCE-LBPRGKRZSA-N	-1	0	385.398	0.729	20	5		GCBDRM
COC(=O)c1cc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)cc([N+](=O)[O-])c1	ZINC000831242850	604672419	/nfs/dbraw/zinc/67/24/19/604672419.db2.gz	SEKCNYPKIFAQHC-QMMMGPOBSA-N	-1	0	378.297	0.976	20	5		GCBDRM
CCn1cc(S(=O)(=O)NCc2ccc(OC)c(C(=O)[O-])c2)c([N+](=O)[O-])n1	ZINC000516865189	604692563	/nfs/dbraw/zinc/69/25/63/604692563.db2.gz	SMGNGRJXKGBRQU-UHFFFAOYSA-N	-1	0	384.370	0.997	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CN(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000740054555	604776831	/nfs/dbraw/zinc/77/68/31/604776831.db2.gz	AQMBVKKIAOEXGN-AWEZNQCLSA-N	-1	0	376.369	0.986	20	5		GCBDRM
CS(=O)(=O)c1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc(C(=O)[O-])c1	ZINC000832713682	604961317	/nfs/dbraw/zinc/96/13/17/604961317.db2.gz	LHETTWJYFNLJTQ-UHFFFAOYSA-N	-1	0	397.369	0.715	20	5		GCBDRM
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1	ZINC000833715197	605049620	/nfs/dbraw/zinc/04/96/20/605049620.db2.gz	QAKKAPHUXFQBGY-UHFFFAOYSA-N	-1	0	398.353	0.255	20	5		GCBDRM
CC(C)(CC(=O)[O-])CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000617697401	605105268	/nfs/dbraw/zinc/10/52/68/605105268.db2.gz	SROIYJNLAVGWAE-UHFFFAOYSA-N	-1	0	387.414	0.880	20	5		GCBDRM
C[C@@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cn(CC(=O)[O-])nn1	ZINC000833531225	605227832	/nfs/dbraw/zinc/22/78/32/605227832.db2.gz	KQSDKRBAAMNLAZ-SECBINFHSA-N	-1	0	377.313	0.305	20	5		GCBDRM
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCN1CCC(=O)[O-]	ZINC000833623353	605278765	/nfs/dbraw/zinc/27/87/65/605278765.db2.gz	PJEIXUBIYRNOLD-LLVKDONJSA-N	-1	0	399.425	0.619	20	5		GCBDRM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000833744491	605291742	/nfs/dbraw/zinc/29/17/42/605291742.db2.gz	BYBKHUCBGMZHNQ-SNVBAGLBSA-N	-1	0	375.334	0.006	20	5		GCBDRM
CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000833387971	605390886	/nfs/dbraw/zinc/39/08/86/605390886.db2.gz	FTWCJFUVYMJAMI-UHFFFAOYSA-N	-1	0	385.398	0.924	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])[C@H](C)N1CCOCC1	ZINC000833522792	605394620	/nfs/dbraw/zinc/39/46/20/605394620.db2.gz	FTKFQTLKUNNVIQ-QWRGUYRKSA-N	-1	0	387.414	0.681	20	5		GCBDRM
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833589599	605396656	/nfs/dbraw/zinc/39/66/56/605396656.db2.gz	WRCKZMOYZVCMBY-RKDXNWHRSA-N	-1	0	392.411	0.489	20	5		GCBDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000833721364	605399932	/nfs/dbraw/zinc/39/99/32/605399932.db2.gz	NYHWAPDHBSGSKH-CQSZACIVSA-N	-1	0	390.370	0.540	20	5		GCBDRM
CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@H](C)C1	ZINC000833394126	605401440	/nfs/dbraw/zinc/40/14/40/605401440.db2.gz	OICUPLZUQUHAOG-RNCFNFMXSA-N	-1	0	385.398	0.828	20	5		GCBDRM
O=C([O-])c1cn(C2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)nn1	ZINC000780314203	605540474	/nfs/dbraw/zinc/54/04/74/605540474.db2.gz	ALAATSGFCDUHPM-UHFFFAOYSA-N	-1	0	383.324	0.767	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000833708695	605651541	/nfs/dbraw/zinc/65/15/41/605651541.db2.gz	QTCNLEQHMRXEHU-MFKMUULPSA-N	-1	0	396.352	0.847	20	5		GCBDRM
COC(=O)[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C(=O)[O-])C1	ZINC000833705219	605691663	/nfs/dbraw/zinc/69/16/63/605691663.db2.gz	CJPSNWCITUZMJL-GWCFXTLKSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C(=O)[O-])C1	ZINC000833705223	605691943	/nfs/dbraw/zinc/69/19/43/605691943.db2.gz	CJPSNWCITUZMJL-ZWNOBZJWSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)c([N+](=O)[O-])c1	ZINC000821845834	606709665	/nfs/dbraw/zinc/70/96/65/606709665.db2.gz	JSWLNVMFYYUUFC-UHFFFAOYSA-N	-1	0	380.346	0.318	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1	ZINC000822623522	606709751	/nfs/dbraw/zinc/70/97/51/606709751.db2.gz	YVWWIRCPYYAXAW-UHFFFAOYSA-N	-1	0	384.765	0.963	20	5		GCBDRM
CC(=O)N1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000819797149	606730891	/nfs/dbraw/zinc/73/08/91/606730891.db2.gz	SZZLYCRMCLSHHD-UHFFFAOYSA-N	-1	0	395.401	0.018	20	5		GCBDRM
COCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000821684954	606735032	/nfs/dbraw/zinc/73/50/32/606735032.db2.gz	PIQNUUCUMTUINW-UHFFFAOYSA-N	-1	0	382.402	0.822	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@H]1C	ZINC000821657872	606736577	/nfs/dbraw/zinc/73/65/77/606736577.db2.gz	XYYVYDLATVGUFY-RKDXNWHRSA-N	-1	0	396.385	0.205	20	5		GCBDRM
COC(=O)[C@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000821654078	606736607	/nfs/dbraw/zinc/73/66/07/606736607.db2.gz	SQIZVJUYOPOUNR-CQSZACIVSA-N	-1	0	396.385	0.349	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@@H]1C	ZINC000821657871	606736697	/nfs/dbraw/zinc/73/66/97/606736697.db2.gz	XYYVYDLATVGUFY-IUCAKERBSA-N	-1	0	396.385	0.205	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)ccc1[N+](=O)[O-]	ZINC000821728426	607035064	/nfs/dbraw/zinc/03/50/64/607035064.db2.gz	WNTQHMWSYQJGHP-UHFFFAOYSA-N	-1	0	380.346	0.318	20	5		GCBDRM
Cn1c(=O)c(-c2nnn[n-]2)c(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C)c1=O	ZINC000822600601	607175929	/nfs/dbraw/zinc/17/59/29/607175929.db2.gz	ODTMFYKBJDMFOX-UHFFFAOYSA-N	-1	0	398.383	0.341	20	5		GCBDRM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1	ZINC000823493749	607193149	/nfs/dbraw/zinc/19/31/49/607193149.db2.gz	UPUVYPLLXXBEBU-UHFFFAOYSA-N	-1	0	396.367	0.838	20	5		GCBDRM
O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000823122535	607220240	/nfs/dbraw/zinc/22/02/40/607220240.db2.gz	FJWOMUNVKKOSDK-UHFFFAOYSA-N	-1	0	399.371	0.436	20	5		GCBDRM
CCC(CC)(CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825090063	607811981	/nfs/dbraw/zinc/81/19/81/607811981.db2.gz	RGWJQALIMJKKTN-UHFFFAOYSA-N	-1	0	384.418	0.852	20	5		GCBDRM
C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824677121	607970825	/nfs/dbraw/zinc/97/08/25/607970825.db2.gz	BNNINXPUCMFLSG-UWVGGRQHSA-N	-1	0	382.402	0.699	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)c1-c1nnn[n-]1	ZINC000826500026	607972369	/nfs/dbraw/zinc/97/23/69/607972369.db2.gz	IOKOGUBWXOOSGV-MGCOHNPYSA-N	-1	0	382.402	0.604	20	5		GCBDRM
CCOC(=O)C[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825498762	608026322	/nfs/dbraw/zinc/02/63/22/608026322.db2.gz	BYQZQHQEBGJDSX-SECBINFHSA-N	-1	0	398.401	0.643	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)c1-c1nnn[n-]1	ZINC000826499842	608026788	/nfs/dbraw/zinc/02/67/88/608026788.db2.gz	AEMHUZGOXDDODO-LLVKDONJSA-N	-1	0	380.386	0.574	20	5		GCBDRM
CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825486203	608127206	/nfs/dbraw/zinc/12/72/06/608127206.db2.gz	OAXNRXFDIINLDL-IUCAKERBSA-N	-1	0	398.401	0.641	20	5		GCBDRM
CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825888145	608247231	/nfs/dbraw/zinc/24/72/31/608247231.db2.gz	OHXTYMOERCMZRY-UHFFFAOYSA-N	-1	0	395.401	0.194	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3COCC[C@@H]32)c1-c1nnn[n-]1	ZINC000826500087	608303732	/nfs/dbraw/zinc/30/37/32/608303732.db2.gz	KPTGOTUMXZMBBG-QWRGUYRKSA-N	-1	0	394.413	0.965	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccsc2)c1-c1nnn[n-]1	ZINC000826500439	608568123	/nfs/dbraw/zinc/56/81/23/608568123.db2.gz	YJVQFKCSYDISHK-SNVBAGLBSA-N	-1	0	396.410	0.848	20	5		GCBDRM
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1	ZINC000826470386	609143737	/nfs/dbraw/zinc/14/37/37/609143737.db2.gz	OEOZMTFVXVQWAL-UHFFFAOYSA-N	-1	0	396.367	0.838	20	5		GCBDRM
CCN(Cc1cn(C)nn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825439738	609399793	/nfs/dbraw/zinc/39/97/93/609399793.db2.gz	MEPCBTNFLNVLPE-UHFFFAOYSA-N	-1	0	393.389	0.114	20	5		GCBDRM
Cc1nn(CCC(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)c(C)c1[N+](=O)[O-]	ZINC000726733677	638679672	/nfs/dbraw/zinc/67/96/72/638679672.db2.gz	CZIWHEBRAQPPNI-UHFFFAOYSA-N	-1	0	390.809	0.690	20	5		GCBDRM
CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	ZINC000741200918	639732745	/nfs/dbraw/zinc/73/27/45/639732745.db2.gz	KKGSYGZWOAETID-UHFFFAOYSA-N	-1	0	392.390	0.776	20	5		GCBDRM
COCCS(=O)(=O)[N-]C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1	ZINC000732522808	639810794	/nfs/dbraw/zinc/81/07/94/639810794.db2.gz	DCAWPKMOYBBEAX-UHFFFAOYSA-N	-1	0	378.428	0.929	20	5		GCBDRM
COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)cc1[N+](=O)[O-]	ZINC000732616222	639812534	/nfs/dbraw/zinc/81/25/34/639812534.db2.gz	JPRPWLBFKMQYSZ-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732621570	639812732	/nfs/dbraw/zinc/81/27/32/639812732.db2.gz	NLXIWXVZVXHBFT-ZCFIWIBFSA-N	-1	0	377.429	0.771	20	5		GCBDRM
NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1	ZINC000732621513	639812758	/nfs/dbraw/zinc/81/27/58/639812758.db2.gz	MTBGMBXYMAAZHE-UHFFFAOYSA-N	-1	0	385.379	0.639	20	5		GCBDRM
COCCn1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)ccc1=O	ZINC000732622284	639812819	/nfs/dbraw/zinc/81/28/19/639812819.db2.gz	UVEBPVKQRQPNJY-UHFFFAOYSA-N	-1	0	387.395	0.583	20	5		GCBDRM
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COc2cccc([N+](=O)[O-])c2)s1	ZINC000732617980	639812849	/nfs/dbraw/zinc/81/28/49/639812849.db2.gz	WFNQJEPBYDRQHD-UHFFFAOYSA-N	-1	0	385.379	0.639	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@]12CCC(=O)N1CCS2	ZINC000916786156	639835146	/nfs/dbraw/zinc/83/51/46/639835146.db2.gz	NCMYQQQLFXJTKM-AWEZNQCLSA-N	-1	0	385.423	0.606	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000920333473	639920673	/nfs/dbraw/zinc/92/06/73/639920673.db2.gz	DSENKTJOVKLZGH-UHFFFAOYSA-N	-1	0	389.733	0.858	20	5		GCBDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000733716420	639981746	/nfs/dbraw/zinc/98/17/46/639981746.db2.gz	ILDCJHYHNSPHKD-QMMMGPOBSA-N	-1	0	391.427	0.267	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@]23CCC(=O)N2CCS3)ccc1[N+](=O)[O-]	ZINC000734737368	640000992	/nfs/dbraw/zinc/00/09/92/640000992.db2.gz	QAXYKVPXIOXKLI-CQSZACIVSA-N	-1	0	385.423	0.774	20	5		GCBDRM
Cn1c(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-]	ZINC000734971249	640006225	/nfs/dbraw/zinc/00/62/25/640006225.db2.gz	CVPMFBMPDUFEAS-UHFFFAOYSA-N	-1	0	387.395	0.456	20	5		GCBDRM
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000761431605	640593724	/nfs/dbraw/zinc/59/37/24/640593724.db2.gz	KAORALNACYLYIP-SNVBAGLBSA-N	-1	0	376.387	0.850	20	5		GCBDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000764186740	640641065	/nfs/dbraw/zinc/64/10/65/640641065.db2.gz	OXNQZMGMQAFKJN-QMMMGPOBSA-N	-1	0	391.427	0.267	20	5		GCBDRM
CC(=O)NCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000764780404	640654871	/nfs/dbraw/zinc/65/48/71/640654871.db2.gz	UFEPSLBHBRLPTP-UHFFFAOYSA-N	-1	0	380.176	0.298	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cs1	ZINC000766658113	640701421	/nfs/dbraw/zinc/70/14/21/640701421.db2.gz	DOOOYMARKXRZAX-UHFFFAOYSA-N	-1	0	391.408	0.574	20	5		GCBDRM
COC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CC1	ZINC000766865497	640707434	/nfs/dbraw/zinc/70/74/34/640707434.db2.gz	LXPQLHMZCLFTRH-UHFFFAOYSA-N	-1	0	377.762	0.589	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1=O	ZINC000767843444	640736797	/nfs/dbraw/zinc/73/67/97/640736797.db2.gz	LIXQSXYBLCGLBX-UHFFFAOYSA-N	-1	0	383.169	0.989	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N=c1nc(C(F)(F)F)[n-]n1C	ZINC000768562791	640755152	/nfs/dbraw/zinc/75/51/52/640755152.db2.gz	CAKKTBJCJLCPSB-UHFFFAOYSA-N	-1	0	381.292	0.973	20	5		GCBDRM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc1	ZINC000768865449	640763496	/nfs/dbraw/zinc/76/34/96/640763496.db2.gz	JQTGCROVTBSDGQ-UHFFFAOYSA-N	-1	0	378.413	0.760	20	5		GCBDRM
COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1	ZINC000768889860	640764493	/nfs/dbraw/zinc/76/44/93/640764493.db2.gz	SVTYRLFRZSDXTD-UHFFFAOYSA-N	-1	0	389.415	0.416	20	5		GCBDRM
CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1	ZINC000768888226	640764605	/nfs/dbraw/zinc/76/46/05/640764605.db2.gz	LEAZWVJNMGMGDY-UHFFFAOYSA-N	-1	0	380.429	0.698	20	5		GCBDRM
COc1ccc(S(=O)(=O)N=c2nc(C(F)(F)F)[n-]n2C)cc1[N+](=O)[O-]	ZINC000769654277	640780154	/nfs/dbraw/zinc/78/01/54/640780154.db2.gz	OXZWJRLPRNILBI-UHFFFAOYSA-N	-1	0	381.292	0.973	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCSC1	ZINC000774288791	640884944	/nfs/dbraw/zinc/88/49/44/640884944.db2.gz	PTTIDXYRIHESBL-VIFPVBQESA-N	-1	0	377.419	0.976	20	5		GCBDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Br	ZINC000776525826	641099638	/nfs/dbraw/zinc/09/96/38/641099638.db2.gz	KOAJFXAKRPVUNW-RXMQYKEDSA-N	-1	0	382.192	0.779	20	5		GCBDRM
Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])nc1Cl	ZINC000776535386	641099733	/nfs/dbraw/zinc/09/97/33/641099733.db2.gz	CTZGFXNSEXNVNY-VIFPVBQESA-N	-1	0	388.789	0.956	20	5		GCBDRM
O=C([O-])CC[C@@H](CN1CCOCC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776631689	641108194	/nfs/dbraw/zinc/10/81/94/641108194.db2.gz	AXAVWZYHBZEGGH-JTQLQIEISA-N	-1	0	393.443	0.500	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776684581	641110964	/nfs/dbraw/zinc/11/09/64/641110964.db2.gz	AGUCOEOVXVZUHH-VXNVDRBHSA-N	-1	0	395.187	0.566	20	5		GCBDRM
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C	ZINC000781839257	641238112	/nfs/dbraw/zinc/23/81/12/641238112.db2.gz	GBZZJSMCHCBGNC-JTQLQIEISA-N	-1	0	377.350	0.919	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1=O	ZINC000782130581	641243894	/nfs/dbraw/zinc/24/38/94/641243894.db2.gz	JUVKPOJMAZSXGK-UHFFFAOYSA-N	-1	0	393.175	0.445	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCS1(=O)=O	ZINC000791761635	641436229	/nfs/dbraw/zinc/43/62/29/641436229.db2.gz	DQEAXQXSAMQXBQ-LBPRGKRZSA-N	-1	0	376.412	0.508	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)c([N+](=O)[O-])c1	ZINC000791762312	641436868	/nfs/dbraw/zinc/43/68/68/641436868.db2.gz	JEIDGROITALSTR-LBPRGKRZSA-N	-1	0	392.411	0.376	20	5		GCBDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1	ZINC000793159846	641465189	/nfs/dbraw/zinc/46/51/89/641465189.db2.gz	PYVRIKHZVOYGLE-UHFFFAOYSA-N	-1	0	390.175	0.605	20	5		GCBDRM
CCNS(=O)(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795828218	641526107	/nfs/dbraw/zinc/52/61/07/641526107.db2.gz	HERXTYFJAFSIDQ-UHFFFAOYSA-N	-1	0	389.814	0.605	20	5		GCBDRM
COc1c(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)cccc1[N+](=O)[O-]	ZINC000796708466	641546476	/nfs/dbraw/zinc/54/64/76/641546476.db2.gz	XAVWIVNDOCEGJM-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
O=C(CCn1cnccc1=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000796803629	641548996	/nfs/dbraw/zinc/54/89/96/641548996.db2.gz	TXAKGWYLBMRLFY-UHFFFAOYSA-N	-1	0	386.773	0.700	20	5		GCBDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCOCC1	ZINC000797014656	641554662	/nfs/dbraw/zinc/55/46/62/641554662.db2.gz	CKMSKQRTOFJKFR-UHFFFAOYSA-N	-1	0	392.411	0.821	20	5		GCBDRM
Cc1nnc(COCC(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1	ZINC000797230107	641559073	/nfs/dbraw/zinc/55/90/73/641559073.db2.gz	CZBWPPRUURBYSI-UHFFFAOYSA-N	-1	0	390.374	0.916	20	5		GCBDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-]	ZINC000797292632	641563806	/nfs/dbraw/zinc/56/38/06/641563806.db2.gz	SGTNKEJACNFCTP-SSDOTTSWSA-N	-1	0	392.411	0.946	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cn(C2CCOCC2)nn1	ZINC000810581144	641733676	/nfs/dbraw/zinc/73/36/76/641733676.db2.gz	LOYXPUZTWLAXOB-UHFFFAOYSA-N	-1	0	387.399	0.718	20	5		GCBDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1	ZINC000811157209	641751875	/nfs/dbraw/zinc/75/18/75/641751875.db2.gz	NULSEWAXECDVTP-UHFFFAOYSA-N	-1	0	392.411	0.237	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000813949789	641798733	/nfs/dbraw/zinc/79/87/33/641798733.db2.gz	DBKHXJVXKDYQTM-UHFFFAOYSA-N	-1	0	390.805	0.387	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCS(=O)(=O)C1	ZINC000816041022	641841585	/nfs/dbraw/zinc/84/15/85/641841585.db2.gz	BQYOEYATWPXASV-NSHDSACASA-N	-1	0	390.439	0.923	20	5		GCBDRM
CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000816713171	641858509	/nfs/dbraw/zinc/85/85/09/641858509.db2.gz	DUPSTJBGPBMBAU-UHFFFAOYSA-N	-1	0	377.400	0.184	20	5		GCBDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000802084205	642143298	/nfs/dbraw/zinc/14/32/98/642143298.db2.gz	QPKGYHHIVINSQA-MRVPVSSYSA-N	-1	0	380.400	0.093	20	5		GCBDRM
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000802163782	642148291	/nfs/dbraw/zinc/14/82/91/642148291.db2.gz	KJWPVABMRUSTHG-DTWKUNHWSA-N	-1	0	376.391	0.170	20	5		GCBDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000802163781	642148354	/nfs/dbraw/zinc/14/83/54/642148354.db2.gz	KJWPVABMRUSTHG-BDAKNGLRSA-N	-1	0	376.391	0.170	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000842322128	642330812	/nfs/dbraw/zinc/33/08/12/642330812.db2.gz	SAHOPDRHUDGOTK-HTRCEHHLSA-N	-1	0	394.159	0.827	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000842335018	642331312	/nfs/dbraw/zinc/33/13/12/642331312.db2.gz	HUFVCAYHVPZSNZ-RKDXNWHRSA-N	-1	0	391.199	0.854	20	5		GCBDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-]	ZINC000842356220	642332606	/nfs/dbraw/zinc/33/26/06/642332606.db2.gz	GMCIVBJRHPHAKO-UHFFFAOYSA-N	-1	0	392.411	0.948	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)cc([N+](=O)[O-])c1C	ZINC000842676208	642342411	/nfs/dbraw/zinc/34/24/11/642342411.db2.gz	VNVVDIJPPCKACT-LBPRGKRZSA-N	-1	0	391.427	0.050	20	5		GCBDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000846003731	642466902	/nfs/dbraw/zinc/46/69/02/642466902.db2.gz	LZSMEYIZNPAZFQ-UHFFFAOYSA-N	-1	0	382.192	0.703	20	5		GCBDRM
C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CS2	ZINC000847892870	642524505	/nfs/dbraw/zinc/52/45/05/642524505.db2.gz	IUHZDEFNLUZNIP-RNCFNFMXSA-N	-1	0	386.411	0.249	20	5		GCBDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000850861512	642699994	/nfs/dbraw/zinc/69/99/94/642699994.db2.gz	JAUGIVGJLHAIRH-SECBINFHSA-N	-1	0	397.203	0.824	20	5		GCBDRM
CCC(=O)N[C@@H](CCSC)C(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851328026	642716872	/nfs/dbraw/zinc/71/68/72/642716872.db2.gz	TYFQGMLPJIJIOF-VIFPVBQESA-N	-1	0	390.443	0.443	20	5		GCBDRM
CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851329401	642716914	/nfs/dbraw/zinc/71/69/14/642716914.db2.gz	KMOGGWJOJPPYER-UHFFFAOYSA-N	-1	0	375.359	0.153	20	5		GCBDRM
O=C([N-]S(=O)(=O)CC(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000851360417	642717957	/nfs/dbraw/zinc/71/79/57/642717957.db2.gz	DZGYFKBPDMTETL-SSDOTTSWSA-N	-1	0	397.381	0.972	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)Cc2cc(OC)ns2)n1	ZINC000851437135	642722202	/nfs/dbraw/zinc/72/22/02/642722202.db2.gz	XRMNJCAFVMPISC-UHFFFAOYSA-N	-1	0	375.388	0.536	20	5		GCBDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)CCNc1ccccc1[N+](=O)[O-])OC	ZINC000853201680	642787900	/nfs/dbraw/zinc/78/79/00/642787900.db2.gz	FYCJJAFCDUBRTH-NSHDSACASA-N	-1	0	375.403	0.504	20	5		GCBDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)OC	ZINC000853202028	642788140	/nfs/dbraw/zinc/78/81/40/642788140.db2.gz	KQWJYUWFRKUYDR-QMMMGPOBSA-N	-1	0	376.343	0.045	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[N-]OC(C)(C)CO	ZINC000857285338	642937793	/nfs/dbraw/zinc/93/77/93/642937793.db2.gz	ZWHWUAAVZWFQIJ-SECBINFHSA-N	-1	0	375.403	0.858	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)cc1[N+](=O)[O-]	ZINC000860565625	643037819	/nfs/dbraw/zinc/03/78/19/643037819.db2.gz	AYTUIDMDZSWCPP-UHFFFAOYSA-N	-1	0	386.777	0.876	20	5		GCBDRM
CC(=O)N1CCc2cc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cc([N+](=O)[O-])c21	ZINC001167862245	1192514032	/nfs/dbraw/zinc/51/40/32/1192514032.db2.gz	TVMIDESFTRRCIM-MADCSZMMSA-N	-1	0	384.370	0.318	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@]12CCOC2	ZINC000572680180	1192754734	/nfs/dbraw/zinc/75/47/34/1192754734.db2.gz	RJCGWIAFICFIDP-CJNGLKHVSA-N	-1	0	384.410	0.890	20	5		GCBDRM
CNS(=O)(=O)c1ccc(N2CCC[C@@](COC)(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000573566858	1192905896	/nfs/dbraw/zinc/90/58/96/1192905896.db2.gz	GECBVQUIDIYVAT-OAHLLOKOSA-N	-1	0	387.414	0.821	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cc1[N+](=O)[O-]	ZINC000274956832	1184438549	/nfs/dbraw/zinc/43/85/49/1184438549.db2.gz	AXGXXYDWCXGQGA-VXGBXAGGSA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000275030324	1184468213	/nfs/dbraw/zinc/46/82/13/1184468213.db2.gz	UAYZBGCJQVXPQT-LLVKDONJSA-N	-1	0	391.377	0.106	20	5		GCBDRM
NC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000275050613	1184476178	/nfs/dbraw/zinc/47/61/78/1184476178.db2.gz	IDLDPLICPCMRCQ-QMMMGPOBSA-N	-1	0	399.303	0.611	20	5		GCBDRM
NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000275102626	1184508748	/nfs/dbraw/zinc/50/87/48/1184508748.db2.gz	LVDPSSMKQRQCSV-YPMHNXCESA-N	-1	0	385.398	0.118	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1	ZINC000275166507	1184538960	/nfs/dbraw/zinc/53/89/60/1184538960.db2.gz	USKARYWPMPGZQF-QWHCGFSZSA-N	-1	0	397.409	0.432	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1	ZINC000275166504	1184539122	/nfs/dbraw/zinc/53/91/22/1184539122.db2.gz	USKARYWPMPGZQF-OLZOCXBDSA-N	-1	0	397.409	0.432	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275278497	1184580231	/nfs/dbraw/zinc/58/02/31/1184580231.db2.gz	NZJUJNKRCMXOHC-NSHDSACASA-N	-1	0	384.370	0.311	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000275372287	1184638404	/nfs/dbraw/zinc/63/84/04/1184638404.db2.gz	YUXBAHAAFGBVEH-CYBMUJFWSA-N	-1	0	382.398	0.919	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2c(C)nn(C)c2C)c([N+](=O)[O-])n1	ZINC000547874132	1184729825	/nfs/dbraw/zinc/72/98/25/1184729825.db2.gz	PCLDIJRNKDNMAX-NSHDSACASA-N	-1	0	386.390	0.266	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000547891418	1184736044	/nfs/dbraw/zinc/73/60/44/1184736044.db2.gz	LTDSOAOIGMMXBQ-LLVKDONJSA-N	-1	0	398.397	0.559	20	5		GCBDRM
CCn1cc(S(=O)(=O)NCCc2ccc(OCC(=O)[O-])cc2)c([N+](=O)[O-])n1	ZINC000547908447	1184748818	/nfs/dbraw/zinc/74/88/18/1184748818.db2.gz	NGVXLFIKWRVEHQ-UHFFFAOYSA-N	-1	0	398.397	0.796	20	5		GCBDRM
CC(=O)NCCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)C(=O)[O-]	ZINC000510281713	1184766490	/nfs/dbraw/zinc/76/64/90/1184766490.db2.gz	YEEGHFTZHKUHJG-SNVBAGLBSA-N	-1	0	395.368	0.346	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000262028189	1185307578	/nfs/dbraw/zinc/30/75/78/1185307578.db2.gz	GQEXSBOTAVLKGG-NEPJUHHUSA-N	-1	0	397.409	0.539	20	5		GCBDRM
COc1cc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000262259906	1185722955	/nfs/dbraw/zinc/72/29/55/1185722955.db2.gz	WPHLACNDSPQNFQ-GFCCVEGCSA-N	-1	0	379.369	0.999	20	5		GCBDRM
O=C([N-]OC[C@H]1CCOC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000276310496	1185729071	/nfs/dbraw/zinc/72/90/71/1185729071.db2.gz	LTKZCMSRJKCXHV-JTQLQIEISA-N	-1	0	381.341	0.779	20	5		GCBDRM
O=C([N-]OC[C@H]1CCOC1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000276331439	1185740544	/nfs/dbraw/zinc/74/05/44/1185740544.db2.gz	FSGAKMVAFCTKDH-WFASDCNBSA-N	-1	0	399.425	0.832	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276888677	1186137216	/nfs/dbraw/zinc/13/72/16/1186137216.db2.gz	JTDUBKRBXAXYJI-LBPRGKRZSA-N	-1	0	382.398	0.919	20	5		GCBDRM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000610846341	1186245259	/nfs/dbraw/zinc/24/52/59/1186245259.db2.gz	GNDNTTWQRVFECU-LLVKDONJSA-N	-1	0	379.369	0.805	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC	ZINC000277145763	1186250084	/nfs/dbraw/zinc/25/00/84/1186250084.db2.gz	XXZMZXRWYORMBB-CYBMUJFWSA-N	-1	0	388.398	0.552	20	5		GCBDRM
COCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(=O)[O-]	ZINC000277196303	1186292141	/nfs/dbraw/zinc/29/21/41/1186292141.db2.gz	DUAHOCBERCZCSA-VIFPVBQESA-N	-1	0	391.358	0.888	20	5		GCBDRM
Cc1cc(C)n(C[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n1	ZINC000548528520	1186301160	/nfs/dbraw/zinc/30/11/60/1186301160.db2.gz	GBVPGLWRWWMUBQ-CQSZACIVSA-N	-1	0	382.398	0.981	20	5		GCBDRM
CCn1cc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548538253	1186307492	/nfs/dbraw/zinc/30/74/92/1186307492.db2.gz	GIWYVIQZZYCOMD-JTQLQIEISA-N	-1	0	383.386	0.428	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277280464	1186314994	/nfs/dbraw/zinc/31/49/94/1186314994.db2.gz	PSLGZVWRIGKPTG-GFCCVEGCSA-N	-1	0	382.398	0.919	20	5		GCBDRM
CCS(=O)(=O)N1CCC(N(CC(=O)[O-])C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000262941641	1186331562	/nfs/dbraw/zinc/33/15/62/1186331562.db2.gz	NMBXHASRARLOQC-UHFFFAOYSA-N	-1	0	399.425	0.936	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000263038166	1186339499	/nfs/dbraw/zinc/33/94/99/1186339499.db2.gz	VKWDXJBHRYTNIW-GTNSWQLSSA-N	-1	0	379.369	0.663	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263360633	1186389366	/nfs/dbraw/zinc/38/93/66/1186389366.db2.gz	YHUKRHQFPSDWSN-INIZCTEOSA-N	-1	0	399.425	0.977	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1=O	ZINC000479009144	1186548329	/nfs/dbraw/zinc/54/83/29/1186548329.db2.gz	YPCYJNXOFXMJBI-NWDGAFQWSA-N	-1	0	381.389	0.353	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCOCC1	ZINC000582850188	1186711514	/nfs/dbraw/zinc/71/15/14/1186711514.db2.gz	RGYMRQOPSOLVQA-UHFFFAOYSA-N	-1	0	387.414	0.682	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](n3ccnn3)C2)ccc1[N+](=O)[O-]	ZINC000514793164	1186761056	/nfs/dbraw/zinc/76/10/56/1186761056.db2.gz	QNRRAENZBQJFOU-JTQLQIEISA-N	-1	0	381.370	0.910	20	5		GCBDRM
COc1ccc(CC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1[N+](=O)[O-]	ZINC000514822634	1186762814	/nfs/dbraw/zinc/76/28/14/1186762814.db2.gz	ZCJDIHYGKFCHHX-LRDDRELGSA-N	-1	0	393.396	0.972	20	5		GCBDRM
C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1c1nccn2cnnc12	ZINC000583087394	1186767261	/nfs/dbraw/zinc/76/72/61/1186767261.db2.gz	TZDCVSFFOXCSNM-JTQLQIEISA-N	-1	0	384.356	0.841	20	5		GCBDRM
COC(=O)c1cnc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1	ZINC000780378885	1186810174	/nfs/dbraw/zinc/81/01/74/1186810174.db2.gz	SCEUNKVJGNZCKN-UHFFFAOYSA-N	-1	0	380.338	0.599	20	5		GCBDRM
CC(=O)N1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)CC1	ZINC000572957662	1186834367	/nfs/dbraw/zinc/83/43/67/1186834367.db2.gz	PQQUTYBZCLZRQL-UHFFFAOYSA-N	-1	0	385.398	0.844	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000584329034	1187032119	/nfs/dbraw/zinc/03/21/19/1187032119.db2.gz	YOYGPIWEPNCPAE-ABAIWWIYSA-N	-1	0	386.382	0.715	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)c(=O)n(C)c1=O	ZINC000580342912	1187681200	/nfs/dbraw/zinc/68/12/00/1187681200.db2.gz	OKIYJGAMZOONLS-UHFFFAOYSA-N	-1	0	397.394	0.403	20	5		GCBDRM
O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000581245728	1187710761	/nfs/dbraw/zinc/71/07/61/1187710761.db2.gz	UGLSESCFLYGKAI-GFCCVEGCSA-N	-1	0	391.380	0.898	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)c1	ZINC000414341851	1187841709	/nfs/dbraw/zinc/84/17/09/1187841709.db2.gz	LXPTXKSPWYKHEU-QWRGUYRKSA-N	-1	0	383.382	0.725	20	5		GCBDRM
CCC[C@@]1(C)C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414341812	1187842135	/nfs/dbraw/zinc/84/21/35/1187842135.db2.gz	LUMDXLMLXAZPDJ-HNNXBMFYSA-N	-1	0	385.398	0.972	20	5		GCBDRM
COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1	ZINC000416449417	1189521275	/nfs/dbraw/zinc/52/12/75/1189521275.db2.gz	VPHCNDJXCBZFGX-CABZTGNLSA-N	-1	0	380.357	0.898	20	5		GCBDRM
C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000549445875	1189543035	/nfs/dbraw/zinc/54/30/35/1189543035.db2.gz	FYAXCPPYLWEPOD-CQSZACIVSA-N	-1	0	378.429	0.665	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448510	1189666892	/nfs/dbraw/zinc/66/68/92/1189666892.db2.gz	VATDCSODPZEUPH-BXUZGUMPSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448512	1189667164	/nfs/dbraw/zinc/66/71/64/1189667164.db2.gz	VATDCSODPZEUPH-RISCZKNCSA-N	-1	0	399.425	0.892	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cn1	ZINC000759830684	1189769356	/nfs/dbraw/zinc/76/93/56/1189769356.db2.gz	RZUNCWHTHCYOOP-UHFFFAOYSA-N	-1	0	383.386	0.707	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000576208623	1193812639	/nfs/dbraw/zinc/81/26/39/1193812639.db2.gz	OVTZOZCLPFEPLD-GFCCVEGCSA-N	-1	0	382.398	0.919	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])c1	ZINC000729184523	1193907535	/nfs/dbraw/zinc/90/75/35/1193907535.db2.gz	UQVYTEPYXZFGQE-LLVKDONJSA-N	-1	0	385.398	0.667	20	5		GCBDRM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000262444181	1193948223	/nfs/dbraw/zinc/94/82/23/1193948223.db2.gz	GMEZFKJMSDSFOF-LLVKDONJSA-N	-1	0	379.369	0.853	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCc2nc(=O)o[n-]2)ccc1[N+](=O)[O-]	ZINC000280058001	1193974173	/nfs/dbraw/zinc/97/41/73/1193974173.db2.gz	IEUZEGKAFFKJGL-CYBMUJFWSA-N	-1	0	389.368	0.543	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000420542778	1194234527	/nfs/dbraw/zinc/23/45/27/1194234527.db2.gz	LJJFAOGGOJKTDP-KPZWWZAWSA-N	-1	0	391.380	0.933	20	5		GCBDRM
O=C([N-]OCC1CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000293748973	1194398197	/nfs/dbraw/zinc/39/81/97/1194398197.db2.gz	KCPONRJJCJIYDF-AAEUAGOBSA-N	-1	0	385.398	0.177	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(C)c([N+](=O)[O-])c1	ZINC000422684554	1194684281	/nfs/dbraw/zinc/68/42/81/1194684281.db2.gz	PCPSODMOSFSXHJ-QGZVFWFLSA-N	-1	0	393.352	0.952	20	5		GCBDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000422719644	1194694197	/nfs/dbraw/zinc/69/41/97/1194694197.db2.gz	MATOUHWQXNGTJM-VHSXEESVSA-N	-1	0	389.368	0.657	20	5		GCBDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000422719643	1194694234	/nfs/dbraw/zinc/69/42/34/1194694234.db2.gz	MATOUHWQXNGTJM-UWVGGRQHSA-N	-1	0	389.368	0.657	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O	ZINC000424243547	1194807468	/nfs/dbraw/zinc/80/74/68/1194807468.db2.gz	NGADIGQDTNTGFD-ZDUSSCGKSA-N	-1	0	385.398	0.497	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O	ZINC000424419185	1194810695	/nfs/dbraw/zinc/81/06/95/1194810695.db2.gz	XICCKRYNOQSSEX-AWEZNQCLSA-N	-1	0	399.425	0.811	20	5		GCBDRM
Cc1ccc([C@@H](C)NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000424416476	1194811432	/nfs/dbraw/zinc/81/14/32/1194811432.db2.gz	UXFQLXMNGBKJER-MFKMUULPSA-N	-1	0	385.398	0.857	20	5		GCBDRM
O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCS1(=O)=O	ZINC000424471634	1194813954	/nfs/dbraw/zinc/81/39/54/1194813954.db2.gz	NVKXLKAPMRYYFH-AWEZNQCLSA-N	-1	0	397.409	0.519	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)c1	ZINC000424604689	1194825637	/nfs/dbraw/zinc/82/56/37/1194825637.db2.gz	VLYGZNIJUPWLKY-LLVKDONJSA-N	-1	0	381.370	0.910	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCC1(N2CCOCC2)CC1	ZINC000434640626	1194857565	/nfs/dbraw/zinc/85/75/65/1194857565.db2.gz	NFBLHGLKIOVIDY-UHFFFAOYSA-N	-1	0	399.425	0.745	20	5		GCBDRM
CNC(=O)COc1cccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1	ZINC000514828079	1194916188	/nfs/dbraw/zinc/91/61/88/1194916188.db2.gz	JFJUNVJQOLNMBT-UHFFFAOYSA-N	-1	0	380.382	0.593	20	5		GCBDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000514938837	1194931107	/nfs/dbraw/zinc/93/11/07/1194931107.db2.gz	HPLMHPZRSDNQHW-YPMHNXCESA-N	-1	0	399.425	0.915	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1	ZINC000515203261	1194957094	/nfs/dbraw/zinc/95/70/94/1194957094.db2.gz	IMCGGEFECHYRDP-DZGCQCFKSA-N	-1	0	380.378	0.930	20	5		GCBDRM
CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1O	ZINC000436766410	1195036067	/nfs/dbraw/zinc/03/60/67/1195036067.db2.gz	CRRZXMWERZRVBV-DZGCQCFKSA-N	-1	0	395.412	0.759	20	5		GCBDRM
COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS(=O)(=O)CC1	ZINC000440135933	1195387497	/nfs/dbraw/zinc/38/74/97/1195387497.db2.gz	OVMQVEGVQAEMEI-UHFFFAOYSA-N	-1	0	386.382	0.541	20	5		GCBDRM
Cc1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c(C)cc1[N+](=O)[O-]	ZINC000574738856	1195803181	/nfs/dbraw/zinc/80/31/81/1195803181.db2.gz	STBIGYHFKMOBBB-NSHDSACASA-N	-1	0	385.398	0.423	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c([N+](=O)[O-])c1	ZINC000521254474	1195982299	/nfs/dbraw/zinc/98/22/99/1195982299.db2.gz	MYXUYBVWCADGJT-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000262226701	1196089467	/nfs/dbraw/zinc/08/94/67/1196089467.db2.gz	RVDSQSHKYYKBQX-LLVKDONJSA-N	-1	0	381.389	0.308	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(OC)c(C(N)=O)c1	ZINC000474408485	1196114940	/nfs/dbraw/zinc/11/49/40/1196114940.db2.gz	GJLZDZBMLZSXLL-UHFFFAOYSA-N	-1	0	382.354	0.907	20	5		GCBDRM
Cc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(=O)n1C	ZINC000447156699	1196696693	/nfs/dbraw/zinc/69/66/93/1196696693.db2.gz	ANVWLKXRBBLDPF-UHFFFAOYSA-N	-1	0	381.366	0.779	20	5		GCBDRM
COc1cccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000450513933	1196930787	/nfs/dbraw/zinc/93/07/87/1196930787.db2.gz	BMZHPXHDHADHFG-LLVKDONJSA-N	-1	0	379.369	0.999	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nnc2n1CCC2	ZINC000273696082	1199061764	/nfs/dbraw/zinc/06/17/64/1199061764.db2.gz	CEYDKTUZFZKJGX-QMMMGPOBSA-N	-1	0	381.370	0.870	20	5		GCBDRM
CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1=O	ZINC000273696056	1199061982	/nfs/dbraw/zinc/06/19/82/1199061982.db2.gz	JAXQCTSFKSUOIB-LLVKDONJSA-N	-1	0	385.354	0.107	20	5		GCBDRM
CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000273777816	1199067611	/nfs/dbraw/zinc/06/76/11/1199067611.db2.gz	SDNSEZWTBCXTIT-UHFFFAOYSA-N	-1	0	387.370	0.756	20	5		GCBDRM
CNS(=O)(=O)c1cc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)ccc1[O-]	ZINC000509072045	1199897540	/nfs/dbraw/zinc/89/75/40/1199897540.db2.gz	YXODNXDKYLFFMD-UHFFFAOYSA-N	-1	0	383.386	0.742	20	5		GCBDRM
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000506805009	1200591191	/nfs/dbraw/zinc/59/11/91/1200591191.db2.gz	IYBMOIYOZUBSEN-UHFFFAOYSA-N	-1	0	393.377	0.913	20	5		GCBDRM
Cc1[nH]nc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)c1[N+](=O)[O-]	ZINC000609168632	1200716440	/nfs/dbraw/zinc/71/64/40/1200716440.db2.gz	AHPLMJRUXAZSSM-UHFFFAOYSA-N	-1	0	384.356	0.787	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1	ZINC000567113761	1200749570	/nfs/dbraw/zinc/74/95/70/1200749570.db2.gz	PPIVINPZNWIHFQ-PWSUYJOCSA-N	-1	0	386.430	1.516	20	5		GCBDRM
COC(=O)c1cnc([N-]c2ccn(CC(=O)N3CCOCC3)n2)c([N+](=O)[O-])c1	ZINC000477752177	1200842059	/nfs/dbraw/zinc/84/20/59/1200842059.db2.gz	SLAFBRUNOSPZFS-UHFFFAOYSA-N	-1	0	390.356	0.575	20	5		GCBDRM
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1nc3ncccn3n1)OCCO2	ZINC000609227572	1200932724	/nfs/dbraw/zinc/93/27/24/1200932724.db2.gz	CHOCHOYQWQODHD-UHFFFAOYSA-N	-1	0	378.326	0.605	20	5		GCBDRM
NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1	ZINC000509392757	1200996021	/nfs/dbraw/zinc/99/60/21/1200996021.db2.gz	SGPMQIKIEOBZRG-UHFFFAOYSA-N	-1	0	382.329	0.959	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1[N+](=O)[O-]	ZINC000611215168	1201223859	/nfs/dbraw/zinc/22/38/59/1201223859.db2.gz	RQIIBZGIESYIKV-LLVKDONJSA-N	-1	0	389.372	0.253	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000727188851	1201351479	/nfs/dbraw/zinc/35/14/79/1201351479.db2.gz	YEADTRJOBOSFCN-UHFFFAOYSA-N	-1	0	379.354	0.665	20	5		GCBDRM
Cc1nn2c([n-]nc2SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc1=O	ZINC000730085293	1201433354	/nfs/dbraw/zinc/43/33/54/1201433354.db2.gz	LSLIRIHOFUYSGJ-UHFFFAOYSA-N	-1	0	379.333	0.899	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730657940	1201459029	/nfs/dbraw/zinc/45/90/29/1201459029.db2.gz	ITNMSBJHVHLCRU-UHFFFAOYSA-N	-1	0	386.324	0.470	20	5		GCBDRM
C[C@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000730656652	1201459128	/nfs/dbraw/zinc/45/91/28/1201459128.db2.gz	ITJLRSBJMPKDOE-VIFPVBQESA-N	-1	0	386.324	0.550	20	5		GCBDRM
CCOc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c([N+](=O)[O-])cc1OC	ZINC000731854963	1201505259	/nfs/dbraw/zinc/50/52/59/1201505259.db2.gz	NFPHVEHIJACVLW-CYBMUJFWSA-N	-1	0	378.345	0.729	20	5		GCBDRM
Cn1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000732089100	1201520019	/nfs/dbraw/zinc/52/00/19/1201520019.db2.gz	BIEGUEZQHJBESK-ZDUSSCGKSA-N	-1	0	384.356	0.722	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1	ZINC000732495180	1201546167	/nfs/dbraw/zinc/54/61/67/1201546167.db2.gz	WJEDJQAKFLWDSM-JTQLQIEISA-N	-1	0	397.369	0.031	20	5		GCBDRM
CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732507006	1201546617	/nfs/dbraw/zinc/54/66/17/1201546617.db2.gz	YYYFINPJHKGMRB-SNVBAGLBSA-N	-1	0	389.386	0.275	20	5		GCBDRM
O=C(Cn1ncc2ccccc2c1=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732620612	1201551379	/nfs/dbraw/zinc/55/13/79/1201551379.db2.gz	SWVWMXYGZIQMSM-UHFFFAOYSA-N	-1	0	394.390	0.871	20	5		GCBDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)COc2cccc([N+](=O)[O-])c2)cc1C(N)=O	ZINC000732620540	1201551523	/nfs/dbraw/zinc/55/15/23/1201551523.db2.gz	RELBGHZXUCWRBB-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
O=C(Cc1ccc(-n2cnnn2)cc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732621790	1201551612	/nfs/dbraw/zinc/55/16/12/1201551612.db2.gz	BHJXSBIIWXGRSR-UHFFFAOYSA-N	-1	0	394.394	0.680	20	5		GCBDRM
CC(C)(C)CS(=O)(=O)[N-]C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000733058538	1201574525	/nfs/dbraw/zinc/57/45/25/1201574525.db2.gz	OFCQAVSOKYKERN-UHFFFAOYSA-N	-1	0	386.430	0.886	20	5		GCBDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000733713837	1201604551	/nfs/dbraw/zinc/60/45/51/1201604551.db2.gz	OETJVENLQXGNAD-UHFFFAOYSA-N	-1	0	385.398	0.955	20	5		GCBDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733716950	1201604554	/nfs/dbraw/zinc/60/45/54/1201604554.db2.gz	XOURCXJOQQEWGO-ZJUUUORDSA-N	-1	0	389.386	0.273	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CSc2nnnn2C2CC2)ccc1[N+](=O)[O-]	ZINC000734737238	1201661773	/nfs/dbraw/zinc/66/17/73/1201661773.db2.gz	OMSKYSKALUDECJ-UHFFFAOYSA-N	-1	0	398.426	0.822	20	5		GCBDRM
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[N-]S(=O)(=O)c1ccccn1	ZINC000734964947	1201666746	/nfs/dbraw/zinc/66/67/46/1201666746.db2.gz	CWTCJYZGQKGWDA-UHFFFAOYSA-N	-1	0	390.333	0.091	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1cccc([N+](=O)[O-])c1	ZINC000735402981	1201687606	/nfs/dbraw/zinc/68/76/06/1201687606.db2.gz	BXDRFWQNILXSGU-UHFFFAOYSA-N	-1	0	375.362	0.999	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)ccc1[N+](=O)[O-]	ZINC000741120868	1201758544	/nfs/dbraw/zinc/75/85/44/1201758544.db2.gz	NGITXAZJTPTYKN-UHFFFAOYSA-N	-1	0	383.342	0.903	20	5		GCBDRM
COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)C	ZINC000741446478	1201779793	/nfs/dbraw/zinc/77/97/93/1201779793.db2.gz	RGEXDSBKBFMDEN-AWEZNQCLSA-N	-1	0	387.414	0.495	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12	ZINC000766275569	1201783101	/nfs/dbraw/zinc/78/31/01/1201783101.db2.gz	NOWVEUAJWAKIQK-UHFFFAOYSA-N	-1	0	377.338	0.770	20	5		GCBDRM
Cn1cnc(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])nc3)cc2)n1	ZINC000780418797	1201920917	/nfs/dbraw/zinc/92/09/17/1201920917.db2.gz	ZISTWAHVUBCMEV-UHFFFAOYSA-N	-1	0	388.365	0.904	20	5		GCBDRM
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccsc1	ZINC000766452650	1201924998	/nfs/dbraw/zinc/92/49/98/1201924998.db2.gz	GMTQVSRXOKWKOK-UHFFFAOYSA-N	-1	0	398.422	0.961	20	5		GCBDRM
COC(=O)c1n[nH]cc1[N-]c1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-]	ZINC001169571583	1201951553	/nfs/dbraw/zinc/95/15/53/1201951553.db2.gz	NJHTWUQSTSHOHP-UHFFFAOYSA-N	-1	0	376.738	0.695	20	5		GCBDRM
NC(=O)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	ZINC000766910417	1201960724	/nfs/dbraw/zinc/96/07/24/1201960724.db2.gz	OSPRVRBEOVHIRX-UHFFFAOYSA-N	-1	0	392.393	0.752	20	5		GCBDRM
C[C@@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2[N+](=O)[O-])C1	ZINC000766927080	1201961657	/nfs/dbraw/zinc/96/16/57/1201961657.db2.gz	LOCGJVNLBCXBNT-SNVBAGLBSA-N	-1	0	384.414	0.376	20	5		GCBDRM
NC(=O)CS(=O)(=O)[N-]C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000766929024	1201961817	/nfs/dbraw/zinc/96/18/17/1201961817.db2.gz	WZYYMKMEGGWCKJ-UHFFFAOYSA-N	-1	0	398.319	0.347	20	5		GCBDRM
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]N1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000767162324	1201967698	/nfs/dbraw/zinc/96/76/98/1201967698.db2.gz	YGHBDDYWWSOSCL-KRWDZBQOSA-N	-1	0	386.368	0.916	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1	ZINC000768129070	1202003374	/nfs/dbraw/zinc/00/33/74/1202003374.db2.gz	AUIBFSUZOZWTGL-UHFFFAOYSA-N	-1	0	376.354	0.482	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc2[N+](=O)[O-])CC1	ZINC000770116591	1202086150	/nfs/dbraw/zinc/08/61/50/1202086150.db2.gz	OSXMDBYHKMLPLS-UHFFFAOYSA-N	-1	0	398.441	0.731	20	5		GCBDRM
COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1=O	ZINC000770728929	1202108720	/nfs/dbraw/zinc/10/87/20/1202108720.db2.gz	YHVQUYUNQPRTOU-SECBINFHSA-N	-1	0	389.361	0.034	20	5		GCBDRM
COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C	ZINC000770766875	1202110677	/nfs/dbraw/zinc/11/06/77/1202110677.db2.gz	NFGONJPAZMZGLQ-ZDUSSCGKSA-N	-1	0	391.377	0.326	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-n2cnnn2)cc1	ZINC000770765981	1202110745	/nfs/dbraw/zinc/11/07/45/1202110745.db2.gz	JDYPMTBTZPJNTJ-UHFFFAOYSA-N	-1	0	392.328	0.828	20	5		GCBDRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000771279466	1202133356	/nfs/dbraw/zinc/13/33/56/1202133356.db2.gz	HNSVUDHBWZQMGA-UHFFFAOYSA-N	-1	0	383.342	0.918	20	5		GCBDRM
CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000771965813	1202170195	/nfs/dbraw/zinc/17/01/95/1202170195.db2.gz	WBNWSHNIQVXYLQ-UHFFFAOYSA-N	-1	0	386.430	0.645	20	5		GCBDRM
O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCSC[C@H]1c1nnn[n-]1	ZINC000787903247	1205406265	/nfs/dbraw/zinc/40/62/65/1205406265.db2.gz	SBXPYADYXLKRHR-QWHCGFSZSA-N	-1	0	389.397	0.918	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1	ZINC000789482071	1205441182	/nfs/dbraw/zinc/44/11/82/1205441182.db2.gz	XGCQEFDICUUUGZ-UHFFFAOYSA-N	-1	0	377.338	0.770	20	5		GCBDRM
COc1cc(C)c(S(=O)(=O)[N-]C(=O)c2nn(C)cc2[N+](=O)[O-])cc1OC	ZINC000789562337	1205443677	/nfs/dbraw/zinc/44/36/77/1205443677.db2.gz	XYHCPBPEUFRSNJ-UHFFFAOYSA-N	-1	0	384.370	0.773	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)OC)c2)n1	ZINC000789562478	1205443771	/nfs/dbraw/zinc/44/37/71/1205443771.db2.gz	ASPOFYZUGOKOFI-UHFFFAOYSA-N	-1	0	396.381	0.858	20	5		GCBDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1	ZINC000790621816	1205468124	/nfs/dbraw/zinc/46/81/24/1205468124.db2.gz	GMXYAUDULHABHQ-NSHDSACASA-N	-1	0	391.358	0.493	20	5		GCBDRM
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ncccc1F	ZINC000791941697	1205481850	/nfs/dbraw/zinc/48/18/50/1205481850.db2.gz	MJXWCHFYSQDTOZ-UHFFFAOYSA-N	-1	0	382.329	0.364	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)cc([N+](=O)[O-])c1C	ZINC000793113721	1205496514	/nfs/dbraw/zinc/49/65/14/1205496514.db2.gz	VOCNCHXVVOXEEM-UHFFFAOYSA-N	-1	0	382.398	0.967	20	5		GCBDRM
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)Cc1ccccn1	ZINC000793313131	1205497918	/nfs/dbraw/zinc/49/79/18/1205497918.db2.gz	UKFKQXIOZNSGDP-UHFFFAOYSA-N	-1	0	375.366	0.986	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccon1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000747179138	1205512695	/nfs/dbraw/zinc/51/26/95/1205512695.db2.gz	NWPIATJTIWABPA-UHFFFAOYSA-N	-1	0	396.381	0.679	20	5		GCBDRM
Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccon2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000747182083	1205513066	/nfs/dbraw/zinc/51/30/66/1205513066.db2.gz	USGHTJRDTIWWED-UHFFFAOYSA-N	-1	0	392.353	0.732	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000809030793	1205616605	/nfs/dbraw/zinc/61/66/05/1205616605.db2.gz	JWYQWVPZBNKPIP-UHFFFAOYSA-N	-1	0	391.369	0.336	20	5		GCBDRM
COc1cc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)c([N+](=O)[O-])cc1OC	ZINC000809037930	1205617985	/nfs/dbraw/zinc/61/79/85/1205617985.db2.gz	MIEIXEIVKGITOC-UHFFFAOYSA-N	-1	0	384.370	0.773	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)cc([N+](=O)[O-])c1C	ZINC000810518032	1205639522	/nfs/dbraw/zinc/63/95/22/1205639522.db2.gz	XAELELVXBGOSSO-LLVKDONJSA-N	-1	0	393.425	0.950	20	5		GCBDRM
Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC2	ZINC000810657300	1205640610	/nfs/dbraw/zinc/64/06/10/1205640610.db2.gz	FGHUOWNWYAEATP-QMMMGPOBSA-N	-1	0	383.361	0.472	20	5		GCBDRM
COc1ccc(C(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)c2occ([O-])c21	ZINC000811165964	1205647643	/nfs/dbraw/zinc/64/76/43/1205647643.db2.gz	FZPUDBHMSUUFSS-UHFFFAOYSA-N	-1	0	375.293	0.952	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)n1	ZINC000811213206	1205649256	/nfs/dbraw/zinc/64/92/56/1205649256.db2.gz	NAUXQNNNKXVWQJ-UHFFFAOYSA-N	-1	0	378.366	0.966	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000747750889	1205659299	/nfs/dbraw/zinc/65/92/99/1205659299.db2.gz	BFQNNABQXTZRCQ-UHFFFAOYSA-N	-1	0	381.370	0.087	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCc2cccc([N+](=O)[O-])c2)CC1	ZINC000813945531	1205682528	/nfs/dbraw/zinc/68/25/28/1205682528.db2.gz	KMGFSOOMVXWOMQ-UHFFFAOYSA-N	-1	0	384.414	0.053	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000813950879	1205683294	/nfs/dbraw/zinc/68/32/94/1205683294.db2.gz	KLVVWBUPEXHDPI-LLVKDONJSA-N	-1	0	384.414	0.223	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000813987396	1205684905	/nfs/dbraw/zinc/68/49/05/1205684905.db2.gz	SUEUEOZXXFIJIC-UHFFFAOYSA-N	-1	0	391.369	0.336	20	5		GCBDRM
C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nnn[n-]1	ZINC000773998517	1205859506	/nfs/dbraw/zinc/85/95/06/1205859506.db2.gz	LWHLJANPFGDWQG-LLVKDONJSA-N	-1	0	375.389	0.820	20	5		GCBDRM
Cn1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)ccc1[N+](=O)[O-]	ZINC000774919903	1205928593	/nfs/dbraw/zinc/92/85/93/1205928593.db2.gz	NAKOCBMLTQBEAR-UHFFFAOYSA-N	-1	0	393.381	0.242	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc([N+](=O)[O-])c1	ZINC000432112530	939176539	/nfs/dbraw/zinc/17/65/39/939176539.db2.gz	MTTAHVAKGSTUBS-ZANVPECISA-N	-1	0	386.382	0.608	20	5		GCBDRM
O=C([O-])[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1	ZINC000595996696	939802439	/nfs/dbraw/zinc/80/24/39/939802439.db2.gz	ZOKSZMUPHDGWGO-CQSZACIVSA-N	-1	0	399.425	0.880	20	5		GCBDRM
CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H](C(=O)[O-])C2CC2)c([N+](=O)[O-])c1	ZINC000595995350	939802587	/nfs/dbraw/zinc/80/25/87/939802587.db2.gz	PDUBOVRIFYRTJU-ZDUSSCGKSA-N	-1	0	385.398	0.637	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCOCC1	ZINC000597163009	939803428	/nfs/dbraw/zinc/80/34/28/939803428.db2.gz	ZWGQYAVDLJCDHO-AWEZNQCLSA-N	-1	0	375.341	0.785	20	5		GCBDRM
O=C([O-])[C@H]1C[C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC001601575777	971023582	/nfs/dbraw/zinc/02/35/82/971023582.db2.gz	YLWUADWHFJCWPB-JOCQHMNTSA-N	-1	0	376.369	0.925	20	5		GCBDRM
Cc1[nH]nc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1-c1nn[nH]n1	ZINC000826322393	947942692	/nfs/dbraw/zinc/94/26/92/947942692.db2.gz	KPUNGVDPFNEAAB-UHFFFAOYSA-N	-1	0	378.374	0.791	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-]	ZINC001602757108	971470424	/nfs/dbraw/zinc/47/04/24/971470424.db2.gz	BHPUWPATEROMAB-SECBINFHSA-N	-1	0	391.377	0.642	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC000262067670	950060632	/nfs/dbraw/zinc/06/06/32/950060632.db2.gz	BNJPVZPGALVHJB-CQSZACIVSA-N	-1	0	398.441	0.584	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000262281780	950103444	/nfs/dbraw/zinc/10/34/44/950103444.db2.gz	ZGZCRMZFMXPCCQ-UONOGXRCSA-N	-1	0	397.409	0.539	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N(C)CCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000262853666	950173571	/nfs/dbraw/zinc/17/35/71/950173571.db2.gz	GYNABGQZBJJLLP-UHFFFAOYSA-N	-1	0	378.385	0.810	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262957556	950197619	/nfs/dbraw/zinc/19/76/19/950197619.db2.gz	NMTPKCDSZBRNEJ-KRWDZBQOSA-N	-1	0	379.369	0.664	20	5		GCBDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422579491	953424382	/nfs/dbraw/zinc/42/43/82/953424382.db2.gz	HQQJKCSSXGICTK-RYUDHWBXSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000427726278	953497015	/nfs/dbraw/zinc/49/70/15/953497015.db2.gz	FYWZALGAGVPSNW-NSHDSACASA-N	-1	0	378.385	0.856	20	5		GCBDRM
O=C([O-])C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCOCC1	ZINC000570165491	953654576	/nfs/dbraw/zinc/65/45/76/953654576.db2.gz	ZZILUPJBMHFCAC-UHFFFAOYSA-N	-1	0	397.409	0.822	20	5		GCBDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000590600616	953740251	/nfs/dbraw/zinc/74/02/51/953740251.db2.gz	JZTMBMPABUMXJZ-LLVKDONJSA-N	-1	0	381.366	0.973	20	5		GCBDRM
CC1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000592469273	953746099	/nfs/dbraw/zinc/74/60/99/953746099.db2.gz	ZOSWHNSXCMLPPA-UHFFFAOYSA-N	-1	0	399.425	0.977	20	5		GCBDRM
CN(CC(=O)N1CCC[C@]1(C)C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001593716293	954219860	/nfs/dbraw/zinc/21/98/60/954219860.db2.gz	DZZFBUKFUGMFMY-OAHLLOKOSA-N	-1	0	385.398	0.681	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001593750982	954409400	/nfs/dbraw/zinc/40/94/00/954409400.db2.gz	OBDSCKBXCUCJEW-INIZCTEOSA-N	-1	0	399.425	0.832	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CCO1	ZINC001594945110	954911498	/nfs/dbraw/zinc/91/14/98/954911498.db2.gz	JEHVWBCZWBOFSJ-LLVKDONJSA-N	-1	0	385.279	0.345	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC001594959700	955000871	/nfs/dbraw/zinc/00/08/71/955000871.db2.gz	BEDQOIJQTVCHJY-SNVBAGLBSA-N	-1	0	396.299	0.937	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)n1	ZINC001594548770	955702945	/nfs/dbraw/zinc/70/29/45/955702945.db2.gz	SKKZQTLZHFIHFP-BXUZGUMPSA-N	-1	0	387.352	0.485	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1	ZINC001593984168	956743704	/nfs/dbraw/zinc/74/37/04/956743704.db2.gz	FVKOUJCBAOXYRA-CYBMUJFWSA-N	-1	0	394.789	0.739	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCO1	ZINC001593984391	956748187	/nfs/dbraw/zinc/74/81/87/956748187.db2.gz	IORZXOYPTQQWNK-KRWDZBQOSA-N	-1	0	379.369	0.793	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1	ZINC001593985065	956760018	/nfs/dbraw/zinc/76/00/18/956760018.db2.gz	VGCGINBYYQLGBN-HNNXBMFYSA-N	-1	0	388.398	0.269	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC001594002495	956941078	/nfs/dbraw/zinc/94/10/78/956941078.db2.gz	NUOMXGNSEYRBGD-LLVKDONJSA-N	-1	0	383.357	0.742	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1	ZINC001574777585	957774775	/nfs/dbraw/zinc/77/47/75/957774775.db2.gz	VOXVWQOUGDTUGP-NWDGAFQWSA-N	-1	0	397.409	0.442	20	5		GCBDRM
CON(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC001594036641	957817694	/nfs/dbraw/zinc/81/76/94/957817694.db2.gz	RTZMWIXDOGQBSA-VIFPVBQESA-N	-1	0	375.359	0.078	20	5		GCBDRM
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001574248795	960500332	/nfs/dbraw/zinc/50/03/32/960500332.db2.gz	SCRZAOSKYZJULE-LBPRGKRZSA-N	-1	0	385.398	0.876	20	5		GCBDRM
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001574248794	960501003	/nfs/dbraw/zinc/50/10/03/960501003.db2.gz	SCRZAOSKYZJULE-GFCCVEGCSA-N	-1	0	385.398	0.876	20	5		GCBDRM
O=C([O-])[C@@]1(N2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)CCOC1	ZINC001331882798	961399854	/nfs/dbraw/zinc/39/98/54/961399854.db2.gz	FFOCNTUMQUXBEM-GOSISDBHSA-N	-1	0	392.412	0.785	20	5		GCBDRM
COc1cc(CN(CC(=O)[O-])C(=O)Cn2ccc([N+](=O)[O-])n2)cc(OC)c1	ZINC000262062571	961424736	/nfs/dbraw/zinc/42/47/36/961424736.db2.gz	BXTYORWYNKHMHI-UHFFFAOYSA-N	-1	0	378.341	0.922	20	5		GCBDRM
COc1ccccc1C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)[O-]	ZINC000262070907	961429589	/nfs/dbraw/zinc/42/95/89/961429589.db2.gz	FITABWUYMGFWMP-CYBMUJFWSA-N	-1	0	389.364	0.825	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NCCCn2nc3n(c2=O)CCCC3)cc([N+](=O)[O-])c1	ZINC000262675229	961801643	/nfs/dbraw/zinc/80/16/43/961801643.db2.gz	YGJQBWXFSJBQIW-UHFFFAOYSA-N	-1	0	389.368	0.808	20	5		GCBDRM
O=C([O-])CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262732749	961836507	/nfs/dbraw/zinc/83/65/07/961836507.db2.gz	DQJLIZMSPQDGJV-GFCCVEGCSA-N	-1	0	399.425	0.977	20	5		GCBDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263188359	962344453	/nfs/dbraw/zinc/34/44/53/962344453.db2.gz	XNAPOVHOLOGUCS-GWCFXTLKSA-N	-1	0	385.398	0.585	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001348423056	962436361	/nfs/dbraw/zinc/43/63/61/962436361.db2.gz	NTVLDONPRVWDCE-INIZCTEOSA-N	-1	0	399.425	0.453	20	5		GCBDRM
O=C([O-])[C@@]1(N2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CCOC1	ZINC001348482101	962444277	/nfs/dbraw/zinc/44/42/77/962444277.db2.gz	PMXXNAGTBWZLBI-QGZVFWFLSA-N	-1	0	379.369	0.362	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-]	ZINC001574670205	962548676	/nfs/dbraw/zinc/54/86/76/962548676.db2.gz	ZRTOINRUXNFTAF-GFCCVEGCSA-N	-1	0	390.801	0.891	20	5		GCBDRM
O=C([O-])CC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000263413216	962580270	/nfs/dbraw/zinc/58/02/70/962580270.db2.gz	JJBIMVCTVHZDAR-LBPRGKRZSA-N	-1	0	399.425	0.977	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1	ZINC000277203600	962849594	/nfs/dbraw/zinc/84/95/94/962849594.db2.gz	FVTQVEBASJCUJZ-NSHDSACASA-N	-1	0	385.354	0.789	20	5		GCBDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1	ZINC000263358378	967878632	/nfs/dbraw/zinc/87/86/32/967878632.db2.gz	RKSCVQCHAOHHBR-QWRGUYRKSA-N	-1	0	377.353	0.889	20	5		GCBDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000422595866	968349373	/nfs/dbraw/zinc/34/93/73/968349373.db2.gz	QZEGUQUKVOGAHQ-RYUDHWBXSA-N	-1	0	399.425	0.832	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC000593922326	968495027	/nfs/dbraw/zinc/49/50/27/968495027.db2.gz	PYRMSFQLWGGUQN-LLVKDONJSA-N	-1	0	379.373	0.106	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(N3CC(C(=O)[O-])C3)c([N+](=O)[O-])c2)CC1	ZINC001604220992	972711081	/nfs/dbraw/zinc/71/10/81/972711081.db2.gz	IISHWDZUNVFREC-UHFFFAOYSA-N	-1	0	384.414	0.052	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)ccc1[N+](=O)[O-]	ZINC001605219569	972966989	/nfs/dbraw/zinc/96/69/89/972966989.db2.gz	HNSFRCIXONBYEG-GFCCVEGCSA-N	-1	0	385.398	0.647	20	5		GCBDRM
O=C([O-])CCc1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1	ZINC001606215951	973467159	/nfs/dbraw/zinc/46/71/59/973467159.db2.gz	IXGQCOXQSDHZOP-UHFFFAOYSA-N	-1	0	389.368	0.886	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1=O	ZINC001606255275	973585621	/nfs/dbraw/zinc/58/56/21/973585621.db2.gz	JIIHVBWICLZMDZ-CYBMUJFWSA-N	-1	0	378.385	0.902	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1=O	ZINC001606255276	973585785	/nfs/dbraw/zinc/58/57/85/973585785.db2.gz	JIIHVBWICLZMDZ-ZDUSSCGKSA-N	-1	0	378.385	0.902	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)CCO1	ZINC001604557000	973591637	/nfs/dbraw/zinc/59/16/37/973591637.db2.gz	JTWPAPQEMOLNNG-INIZCTEOSA-N	-1	0	399.331	0.635	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1=O	ZINC001606257175	973601783	/nfs/dbraw/zinc/60/17/83/973601783.db2.gz	ICFMBLOUXOWTGY-GFCCVEGCSA-N	-1	0	379.369	0.946	20	5		GCBDRM
Cc1nn(CCC(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(C)c1[N+](=O)[O-]	ZINC000565032933	974562759	/nfs/dbraw/zinc/56/27/59/974562759.db2.gz	NSDHYJQVVHABSG-GFCCVEGCSA-N	-1	0	391.388	0.952	20	5		GCBDRM
CC(C)(C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)n1cc([N+](=O)[O-])cn1	ZINC000578536696	974857430	/nfs/dbraw/zinc/85/74/30/974857430.db2.gz	LLKHPSJYBUFOOM-JTQLQIEISA-N	-1	0	377.361	0.680	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1	ZINC000591459117	974970926	/nfs/dbraw/zinc/97/09/26/974970926.db2.gz	LMJDHCOQXFLGTL-GFCCVEGCSA-N	-1	0	385.760	0.219	20	5		GCBDRM
O=C([O-])c1cn([C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)nn1	ZINC000592448397	974975244	/nfs/dbraw/zinc/97/52/44/974975244.db2.gz	BYXVWYCDUQNNHF-SNVBAGLBSA-N	-1	0	381.370	0.910	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000595245556	974993024	/nfs/dbraw/zinc/99/30/24/974993024.db2.gz	WKMUEYZPWMCOHF-BDAKNGLRSA-N	-1	0	377.275	0.868	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc([N+](=O)[O-])c1	ZINC000597161133	975000471	/nfs/dbraw/zinc/00/04/71/975000471.db2.gz	QWXQGZYRRNMIJX-UHFFFAOYSA-N	-1	0	397.409	0.933	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000600655913	975003080	/nfs/dbraw/zinc/00/30/80/975003080.db2.gz	BOHCPYIHCOPVLR-UHFFFAOYSA-N	-1	0	387.414	0.773	20	5		GCBDRM
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CO[C@@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@](C)(C(=O)[O-])C1	ZINC000600874307	975009778	/nfs/dbraw/zinc/00/97/78/975009778.db2.gz	OMDYJZPRGULCCN-SJCJKPOMSA-N	-1	0	379.369	0.724	20	5		GCBDRM
CO[C@@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@](C)(C(=O)[O-])C1	ZINC000600874309	975009801	/nfs/dbraw/zinc/00/98/01/975009801.db2.gz	OMDYJZPRGULCCN-YVEFUNNKSA-N	-1	0	379.369	0.724	20	5		GCBDRM
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COc1cc(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)ccc1[N+](=O)[O-]	ZINC000776714634	978774151	/nfs/dbraw/zinc/77/41/51/978774151.db2.gz	HVQMLGYRSWLPFZ-UHFFFAOYSA-N	-1	0	399.381	0.988	20	5		GCBDRM
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CC[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001595131086	979547418	/nfs/dbraw/zinc/54/74/18/979547418.db2.gz	JMQMBHTXUSVVBL-NSHDSACASA-N	-1	0	387.414	0.682	20	5		GCBDRM
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CC[C@H](C)[C@H](NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)[O-]	ZINC001594894673	982325418	/nfs/dbraw/zinc/32/54/18/982325418.db2.gz	XCXWNALVJZXXGR-LRDDRELGSA-N	-1	0	379.417	0.727	20	5		GCBDRM
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CC(=O)N[C@H]1CCCN(C(=O)CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1	ZINC001589120482	985388748	/nfs/dbraw/zinc/38/87/48/985388748.db2.gz	ZZJZGYAKQCCDIL-KSSFIOAISA-N	-1	0	392.412	0.611	20	5		GCBDRM
CC(=O)NC1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001589121230	985391754	/nfs/dbraw/zinc/39/17/54/985391754.db2.gz	MTALRHZSDWGMJS-SNVBAGLBSA-N	-1	0	378.385	0.903	20	5		GCBDRM
CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1	ZINC001589129989	985415782	/nfs/dbraw/zinc/41/57/82/985415782.db2.gz	MXMHVZBYXJXPTK-NSHDSACASA-N	-1	0	385.398	0.830	20	5		GCBDRM
CC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001589130992	985424813	/nfs/dbraw/zinc/42/48/13/985424813.db2.gz	YZRYTMZFUHQULW-LLVKDONJSA-N	-1	0	385.398	0.972	20	5		GCBDRM
C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC001594655998	986901060	/nfs/dbraw/zinc/90/10/60/986901060.db2.gz	FRJFUCROBULIFA-BHYNMZESSA-N	-1	0	397.409	0.509	20	5		GCBDRM
CCC(=O)N1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC001594700996	987139826	/nfs/dbraw/zinc/13/98/26/987139826.db2.gz	ZAKMUZVCJMLJOM-UHFFFAOYSA-N	-1	0	385.398	0.926	20	5		GCBDRM
CCS(=O)(=O)N1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001597220821	987153710	/nfs/dbraw/zinc/15/37/10/987153710.db2.gz	FWRGKGFPGUYTOC-UHFFFAOYSA-N	-1	0	387.414	0.526	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001597563492	988315133	/nfs/dbraw/zinc/31/51/33/988315133.db2.gz	NVUBIFUHLKRYQY-VXGBXAGGSA-N	-1	0	386.382	0.652	20	5		GCBDRM
C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-]	ZINC001599853841	989056946	/nfs/dbraw/zinc/05/69/46/989056946.db2.gz	QFKGIXRNQSHHFB-VXGBXAGGSA-N	-1	0	399.425	0.785	20	5		GCBDRM
CC(C)(NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](O)C(=O)[O-]	ZINC001590879052	990789394	/nfs/dbraw/zinc/78/93/94/990789394.db2.gz	HAHBWOYXMYBGKA-VIFPVBQESA-N	-1	0	397.203	0.860	20	5		GCBDRM
CC(C)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC001590936077	990958830	/nfs/dbraw/zinc/95/88/30/990958830.db2.gz	YSYGCCFBNRCNEE-UHFFFAOYSA-N	-1	0	385.398	0.782	20	5		GCBDRM
CN(CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC001598386540	991608389	/nfs/dbraw/zinc/60/83/89/991608389.db2.gz	AHAQFQSAXOCJIC-XJKSGUPXSA-N	-1	0	399.425	0.130	20	5		GCBDRM
CN(CC(=O)N[C@@](C)(CC(=O)[O-])C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598387821	991625319	/nfs/dbraw/zinc/62/53/19/991625319.db2.gz	WMEIJDGONDWTOA-INIZCTEOSA-N	-1	0	399.425	0.975	20	5		GCBDRM
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COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001598767080	995844447	/nfs/dbraw/zinc/84/44/47/995844447.db2.gz	IEBGPPDWJZTESK-BZPMIXESSA-N	-1	0	382.369	0.673	20	5		GCBDRM
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COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	ZINC001598773858	995909351	/nfs/dbraw/zinc/90/93/51/995909351.db2.gz	JKRRMGLIVDLJEG-SMDDNHRTSA-N	-1	0	379.369	0.896	20	5		GCBDRM
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COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC001598783802	996011310	/nfs/dbraw/zinc/01/13/10/996011310.db2.gz	GWIIKRWFGMVAIT-CMPLNLGQSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1	ZINC001598785820	996028281	/nfs/dbraw/zinc/02/82/81/996028281.db2.gz	UMWUVHHMONROHX-PWSUYJOCSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC001598793350	996092301	/nfs/dbraw/zinc/09/23/01/996092301.db2.gz	PHSNQIIHRSMNHQ-FZMZJTMJSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C(=O)[O-])C1	ZINC001598795834	996109971	/nfs/dbraw/zinc/10/99/71/996109971.db2.gz	ZUGWRDWULHXRFD-VXGBXAGGSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1C(=O)[O-]	ZINC001598806580	996192680	/nfs/dbraw/zinc/19/26/80/996192680.db2.gz	GZJOHZHKSXGURC-CHWSQXEVSA-N	-1	0	375.337	0.882	20	5		GCBDRM
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COc1ccc(C(=O)NCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC001599482623	996793923	/nfs/dbraw/zinc/79/39/23/996793923.db2.gz	GBIDWGDVSKYDPY-QMMMGPOBSA-N	-1	0	393.274	0.855	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001599482600	996794127	/nfs/dbraw/zinc/79/41/27/996794127.db2.gz	DWSGBWZMVZZHKI-JTQLQIEISA-N	-1	0	387.295	0.654	20	5		GCBDRM
COCc1ccc(CNC(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cc1	ZINC001599293052	997092777	/nfs/dbraw/zinc/09/27/77/997092777.db2.gz	BLTFKVIDLFIAIQ-UHFFFAOYSA-N	-1	0	375.337	0.918	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001599190403	997112907	/nfs/dbraw/zinc/11/29/07/997112907.db2.gz	SYMMXFIQTVLEFT-KRWDZBQOSA-N	-1	0	391.336	0.283	20	5		GCBDRM
COc1cc(CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1F	ZINC001599408030	997364403	/nfs/dbraw/zinc/36/44/03/997364403.db2.gz	BTAKERUALFMZDK-JTQLQIEISA-N	-1	0	376.362	0.816	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001599335126	997820721	/nfs/dbraw/zinc/82/07/21/997820721.db2.gz	DXUVGAQWFNLBAZ-MRVPVSSYSA-N	-1	0	378.334	0.607	20	5		GCBDRM
COCCO[C@H]1C[C@H](CO)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001599248774	998192580	/nfs/dbraw/zinc/19/25/80/998192580.db2.gz	YYJSLPDWDSGPAX-NHYWBVRUSA-N	-1	0	382.369	0.779	20	5		GCBDRM
COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC001599248773	998192893	/nfs/dbraw/zinc/19/28/93/998192893.db2.gz	YYJSLPDWDSGPAX-IAQYHMDHSA-N	-1	0	382.369	0.779	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001599462171	998292308	/nfs/dbraw/zinc/29/23/08/998292308.db2.gz	RHANWEZRQYAMFR-GFCCVEGCSA-N	-1	0	380.357	0.159	20	5		GCBDRM
COc1cc(C(=O)[O-])ccc1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001599363950	998306076	/nfs/dbraw/zinc/30/60/76/998306076.db2.gz	LYKOFYHACNSLIJ-UHFFFAOYSA-N	-1	0	375.337	0.822	20	5		GCBDRM
COC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-]	ZINC001599167529	998564581	/nfs/dbraw/zinc/56/45/81/998564581.db2.gz	KSHUEUBOUGVOPL-TZMCWYRMSA-N	-1	0	379.369	0.724	20	5		GCBDRM
C[C@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](C(=O)[O-])C1	ZINC001594400731	999499872	/nfs/dbraw/zinc/49/98/72/999499872.db2.gz	KONYRANTQZYKRG-JOYOIKCWSA-N	-1	0	375.337	0.903	20	5		GCBDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC[S@@]1=O	ZINC001594431570	999606288	/nfs/dbraw/zinc/60/62/88/999606288.db2.gz	BCWAGUJIXJYNJN-WBNWAKSLSA-N	-1	0	376.412	0.825	20	5		GCBDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC[S@]1=O	ZINC001594431569	999606295	/nfs/dbraw/zinc/60/62/95/999606295.db2.gz	BCWAGUJIXJYNJN-XQHREBAHSA-N	-1	0	376.412	0.825	20	5		GCBDRM
Cn1cc(C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000558862849	530119525	/nfs/dbraw/zinc/11/95/25/530119525.db2.gz	RQYAYTDLFMZIDB-JTQLQIEISA-N	-1	0	388.789	0.956	20	5		GCBDRM
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000574080301	530131158	/nfs/dbraw/zinc/13/11/58/530131158.db2.gz	RBCCHKHIEAHZPW-MRVPVSSYSA-N	-1	0	380.400	0.347	20	5		GCBDRM
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC000536658075	530190076	/nfs/dbraw/zinc/19/00/76/530190076.db2.gz	LBXMHNJPPBVYLT-UHFFFAOYSA-N	-1	0	391.358	0.888	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(CS(C)(=O)=O)CC2)n1	ZINC000599315589	530162544	/nfs/dbraw/zinc/16/25/44/530162544.db2.gz	MYEDAXNXSSDENA-UHFFFAOYSA-N	-1	0	380.448	0.210	20	5		GCBDRM
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCS(=O)(=O)NCC1CCC1	ZINC000518318474	530177826	/nfs/dbraw/zinc/17/78/26/530177826.db2.gz	APRASRRRWHRMHK-UHFFFAOYSA-N	-1	0	395.434	0.732	20	5		GCBDRM
NC(=O)C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000560896619	530183867	/nfs/dbraw/zinc/18/38/67/530183867.db2.gz	MZILOTSKNPGBNV-LURJTMIESA-N	-1	0	385.276	0.221	20	5		GCBDRM
NS(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000561561375	530222690	/nfs/dbraw/zinc/22/26/90/530222690.db2.gz	MDZJMKGTFIPDSI-UHFFFAOYSA-N	-1	0	389.386	0.860	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCCS(=O)(=O)C2)c1	ZINC000287209516	530226418	/nfs/dbraw/zinc/22/64/18/530226418.db2.gz	MIGYOULRMIXAIK-SECBINFHSA-N	-1	0	392.411	0.396	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F	ZINC000286634181	530209483	/nfs/dbraw/zinc/20/94/83/530209483.db2.gz	ZMIQXHLISHEACD-JTQLQIEISA-N	-1	0	385.320	0.853	20	5		GCBDRM
CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1	ZINC000285146439	530218630	/nfs/dbraw/zinc/21/86/30/530218630.db2.gz	KNKTZJZCPXDAID-JTQLQIEISA-N	-1	0	380.829	0.911	20	5		GCBDRM
CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000565060656	530286233	/nfs/dbraw/zinc/28/62/33/530286233.db2.gz	DZAVZFWUIIJDKZ-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000562378619	530268428	/nfs/dbraw/zinc/26/84/28/530268428.db2.gz	NEDCBKIEYJXHLA-NSHDSACASA-N	-1	0	388.789	0.956	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O	ZINC000516186311	530310697	/nfs/dbraw/zinc/31/06/97/530310697.db2.gz	GODFCATUEGCVBG-QMMMGPOBSA-N	-1	0	394.427	0.655	20	5		GCBDRM
CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000563071075	530315784	/nfs/dbraw/zinc/31/57/84/530315784.db2.gz	SWZFNJLUUUTFRC-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
CSC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000579959079	530322690	/nfs/dbraw/zinc/32/26/90/530322690.db2.gz	FIKOKASDIFTNQM-CYBMUJFWSA-N	-1	0	378.428	0.994	20	5		GCBDRM
COCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000580703550	530324302	/nfs/dbraw/zinc/32/43/02/530324302.db2.gz	ZNCMTHBGVRSBOH-SNVBAGLBSA-N	-1	0	376.343	0.149	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000582653245	530329621	/nfs/dbraw/zinc/32/96/21/530329621.db2.gz	GKNBJNFJOFKMDE-BSNNYGBQSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000582653247	530329636	/nfs/dbraw/zinc/32/96/36/530329636.db2.gz	GKNBJNFJOFKMDE-RULNZOCKSA-N	-1	0	376.412	0.418	20	5		GCBDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1	ZINC000583920493	530358701	/nfs/dbraw/zinc/35/87/01/530358701.db2.gz	ZWQSADHQWHESGA-UHFFFAOYSA-N	-1	0	376.343	0.103	20	5		GCBDRM
NC(=O)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000480845276	530364237	/nfs/dbraw/zinc/36/42/37/530364237.db2.gz	YGFKPLJECPBEHJ-UHFFFAOYSA-N	-1	0	385.185	0.765	20	5		GCBDRM
CCS(=O)(=O)CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000582967446	530332374	/nfs/dbraw/zinc/33/23/74/530332374.db2.gz	FGEOSOCTZSTYQY-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
C[C@H]([C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])S(C)(=O)=O	ZINC000564920740	530351039	/nfs/dbraw/zinc/35/10/39/530351039.db2.gz	YKKJRYJSVFGOSG-DTWKUNHWSA-N	-1	0	394.427	0.735	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000564923635	530351243	/nfs/dbraw/zinc/35/12/43/530351243.db2.gz	LTWQICQMXPRVKD-ZDUSSCGKSA-N	-1	0	392.411	0.457	20	5		GCBDRM
C[C@@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCS(=O)(=O)C1	ZINC000566180458	530372575	/nfs/dbraw/zinc/37/25/75/530372575.db2.gz	LOHOMKNVZXEZNN-GFCCVEGCSA-N	-1	0	378.384	0.149	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c1	ZINC000566317187	530374359	/nfs/dbraw/zinc/37/43/59/530374359.db2.gz	GDOPQMFDGJQAOC-UHFFFAOYSA-N	-1	0	385.276	0.250	20	5		GCBDRM
CCOC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000290750177	530380352	/nfs/dbraw/zinc/38/03/52/530380352.db2.gz	YCNFZPXDSCNZGY-JTQLQIEISA-N	-1	0	376.343	0.149	20	5		GCBDRM
CS(=O)(=O)c1ccc(NCCNC(=O)CSCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000584557643	530392366	/nfs/dbraw/zinc/39/23/66/530392366.db2.gz	HHEFHTWHYZWMNM-UHFFFAOYSA-N	-1	0	391.427	0.344	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000567799368	530471197	/nfs/dbraw/zinc/47/11/97/530471197.db2.gz	MTWPOKAXINTOKI-DNKNOMGSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
CS(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000572607054	530518718	/nfs/dbraw/zinc/51/87/18/530518718.db2.gz	KUBRUEUXONIZJM-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
O=c1nc(CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[n-]o1	ZINC000573609866	530524796	/nfs/dbraw/zinc/52/47/96/530524796.db2.gz	IMVATPOUAOFPJD-UHFFFAOYSA-N	-1	0	393.175	0.555	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cc1[N+](=O)[O-]	ZINC000367141898	530583825	/nfs/dbraw/zinc/58/38/25/530583825.db2.gz	WNMNUQNZGOIFAP-UHFFFAOYSA-N	-1	0	378.334	0.655	20	5		GCBDRM
COCCCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000575064146	530576829	/nfs/dbraw/zinc/57/68/29/530576829.db2.gz	UKFQCRJSJZNXNG-UHFFFAOYSA-N	-1	0	376.387	0.967	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCSC[C@@H]1C(N)=O	ZINC000544936834	530590296	/nfs/dbraw/zinc/59/02/96/530590296.db2.gz	LHAPTJMIXNSFMA-SNVBAGLBSA-N	-1	0	389.411	0.193	20	5		GCBDRM
COCCOCCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000544940158	530590373	/nfs/dbraw/zinc/59/03/73/530590373.db2.gz	UHCJBBQKECMHHN-UHFFFAOYSA-N	-1	0	376.387	0.933	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000485300777	530591288	/nfs/dbraw/zinc/59/12/88/530591288.db2.gz	FPRXIGZERQTUMH-ZETCQYMHSA-N	-1	0	379.416	0.565	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)c1	ZINC000546253418	530693178	/nfs/dbraw/zinc/69/31/78/530693178.db2.gz	ATDBNMFCSOZTBK-VIFPVBQESA-N	-1	0	378.384	0.149	20	5		GCBDRM
C[C@H](O)[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274905344	530696769	/nfs/dbraw/zinc/69/67/69/530696769.db2.gz	JDXGMZWTGKCTGF-CDUCUWFYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000592140588	530757202	/nfs/dbraw/zinc/75/72/02/530757202.db2.gz	GDTUKQBFGXNPCI-BDAKNGLRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CCS(=O)(=O)CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000593312557	530800257	/nfs/dbraw/zinc/80/02/57/530800257.db2.gz	UEWJRCPNLILPRA-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000327355362	530830498	/nfs/dbraw/zinc/83/04/98/530830498.db2.gz	GWFOJPPZCLAFDH-UHFFFAOYSA-N	-1	0	389.777	0.711	20	5		GCBDRM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1	ZINC000462369930	530815652	/nfs/dbraw/zinc/81/56/52/530815652.db2.gz	RNBUWDDZQWXNGC-UHFFFAOYSA-N	-1	0	378.413	0.760	20	5		GCBDRM
C[C@H](O)[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000298857971	530848116	/nfs/dbraw/zinc/84/81/16/530848116.db2.gz	OZCNDLLWRPXIOR-CDUCUWFYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000576759965	530870996	/nfs/dbraw/zinc/87/09/96/530870996.db2.gz	NBWZIAULXZDGSE-BDAKNGLRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=c1[n-]c(Sc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n[nH]1	ZINC000429310016	530900261	/nfs/dbraw/zinc/90/02/61/530900261.db2.gz	OIIOWZVLNYOAGN-UHFFFAOYSA-N	-1	0	387.399	0.591	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC)c2)c([N+](=O)[O-])n1	ZINC000534497434	530903750	/nfs/dbraw/zinc/90/37/50/530903750.db2.gz	WKPXLAPOGWBBOZ-UHFFFAOYSA-N	-1	0	389.415	0.520	20	5		GCBDRM
NS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1	ZINC000327800653	530905423	/nfs/dbraw/zinc/90/54/23/530905423.db2.gz	FPKMVKOVPRLIKN-UHFFFAOYSA-N	-1	0	389.386	0.860	20	5		GCBDRM
O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000275022312	530906094	/nfs/dbraw/zinc/90/60/94/530906094.db2.gz	SBBHCYSIOQAOFE-LLVKDONJSA-N	-1	0	393.805	0.312	20	5		GCBDRM
O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000275033252	530906454	/nfs/dbraw/zinc/90/64/54/530906454.db2.gz	FWQDOPKZESDNDN-QMMMGPOBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1[N+](=O)[O-]	ZINC000274928104	530906620	/nfs/dbraw/zinc/90/66/20/530906620.db2.gz	OHJGMCQIQDTCBC-LDWIPMOCSA-N	-1	0	397.203	0.778	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC000276869477	530911667	/nfs/dbraw/zinc/91/16/67/530911667.db2.gz	CPZDFJBEWUZAJB-JTQLQIEISA-N	-1	0	392.411	0.084	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000275212879	530907036	/nfs/dbraw/zinc/90/70/36/530907036.db2.gz	HWENSFQRHSBOHB-VIFPVBQESA-N	-1	0	380.762	0.933	20	5		GCBDRM
NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000275167591	530907059	/nfs/dbraw/zinc/90/70/59/530907059.db2.gz	UWJFIFLGNDQRBC-GMSGAONNSA-N	-1	0	391.789	0.587	20	5		GCBDRM
O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000275130694	530907083	/nfs/dbraw/zinc/90/70/83/530907083.db2.gz	VIGNHPOBGLFNTJ-QMMMGPOBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000275192327	530907250	/nfs/dbraw/zinc/90/72/50/530907250.db2.gz	XXADGKNSVOVOAG-JTQLQIEISA-N	-1	0	392.411	0.166	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000275216193	530907256	/nfs/dbraw/zinc/90/72/56/530907256.db2.gz	IBIFFGRQDSNHEB-SECBINFHSA-N	-1	0	376.343	0.288	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000275290136	530907886	/nfs/dbraw/zinc/90/78/86/530907886.db2.gz	MBZHFXHFTHHRRU-VXNVDRBHSA-N	-1	0	395.187	0.566	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000275290132	530907940	/nfs/dbraw/zinc/90/79/40/530907940.db2.gz	MBZHFXHFTHHRRU-APPZFPTMSA-N	-1	0	395.187	0.566	20	5		GCBDRM
COCCOCCS(=O)(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000275368098	530908411	/nfs/dbraw/zinc/90/84/11/530908411.db2.gz	YHXYITGBDXMUNI-CYBMUJFWSA-N	-1	0	376.387	0.173	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000548573629	530883204	/nfs/dbraw/zinc/88/32/04/530883204.db2.gz	NDTJTNOIMCBMTM-IONNQARKSA-N	-1	0	377.400	0.304	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])n1	ZINC000548596640	530884119	/nfs/dbraw/zinc/88/41/19/530884119.db2.gz	QEDBWKYSKSXDHO-SNVBAGLBSA-N	-1	0	376.391	0.359	20	5		GCBDRM
O=C([O-])[C@]1(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCOC1	ZINC000370313010	530887441	/nfs/dbraw/zinc/88/74/41/530887441.db2.gz	FWCLKCIDOWDAFQ-NSHDSACASA-N	-1	0	395.187	0.879	20	5		GCBDRM
O=C([O-])[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1(=O)=O	ZINC000424418821	530889416	/nfs/dbraw/zinc/88/94/16/530889416.db2.gz	NPIHAPMCPSZAJQ-LLVKDONJSA-N	-1	0	380.325	0.880	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1C	ZINC000424367738	530889424	/nfs/dbraw/zinc/88/94/24/530889424.db2.gz	NPVGGRRIWLZXIT-GFCCVEGCSA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424369255	530889550	/nfs/dbraw/zinc/88/95/50/530889550.db2.gz	RCAYNDRGEZKFIS-NSHDSACASA-N	-1	0	392.411	0.084	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)c([N+](=O)[O-])n1	ZINC000527489110	530890619	/nfs/dbraw/zinc/89/06/19/530890619.db2.gz	DYPDAWGSRKDALH-UHFFFAOYSA-N	-1	0	375.388	0.259	20	5		GCBDRM
COC(=O)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)OC	ZINC000427243646	530895509	/nfs/dbraw/zinc/89/55/09/530895509.db2.gz	RLZVFWIVKJNRDB-JTQLQIEISA-N	-1	0	376.343	0.068	20	5		GCBDRM
O=C([O-])[C@@]1(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOC1	ZINC000374443864	530895609	/nfs/dbraw/zinc/89/56/09/530895609.db2.gz	PYXRYIFHQVZWCW-LLVKDONJSA-N	-1	0	395.187	0.879	20	5		GCBDRM
CCc1nc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)OC	ZINC000600668363	530931944	/nfs/dbraw/zinc/93/19/44/530931944.db2.gz	PDVLJIACRHMGCC-UHFFFAOYSA-N	-1	0	375.388	0.935	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000277324734	530912775	/nfs/dbraw/zinc/91/27/75/530912775.db2.gz	UWLPAGODULMZCU-ZDUSSCGKSA-N	-1	0	380.350	0.494	20	5		GCBDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	ZINC000277319463	530913206	/nfs/dbraw/zinc/91/32/06/530913206.db2.gz	UEHDHZKHAJJHHQ-QMMMGPOBSA-N	-1	0	380.350	0.853	20	5		GCBDRM
O=c1nc(CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[n-]o1	ZINC000470254804	530919917	/nfs/dbraw/zinc/91/99/17/530919917.db2.gz	MDTMSTNIKIJTJD-UHFFFAOYSA-N	-1	0	393.175	0.555	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-]	ZINC000619470512	530920344	/nfs/dbraw/zinc/92/03/44/530920344.db2.gz	ZLHOSZDFBQTIEC-MRVPVSSYSA-N	-1	0	376.343	0.288	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000282019066	530922633	/nfs/dbraw/zinc/92/26/33/530922633.db2.gz	JIVXEOKPHNQCHP-UHFFFAOYSA-N	-1	0	383.304	0.809	20	5		GCBDRM
NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1	ZINC000392691395	530923140	/nfs/dbraw/zinc/92/31/40/530923140.db2.gz	YOSDXJAXFPADNL-UHFFFAOYSA-N	-1	0	395.415	0.921	20	5		GCBDRM
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575805290	530926106	/nfs/dbraw/zinc/92/61/06/530926106.db2.gz	JRAMMKZUICUGDS-MRVPVSSYSA-N	-1	0	380.400	0.347	20	5		GCBDRM
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)OC	ZINC000285009149	530926695	/nfs/dbraw/zinc/92/66/95/530926695.db2.gz	DPOGREUEMFQAKO-QMMMGPOBSA-N	-1	0	398.752	0.770	20	5		GCBDRM
CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCn1cc([N+](=O)[O-])cn1	ZINC000296448217	530962584	/nfs/dbraw/zinc/96/25/84/530962584.db2.gz	WJEWCPFTIIYSLX-VIFPVBQESA-N	-1	0	388.324	0.595	20	5		GCBDRM
CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603582851	530935736	/nfs/dbraw/zinc/93/57/36/530935736.db2.gz	UTPVURBNSKRXJI-LLVKDONJSA-N	-1	0	376.412	0.970	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000604031627	530937342	/nfs/dbraw/zinc/93/73/42/530937342.db2.gz	MSUYVMZTPAHDIV-VIFPVBQESA-N	-1	0	379.416	0.003	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CS(C)(=O)=O	ZINC000575926604	530945391	/nfs/dbraw/zinc/94/53/91/530945391.db2.gz	DACKYMNLSSHMLK-SSDOTTSWSA-N	-1	0	380.400	0.313	20	5		GCBDRM
CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000269852500	530950890	/nfs/dbraw/zinc/95/08/90/530950890.db2.gz	GGLXRPLSUOWLDK-VIFPVBQESA-N	-1	0	381.407	0.294	20	5		GCBDRM
CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c(F)c1	ZINC000461108417	530983556	/nfs/dbraw/zinc/98/35/56/530983556.db2.gz	AEAYAWZIRVXEHM-UHFFFAOYSA-N	-1	0	390.374	0.723	20	5		GCBDRM
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccncc1[N+](=O)[O-]	ZINC000461111014	530983581	/nfs/dbraw/zinc/98/35/81/530983581.db2.gz	XVSJVPMQYHTRQJ-UHFFFAOYSA-N	-1	0	386.411	0.463	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1C	ZINC000547930635	531020861	/nfs/dbraw/zinc/02/08/61/531020861.db2.gz	YLPNUBLSEAYYQD-QVQLBTGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000576343533	531022779	/nfs/dbraw/zinc/02/27/79/531022779.db2.gz	ASLMJGQUFYRCHV-QMMMGPOBSA-N	-1	0	394.427	0.655	20	5		GCBDRM
O=C([O-])[C@H]1CSCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000274955494	531023459	/nfs/dbraw/zinc/02/34/59/531023459.db2.gz	IKYJAJQBDOHETQ-MRVPVSSYSA-N	-1	0	376.368	0.514	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000576634086	531083735	/nfs/dbraw/zinc/08/37/35/531083735.db2.gz	ALIKINZNMCNZFR-MRVPVSSYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CCn1cc(S(=O)(=O)NCCc2nc(C)c(C(=O)[O-])s2)c([N+](=O)[O-])n1	ZINC000548202551	531087640	/nfs/dbraw/zinc/08/76/40/531087640.db2.gz	HOYLOUMIYGLEFU-UHFFFAOYSA-N	-1	0	389.415	0.795	20	5		GCBDRM
C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000548225913	531088734	/nfs/dbraw/zinc/08/87/34/531088734.db2.gz	RAKIAVFJOQSOBM-APPZFPTMSA-N	-1	0	390.395	0.903	20	5		GCBDRM
CO[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548221719	531088870	/nfs/dbraw/zinc/08/88/70/531088870.db2.gz	BINNCHVUCKLKQM-VIFPVBQESA-N	-1	0	383.176	0.735	20	5		GCBDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000548235476	531089419	/nfs/dbraw/zinc/08/94/19/531089419.db2.gz	OAJKUGXXGZJLQO-UHFFFAOYSA-N	-1	0	376.343	0.103	20	5		GCBDRM
COC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-]	ZINC000297172163	531093973	/nfs/dbraw/zinc/09/39/73/531093973.db2.gz	KNYCULLYYXALJL-MRVPVSSYSA-N	-1	0	380.762	0.851	20	5		GCBDRM
COC(=O)C[C@@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000297261041	531099990	/nfs/dbraw/zinc/09/99/90/531099990.db2.gz	RSFQMWVTIGCRJA-MRVPVSSYSA-N	-1	0	380.306	0.037	20	5		GCBDRM
NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000548250657	531100737	/nfs/dbraw/zinc/10/07/37/531100737.db2.gz	SCYHVDLTQSJSMJ-OIBJUYFYSA-N	-1	0	391.789	0.587	20	5		GCBDRM
Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000737297573	598974795	/nfs/dbraw/zinc/97/47/95/598974795.db2.gz	CLMQTLXGXMHAIV-UHFFFAOYSA-N	-1	0	391.369	0.541	20	5		GCBDRM
O=C([O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC000819292611	596902409	/nfs/dbraw/zinc/90/24/09/596902409.db2.gz	XYEBQIBPNCVIBE-LLVKDONJSA-N	-1	0	385.398	0.527	20	5		GCBDRM
O=C([O-])C1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1	ZINC000740481819	596916991	/nfs/dbraw/zinc/91/69/91/596916991.db2.gz	TXDITBFVPPVZOG-UHFFFAOYSA-N	-1	0	399.425	0.917	20	5		GCBDRM
CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](C(=O)[O-])C1	ZINC000818552557	597483913	/nfs/dbraw/zinc/48/39/13/597483913.db2.gz	WLDIOUDLVGAHGW-LLVKDONJSA-N	-1	0	375.359	0.067	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)C(=O)[O-]	ZINC000262188814	597692417	/nfs/dbraw/zinc/69/24/17/597692417.db2.gz	GOFKECZOMKPRNX-NSHDSACASA-N	-1	0	389.368	0.832	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000787943321	597699146	/nfs/dbraw/zinc/69/91/46/597699146.db2.gz	HMFJTAMWBIDSPD-VIFPVBQESA-N	-1	0	391.377	0.642	20	5		GCBDRM
CC(=O)NCCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H](C)C(=O)[O-]	ZINC000819744312	597716380	/nfs/dbraw/zinc/71/63/80/597716380.db2.gz	FXWKJFXQMUDNEI-MEBBXXQBSA-N	-1	0	392.368	0.526	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000822645905	607322764	/nfs/dbraw/zinc/32/27/64/607322764.db2.gz	VTYGUCDDUFIYFF-UHFFFAOYSA-N	-1	0	395.332	0.371	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N=c2cc[nH]cc2-c2nnn[n-]2)cc([N+](=O)[O-])c1	ZINC000737173945	598381068	/nfs/dbraw/zinc/38/10/68/598381068.db2.gz	PJFVERXCUYENPQ-UHFFFAOYSA-N	-1	0	389.353	0.248	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NCCN2CCO[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736811061	599706048	/nfs/dbraw/zinc/70/60/48/599706048.db2.gz	QLSIZPQEMDZLKP-NEPJUHHUSA-N	-1	0	380.401	0.930	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NCCN2CCO[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736811067	599706118	/nfs/dbraw/zinc/70/61/18/599706118.db2.gz	QLSIZPQEMDZLKP-VXGBXAGGSA-N	-1	0	380.401	0.930	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NCCN2CCO[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736811065	599706138	/nfs/dbraw/zinc/70/61/38/599706138.db2.gz	QLSIZPQEMDZLKP-RYUDHWBXSA-N	-1	0	380.401	0.930	20	5		GCBDRM
CCS(=O)(=O)NCCNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737226788	599707637	/nfs/dbraw/zinc/70/76/37/599707637.db2.gz	TWXZKBLPDLMIFX-VIFPVBQESA-N	-1	0	388.402	0.149	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCN(c3cccnn3)CC2)c([N+](=O)[O-])c1	ZINC000739811910	599708115	/nfs/dbraw/zinc/70/81/15/599708115.db2.gz	CABVUWCCTQJIMJ-UHFFFAOYSA-N	-1	0	386.368	0.526	20	5		GCBDRM
C[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000736218850	599737535	/nfs/dbraw/zinc/73/75/35/599737535.db2.gz	CZHWDYNISICBKO-MRVPVSSYSA-N	-1	0	387.308	0.499	20	5		GCBDRM
C[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000736218851	599737537	/nfs/dbraw/zinc/73/75/37/599737537.db2.gz	CZHWDYNISICBKO-QMMMGPOBSA-N	-1	0	387.308	0.499	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000739915422	599740713	/nfs/dbraw/zinc/74/07/13/599740713.db2.gz	PGKHDHLNDVTCAO-UHFFFAOYSA-N	-1	0	397.369	0.183	20	5		GCBDRM
C[C@@H](CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000262564265	599773576	/nfs/dbraw/zinc/77/35/76/599773576.db2.gz	ZPRAVZGOXURDGX-FZMZJTMJSA-N	-1	0	399.425	0.975	20	5		GCBDRM
Cc1nn(CCC(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c(C)c1[N+](=O)[O-]	ZINC000738380989	599885533	/nfs/dbraw/zinc/88/55/33/599885533.db2.gz	BNGSTTZAFKYPTB-UHFFFAOYSA-N	-1	0	382.373	0.665	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCC(=O)NCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000738325742	599887195	/nfs/dbraw/zinc/88/71/95/599887195.db2.gz	AIIQKIGRALTHNW-ZDUSSCGKSA-N	-1	0	393.352	0.252	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000610892162	599939356	/nfs/dbraw/zinc/93/93/56/599939356.db2.gz	YYXHLGYPMYLOIO-GJZGRUSLSA-N	-1	0	391.380	0.820	20	5		GCBDRM
O=C([O-])[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(F)c1	ZINC000485796676	599943063	/nfs/dbraw/zinc/94/30/63/599943063.db2.gz	VDFUGTVVBMPFGJ-GFCCVEGCSA-N	-1	0	377.328	0.955	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1	ZINC000610852471	599946352	/nfs/dbraw/zinc/94/63/52/599946352.db2.gz	RVKNVTCIVFUJMT-ZDUSSCGKSA-N	-1	0	379.325	0.595	20	5		GCBDRM
CCN(CC)S(=O)(=O)c1ccc(N2CCO[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000580170935	599959383	/nfs/dbraw/zinc/95/93/83/599959383.db2.gz	RSSXTIKEFIDMNI-CQSZACIVSA-N	-1	0	387.414	0.915	20	5		GCBDRM
CCc1nnc2n1CCN(c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000737288897	599967397	/nfs/dbraw/zinc/96/73/97/599967397.db2.gz	YYSMUKRZTWSZSO-JTQLQIEISA-N	-1	0	388.384	0.972	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1	ZINC000738551002	599984446	/nfs/dbraw/zinc/98/44/46/599984446.db2.gz	FQVYWJYJAGNZNM-SNVBAGLBSA-N	-1	0	395.187	0.831	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000262633942	600059399	/nfs/dbraw/zinc/05/93/99/600059399.db2.gz	OXXFDNVHRLVBTN-QWRGUYRKSA-N	-1	0	383.382	0.148	20	5		GCBDRM
CN(C)C(=O)CN1CCC(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000737349956	600074162	/nfs/dbraw/zinc/07/41/62/600074162.db2.gz	JYZKKEFHUDKXCQ-UHFFFAOYSA-N	-1	0	378.385	0.575	20	5		GCBDRM
O=Cc1ccc(OCC(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000740317952	600089738	/nfs/dbraw/zinc/08/97/38/600089738.db2.gz	IJSDJBWJQLYMAJ-UHFFFAOYSA-N	-1	0	394.336	0.653	20	5		GCBDRM
O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000262599150	600102720	/nfs/dbraw/zinc/10/27/20/600102720.db2.gz	JLLOUXXMTUJXFD-OLZOCXBDSA-N	-1	0	383.382	0.148	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NCCN2CCOC[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655893	600161760	/nfs/dbraw/zinc/16/17/60/600161760.db2.gz	GLTQZBXHPAODKB-NEPJUHHUSA-N	-1	0	380.401	0.930	20	5		GCBDRM
COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000737620434	600171324	/nfs/dbraw/zinc/17/13/24/600171324.db2.gz	YNNIFFMPUNOSSN-UHFFFAOYSA-N	-1	0	395.368	0.240	20	5		GCBDRM
CCOc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000737194993	600172134	/nfs/dbraw/zinc/17/21/34/600172134.db2.gz	RLKSEFDVPVMTHA-UHFFFAOYSA-N	-1	0	381.385	0.853	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)OCc2noc(CCC(=O)[O-])n2)cc1[N+](=O)[O-]	ZINC000738174682	600182611	/nfs/dbraw/zinc/18/26/11/600182611.db2.gz	CDCKUCKOLUPLGJ-UHFFFAOYSA-N	-1	0	399.337	0.756	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc([N+](=O)[O-])c1	ZINC000740314465	600191807	/nfs/dbraw/zinc/19/18/07/600191807.db2.gz	AANTZZWJSGNTQJ-UHFFFAOYSA-N	-1	0	376.325	1.000	20	5		GCBDRM
C[C@@](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)(C(=O)[O-])C1CC1	ZINC000736636260	600200387	/nfs/dbraw/zinc/20/03/87/600200387.db2.gz	KWWCRYPODGVJPJ-HNNXBMFYSA-N	-1	0	385.398	0.633	20	5		GCBDRM
O=C([O-])CNC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000739808695	600214666	/nfs/dbraw/zinc/21/46/66/600214666.db2.gz	HOGHSBRFKAFWIU-QMMMGPOBSA-N	-1	0	385.354	0.005	20	5		GCBDRM
CNC(=O)[C@H]1CCCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000737536937	600239626	/nfs/dbraw/zinc/23/96/26/600239626.db2.gz	AQJXVHNCYAFVHV-JQWIXIFHSA-N	-1	0	378.385	0.760	20	5		GCBDRM
COCCN(C(C)=O)c1nc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cs1	ZINC000737765195	600247500	/nfs/dbraw/zinc/24/75/00/600247500.db2.gz	PJJWCBKBESTSDX-UHFFFAOYSA-N	-1	0	396.381	0.959	20	5		GCBDRM
COCCN(C(C)=O)c1nc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cs1	ZINC000737764153	600247846	/nfs/dbraw/zinc/24/78/46/600247846.db2.gz	FJLVHILSTNGWIQ-UHFFFAOYSA-N	-1	0	396.381	0.959	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC000739785598	600262888	/nfs/dbraw/zinc/26/28/88/600262888.db2.gz	PWYCSPQLPYMCHN-UHFFFAOYSA-N	-1	0	385.348	0.358	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655107	600282142	/nfs/dbraw/zinc/28/21/42/600282142.db2.gz	AXQZBIWMXJONEC-SECBINFHSA-N	-1	0	378.341	0.359	20	5		GCBDRM
CC[C@H](C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736880407	600368214	/nfs/dbraw/zinc/36/82/14/600368214.db2.gz	WGXUSFZTPONPTI-IINYFYTJSA-N	-1	0	387.414	0.831	20	5		GCBDRM
CN(CC(=O)NC1CCC(C(=O)[O-])CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262143134	600378161	/nfs/dbraw/zinc/37/81/61/600378161.db2.gz	YBQFDZQHKWNFBN-UHFFFAOYSA-N	-1	0	399.425	0.975	20	5		GCBDRM
COCCN(CC(=O)[O-])C(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000737768108	600383032	/nfs/dbraw/zinc/38/30/32/600383032.db2.gz	QFDYGWLQJAGOHU-SECBINFHSA-N	-1	0	379.325	0.139	20	5		GCBDRM
CCN(C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000737060617	600445149	/nfs/dbraw/zinc/44/51/49/600445149.db2.gz	OVTRBDDPFGSILQ-SNVBAGLBSA-N	-1	0	386.382	0.707	20	5		GCBDRM
O=C([O-])c1ccc(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1	ZINC000554283349	600497434	/nfs/dbraw/zinc/49/74/34/600497434.db2.gz	TWHWJRNKACKNQZ-UHFFFAOYSA-N	-1	0	397.365	0.871	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc([N+](=O)[O-])c1	ZINC000739458045	600544055	/nfs/dbraw/zinc/54/40/55/600544055.db2.gz	GTJTWGKOQPOPGV-UHFFFAOYSA-N	-1	0	392.349	0.729	20	5		GCBDRM
C[C@H](CN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000736568521	600594468	/nfs/dbraw/zinc/59/44/68/600594468.db2.gz	BSVLJIDOYINIGS-SECBINFHSA-N	-1	0	388.402	0.223	20	5		GCBDRM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000272340120	600661781	/nfs/dbraw/zinc/66/17/81/600661781.db2.gz	BRFZCPUMZIBOFH-VXGBXAGGSA-N	-1	0	399.425	0.880	20	5		GCBDRM
O=C([O-])C[C@@H]1CSCCN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000739651186	600667060	/nfs/dbraw/zinc/66/70/60/600667060.db2.gz	NYCJAHJPGMSSBE-SNVBAGLBSA-N	-1	0	381.366	0.921	20	5		GCBDRM
CN(C[C@H]1CCS(=O)(=O)C1)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000737413332	600709843	/nfs/dbraw/zinc/70/98/43/600709843.db2.gz	LQOSQIDUPCLOAQ-SNVBAGLBSA-N	-1	0	385.398	0.280	20	5		GCBDRM
COC(=O)c1cc(OS(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000831331450	600746882	/nfs/dbraw/zinc/74/68/82/600746882.db2.gz	QBCUDFIPSHIBFO-UHFFFAOYSA-N	-1	0	385.310	0.430	20	5		GCBDRM
CS(=O)(=O)CCn1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000738127120	600758147	/nfs/dbraw/zinc/75/81/47/600758147.db2.gz	NGCMDTKFMIIBFW-UHFFFAOYSA-N	-1	0	382.354	0.786	20	5		GCBDRM
CCOCCN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	ZINC000830011699	600812899	/nfs/dbraw/zinc/81/28/99/600812899.db2.gz	LROVJFTZTUQNPE-CYBMUJFWSA-N	-1	0	394.428	0.956	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NCc2nnnn2C2CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703878	600824782	/nfs/dbraw/zinc/82/47/82/600824782.db2.gz	SRTHTVRLMCIXNA-QMMMGPOBSA-N	-1	0	375.345	0.731	20	5		GCBDRM
C[C@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1	ZINC000828175599	600937848	/nfs/dbraw/zinc/93/78/48/600937848.db2.gz	CRLDCHDQIDQZLU-XPTSAGLGSA-N	-1	0	387.352	0.950	20	5		GCBDRM
Cc1cc(N2CC[C@@H](NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2=O)n(C)n1	ZINC000738229578	601112270	/nfs/dbraw/zinc/11/22/70/601112270.db2.gz	HCNHTSDYCWYVOO-CYBMUJFWSA-N	-1	0	387.352	0.870	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)Cn2ccc([N+](=O)[O-])n2)C1=O	ZINC000833122762	601112685	/nfs/dbraw/zinc/11/26/85/601112685.db2.gz	MWWFTWVPMACLPE-SECBINFHSA-N	-1	0	380.338	0.900	20	5		GCBDRM
Cc1c(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cccc1[N+](=O)[O-]	ZINC000832856480	601173040	/nfs/dbraw/zinc/17/30/40/601173040.db2.gz	WAUMRKXUNXPNSN-NSHDSACASA-N	-1	0	378.385	0.849	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704211	601201758	/nfs/dbraw/zinc/20/17/58/601201758.db2.gz	VMORSHIQZXJBMR-GHMZBOCLSA-N	-1	0	378.385	0.890	20	5		GCBDRM
Cc1nnc([C@@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])CCO2)[nH]1	ZINC000832990587	601214012	/nfs/dbraw/zinc/21/40/12/601214012.db2.gz	DADJEPQDYSGHKX-ZDUSSCGKSA-N	-1	0	390.356	0.414	20	5		GCBDRM
C[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1N1CCOCC1	ZINC000828486271	601253874	/nfs/dbraw/zinc/25/38/74/601253874.db2.gz	LWCICAFOVKUWNI-MLGOLLRUSA-N	-1	0	392.412	0.566	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCCS(=O)(=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703853	601253933	/nfs/dbraw/zinc/25/39/33/601253933.db2.gz	RVSKLUUAXRYCFU-JTQLQIEISA-N	-1	0	385.398	0.423	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000832454914	601259630	/nfs/dbraw/zinc/25/96/30/601259630.db2.gz	CKUDCTJYURTYHT-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
COC[C@](C)(CC(=O)[O-])NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262084303	601295871	/nfs/dbraw/zinc/29/58/71/601295871.db2.gz	KRAPEUCGVRSMSG-INIZCTEOSA-N	-1	0	381.341	0.316	20	5		GCBDRM
COC(=O)C[C@@H]1CN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000831148169	601382776	/nfs/dbraw/zinc/38/27/76/601382776.db2.gz	QFXHWWCJMBLFKF-ZYHUDNBSSA-N	-1	0	395.368	0.566	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000832885669	601505931	/nfs/dbraw/zinc/50/59/31/601505931.db2.gz	IZNCRVZEAIGQJO-SNVBAGLBSA-N	-1	0	391.789	0.520	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000832885667	601506029	/nfs/dbraw/zinc/50/60/29/601506029.db2.gz	IZNCRVZEAIGQJO-JTQLQIEISA-N	-1	0	391.789	0.520	20	5		GCBDRM
O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1	ZINC000833215369	601670816	/nfs/dbraw/zinc/67/08/16/601670816.db2.gz	HIADAYXNMQZJMU-WDEREUQCSA-N	-1	0	381.341	0.495	20	5		GCBDRM
C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000828334023	601715294	/nfs/dbraw/zinc/71/52/94/601715294.db2.gz	LDYIAQKCHYLBBQ-GWCFXTLKSA-N	-1	0	385.398	0.394	20	5		GCBDRM
O=C([O-])C1(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCS(=O)(=O)CC1	ZINC000833127670	601716842	/nfs/dbraw/zinc/71/68/42/601716842.db2.gz	UMJPFODNAJVFFG-UHFFFAOYSA-N	-1	0	381.366	0.838	20	5		GCBDRM
O=C([O-])C1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCS(=O)(=O)CC1	ZINC000833115625	601719865	/nfs/dbraw/zinc/71/98/65/601719865.db2.gz	WOQCGAOWOBGHJL-UHFFFAOYSA-N	-1	0	390.345	0.261	20	5		GCBDRM
O=C(CCOc1ccccc1[N+](=O)[O-])NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000833100474	601719899	/nfs/dbraw/zinc/71/98/99/601719899.db2.gz	CDBRYIZGIITKQZ-UHFFFAOYSA-N	-1	0	386.382	0.512	20	5		GCBDRM
O=C(CSc1ccccc1[N+](=O)[O-])NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000833115899	601719973	/nfs/dbraw/zinc/71/99/73/601719973.db2.gz	HPTARZNZNCSZKK-UHFFFAOYSA-N	-1	0	388.423	0.835	20	5		GCBDRM
O=C([O-])C1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCS(=O)(=O)CC1	ZINC000833127112	601720821	/nfs/dbraw/zinc/72/08/21/601720821.db2.gz	CUKABUPSNPNQBL-UHFFFAOYSA-N	-1	0	381.366	0.838	20	5		GCBDRM
O=C([O-])C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1	ZINC000262800174	601739051	/nfs/dbraw/zinc/73/90/51/601739051.db2.gz	PEXBIJKQOXWKDX-NSHDSACASA-N	-1	0	379.325	0.022	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000831976009	601739190	/nfs/dbraw/zinc/73/91/90/601739190.db2.gz	KGIIZOWLTJWGAT-LLVKDONJSA-N	-1	0	382.325	0.497	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000831976010	601739470	/nfs/dbraw/zinc/73/94/70/601739470.db2.gz	KGIIZOWLTJWGAT-NSHDSACASA-N	-1	0	382.325	0.497	20	5		GCBDRM
Cc1c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000262466706	601740008	/nfs/dbraw/zinc/74/00/08/601740008.db2.gz	YGQVAMAAJMFGAE-CYBMUJFWSA-N	-1	0	375.341	0.800	20	5		GCBDRM
CC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000592469110	601754027	/nfs/dbraw/zinc/75/40/27/601754027.db2.gz	VFWMMXAJKLLDCF-STQMWFEESA-N	-1	0	385.398	0.727	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000832958773	601808571	/nfs/dbraw/zinc/80/85/71/601808571.db2.gz	UKLHJMDVECBQGB-UHFFFAOYSA-N	-1	0	392.411	0.214	20	5		GCBDRM
COC[C@](C)(NC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)[O-]	ZINC000831597453	601820123	/nfs/dbraw/zinc/82/01/23/601820123.db2.gz	UXBQROVTIIGSLZ-PWJLMRLQSA-N	-1	0	379.325	0.185	20	5		GCBDRM
Nc1nc(NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)ncc1[N+](=O)[O-]	ZINC000833090701	601862598	/nfs/dbraw/zinc/86/25/98/601862598.db2.gz	BDDMMPGOTPGNOK-UHFFFAOYSA-N	-1	0	381.370	0.579	20	5		GCBDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000736371363	601916457	/nfs/dbraw/zinc/91/64/57/601916457.db2.gz	VARWQYNUIRDVOE-LBPRGKRZSA-N	-1	0	388.402	0.282	20	5		GCBDRM
Cn1c(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)ccc1[N+](=O)[O-]	ZINC000833039026	601974268	/nfs/dbraw/zinc/97/42/68/601974268.db2.gz	SUTDINKRENRIQO-UHFFFAOYSA-N	-1	0	395.393	0.863	20	5		GCBDRM
O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1	ZINC000833263953	601993242	/nfs/dbraw/zinc/99/32/42/601993242.db2.gz	YLWURAMJOFZVQV-UHFFFAOYSA-N	-1	0	381.366	0.852	20	5		GCBDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000827263385	602068644	/nfs/dbraw/zinc/06/86/44/602068644.db2.gz	PSJCTDJYOQXKLL-NSHDSACASA-N	-1	0	385.398	0.539	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1	ZINC000760117519	602206354	/nfs/dbraw/zinc/20/63/54/602206354.db2.gz	ANCHQQWKCJHWKW-JTQLQIEISA-N	-1	0	395.187	0.831	20	5		GCBDRM
C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000262723120	602244114	/nfs/dbraw/zinc/24/41/14/602244114.db2.gz	XBWPDRVQTHERTN-GHMZBOCLSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000830623621	602250644	/nfs/dbraw/zinc/25/06/44/602250644.db2.gz	GJKDHYRZSXLTPE-UHFFFAOYSA-N	-1	0	392.821	0.875	20	5		GCBDRM
C[C@H](CC(=O)[O-])C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000827333535	602279997	/nfs/dbraw/zinc/27/99/97/602279997.db2.gz	OJQBJQBIHDJWEP-GFCCVEGCSA-N	-1	0	379.369	0.897	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cn(C[C@H](O)CN2C(=O)c3ccccc3C2=O)c1=O	ZINC000833308634	602300258	/nfs/dbraw/zinc/30/02/58/602300258.db2.gz	XEDVTCNHJNZVLA-JTQLQIEISA-N	-1	0	387.304	0.112	20	5		GCBDRM
COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826133018	607581734	/nfs/dbraw/zinc/58/17/34/607581734.db2.gz	IIPCKJVXRBIYOR-VIFPVBQESA-N	-1	0	382.358	0.101	20	5		GCBDRM
C[C@@H](Cn1ccnc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824466455	607588135	/nfs/dbraw/zinc/58/81/35/607588135.db2.gz	XDUUQQKAXGBBQX-VIFPVBQESA-N	-1	0	378.374	0.338	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c1-c1nnn[n-]1	ZINC000826500442	607589199	/nfs/dbraw/zinc/58/91/99/607589199.db2.gz	YLMHBKVAAMMJGE-SNVBAGLBSA-N	-1	0	394.413	0.965	20	5		GCBDRM
Cn1cc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cn1	ZINC000826360455	607592856	/nfs/dbraw/zinc/59/28/56/607592856.db2.gz	KQPXCBDFONERPC-UHFFFAOYSA-N	-1	0	378.374	0.029	20	5		GCBDRM
CC(C)N1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1=O	ZINC000824296929	607603078	/nfs/dbraw/zinc/60/30/78/607603078.db2.gz	MGGGPUJTUPTXTI-SECBINFHSA-N	-1	0	395.401	0.063	20	5		GCBDRM
O=C([O-])N1CCC[C@@H](NC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000739388367	603300843	/nfs/dbraw/zinc/30/08/43/603300843.db2.gz	QQDGFGLCRQWFNU-XBFCOCLRSA-N	-1	0	382.373	0.431	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(O)cc2)c1-c1nnn[n-]1	ZINC000826500031	607623316	/nfs/dbraw/zinc/62/33/16/607623316.db2.gz	IUWICGRAGCMKHZ-UHFFFAOYSA-N	-1	0	376.354	0.959	20	5		GCBDRM
CC[C@H](C)[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825051587	607635915	/nfs/dbraw/zinc/63/59/15/607635915.db2.gz	RUTOCMRYIBUMSP-XPTSAGLGSA-N	-1	0	384.418	0.850	20	5		GCBDRM
CSC[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826228640	607642937	/nfs/dbraw/zinc/64/29/37/607642937.db2.gz	VVZKVGQKDUYKAU-QMMMGPOBSA-N	-1	0	388.431	0.167	20	5		GCBDRM
CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@@H]2CCO[C@@H]21	ZINC000824790081	607643408	/nfs/dbraw/zinc/64/34/08/607643408.db2.gz	KIEPVGSDWNEYGX-CKLFPEKLSA-N	-1	0	394.413	0.867	20	5		GCBDRM
Cc1c(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000829851291	603799447	/nfs/dbraw/zinc/79/94/47/603799447.db2.gz	YVSXOHAXMQIAGR-VIFPVBQESA-N	-1	0	386.386	0.423	20	5		GCBDRM
CCC(CC)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)OC	ZINC000825097324	607654321	/nfs/dbraw/zinc/65/43/21/607654321.db2.gz	VGLAHNYKNYCQOL-UHFFFAOYSA-N	-1	0	398.401	0.785	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCO[C@@H]2CCOC2)c1-c1nnn[n-]1	ZINC000826500039	607670298	/nfs/dbraw/zinc/67/02/98/607670298.db2.gz	JCGZKQOHNXPALB-SNVBAGLBSA-N	-1	0	398.401	0.249	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(F)cn2)c1-c1nnn[n-]1	ZINC000826500167	607674882	/nfs/dbraw/zinc/67/48/82/607674882.db2.gz	NKJJOYFOWRURQE-UHFFFAOYSA-N	-1	0	379.333	0.788	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)OC(C)(C)C	ZINC000824640539	607676501	/nfs/dbraw/zinc/67/65/01/607676501.db2.gz	KLHUXOMQDAMDCY-QMMMGPOBSA-N	-1	0	398.401	0.783	20	5		GCBDRM
CCC(=O)N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000825034907	607673350	/nfs/dbraw/zinc/67/33/50/607673350.db2.gz	TXSKBCUILVJMKT-VIFPVBQESA-N	-1	0	395.401	0.064	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NC[C@@H]2CCCS2(=O)=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704284	604279611	/nfs/dbraw/zinc/27/96/11/604279611.db2.gz	WZACRTFZJRPESD-KOLCDFICSA-N	-1	0	385.398	0.787	20	5		GCBDRM
C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)C(=O)[O-]	ZINC000827442736	604625889	/nfs/dbraw/zinc/62/58/89/604625889.db2.gz	QDQRXIHGLCLYJZ-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CN(C)CCO1	ZINC000827703333	604637383	/nfs/dbraw/zinc/63/73/83/604637383.db2.gz	KOIUNSREMWKNQP-ZETOZRRWSA-N	-1	0	380.401	0.929	20	5		GCBDRM
O=C([O-])N1CC(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	ZINC000740489635	604637577	/nfs/dbraw/zinc/63/75/77/604637577.db2.gz	PWHMTXPHLDKOMS-UHFFFAOYSA-N	-1	0	386.386	0.390	20	5		GCBDRM
COC(=O)c1cc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)cc([N+](=O)[O-])c1	ZINC000831242847	604672127	/nfs/dbraw/zinc/67/21/27/604672127.db2.gz	SEKCNYPKIFAQHC-MRVPVSSYSA-N	-1	0	378.297	0.976	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)OCCNC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000833390622	604737035	/nfs/dbraw/zinc/73/70/35/604737035.db2.gz	CCYYIHWUVFQFJB-UHFFFAOYSA-N	-1	0	380.357	0.688	20	5		GCBDRM
O=C([O-])/C=C1/SCC(=O)N1CCCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1	ZINC000833195964	604760588	/nfs/dbraw/zinc/76/05/88/604760588.db2.gz	KVHPBIVRVPMWHP-NYYWCZLTSA-N	-1	0	384.326	0.556	20	5		GCBDRM
CN(Cc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1)C(=O)[O-]	ZINC000830830475	604876501	/nfs/dbraw/zinc/87/65/01/604876501.db2.gz	FBWUZGJLBQDOLB-UHFFFAOYSA-N	-1	0	390.356	0.656	20	5		GCBDRM
CC(C)[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833470758	604905956	/nfs/dbraw/zinc/90/59/56/604905956.db2.gz	CDTSFKUALYLTEF-CYBMUJFWSA-N	-1	0	382.373	0.833	20	5		GCBDRM
O=C([O-])[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000833769377	604910586	/nfs/dbraw/zinc/91/05/86/604910586.db2.gz	AEVGYJRHDSPOHE-LBPRGKRZSA-N	-1	0	385.760	0.871	20	5		GCBDRM
O=C([O-])CNC(=O)Cc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000833252428	604947566	/nfs/dbraw/zinc/94/75/66/604947566.db2.gz	PIFCKSGSSPIRAY-UHFFFAOYSA-N	-1	0	390.356	0.356	20	5		GCBDRM
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C(=O)NC(N)=O	ZINC000833530173	605017457	/nfs/dbraw/zinc/01/74/57/605017457.db2.gz	BBFZIPQEVAEBQP-SSDOTTSWSA-N	-1	0	385.354	0.902	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000833492011	605267139	/nfs/dbraw/zinc/26/71/39/605267139.db2.gz	AWGZDOFLKJRJAN-JTQLQIEISA-N	-1	0	391.377	0.628	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc([N+](=O)[O-])c1	ZINC000833777653	605272361	/nfs/dbraw/zinc/27/23/61/605272361.db2.gz	AHNRREDZOYLBON-BLLLJJGKSA-N	-1	0	398.393	0.759	20	5		GCBDRM
NC(=O)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000833762334	605389638	/nfs/dbraw/zinc/38/96/38/605389638.db2.gz	KDEGHYSFXXTZSM-UHFFFAOYSA-N	-1	0	379.350	0.870	20	5		GCBDRM
Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CC2	ZINC000833757026	605395704	/nfs/dbraw/zinc/39/57/04/605395704.db2.gz	UHUYFJYQSKSJRB-SECBINFHSA-N	-1	0	381.370	0.486	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC000833708742	605646827	/nfs/dbraw/zinc/64/68/27/605646827.db2.gz	RJVSNTZRYBZHFD-RNCFNFMXSA-N	-1	0	384.316	0.978	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C(=O)[O-])C1	ZINC000833705738	605650913	/nfs/dbraw/zinc/65/09/13/605650913.db2.gz	AITMZPIRCWBYIY-GXFFZTMASA-N	-1	0	396.352	0.847	20	5		GCBDRM
COC(=O)[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C(=O)[O-])C1	ZINC000833705221	605691770	/nfs/dbraw/zinc/69/17/70/605691770.db2.gz	CJPSNWCITUZMJL-GXFFZTMASA-N	-1	0	395.368	0.880	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[nH]n3)cn2C)ccc1[N+](=O)[O-]	ZINC000822211852	606409076	/nfs/dbraw/zinc/40/90/76/606409076.db2.gz	QIYIUEKZAXIFMT-UHFFFAOYSA-N	-1	0	391.369	0.541	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cc(-c2nn[nH]n2)cs1	ZINC000823284824	606470670	/nfs/dbraw/zinc/47/06/70/606470670.db2.gz	KLOANKUZZVWPQO-UHFFFAOYSA-N	-1	0	381.355	0.350	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)c1C	ZINC000822212738	606709643	/nfs/dbraw/zinc/70/96/43/606709643.db2.gz	FOLKQOSOBMPZNL-UHFFFAOYSA-N	-1	0	378.374	0.926	20	5		GCBDRM
COC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000821655918	606731310	/nfs/dbraw/zinc/73/13/10/606731310.db2.gz	UEXAAWGTUDWDBJ-UHFFFAOYSA-N	-1	0	396.385	0.349	20	5		GCBDRM
CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000819803886	606731890	/nfs/dbraw/zinc/73/18/90/606731890.db2.gz	RFZDUGFARONESR-JTQLQIEISA-N	-1	0	395.401	0.064	20	5		GCBDRM
CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000819927901	606733473	/nfs/dbraw/zinc/73/34/73/606733473.db2.gz	ACNTYFVYRGQUNA-UHFFFAOYSA-N	-1	0	398.401	0.785	20	5		GCBDRM
CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@H](C)O1	ZINC000820995733	606734117	/nfs/dbraw/zinc/73/41/17/606734117.db2.gz	WRMGNZKACCXANL-VHSXEESVSA-N	-1	0	382.402	0.963	20	5		GCBDRM
CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@H](C)O1	ZINC000820995732	606734169	/nfs/dbraw/zinc/73/41/69/606734169.db2.gz	WRMGNZKACCXANL-UWVGGRQHSA-N	-1	0	382.402	0.963	20	5		GCBDRM
COC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000821683430	606734605	/nfs/dbraw/zinc/73/46/05/606734605.db2.gz	AKSHSDMXAGDZQP-JTQLQIEISA-N	-1	0	382.402	0.822	20	5		GCBDRM
COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821655283	606736966	/nfs/dbraw/zinc/73/69/66/606736966.db2.gz	IQDCOIAIEUVMEB-SNVBAGLBSA-N	-1	0	396.385	0.491	20	5		GCBDRM
COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000821654077	606736991	/nfs/dbraw/zinc/73/69/91/606736991.db2.gz	SQIZVJUYOPOUNR-AWEZNQCLSA-N	-1	0	396.385	0.349	20	5		GCBDRM
Cn1c(=O)c(-c2nnn[n-]2)c(NCc2cc([N+](=O)[O-])ccc2Cl)n(C)c1=O	ZINC000822600720	606801749	/nfs/dbraw/zinc/80/17/49/606801749.db2.gz	QWFJUJRXQXXDAP-UHFFFAOYSA-N	-1	0	392.763	0.438	20	5		GCBDRM
CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825908399	607853559	/nfs/dbraw/zinc/85/35/59/607853559.db2.gz	HHUJUTZSOVZEOA-MWLCHTKSSA-N	-1	0	382.402	0.556	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2OC)c([N+](=O)[O-])n1	ZINC000825804920	607933367	/nfs/dbraw/zinc/93/33/67/607933367.db2.gz	KTDOVQHEBYEYDE-UHFFFAOYSA-N	-1	0	394.373	0.801	20	5		GCBDRM
C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824677122	607970839	/nfs/dbraw/zinc/97/08/39/607970839.db2.gz	BNNINXPUCMFLSG-VHSXEESVSA-N	-1	0	382.402	0.699	20	5		GCBDRM
C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824677120	607970931	/nfs/dbraw/zinc/97/09/31/607970931.db2.gz	BNNINXPUCMFLSG-NXEZZACHSA-N	-1	0	382.402	0.699	20	5		GCBDRM
CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825486204	608127388	/nfs/dbraw/zinc/12/73/88/608127388.db2.gz	OAXNRXFDIINLDL-RKDXNWHRSA-N	-1	0	398.401	0.641	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3COCC[C@@H]32)c1-c1nnn[n-]1	ZINC000826500086	608303965	/nfs/dbraw/zinc/30/39/65/608303965.db2.gz	KPTGOTUMXZMBBG-MNOVXSKESA-N	-1	0	394.413	0.965	20	5		GCBDRM
CO[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826146442	608425043	/nfs/dbraw/zinc/42/50/43/608425043.db2.gz	WCJBIUHRQNVLGL-KOLCDFICSA-N	-1	0	382.402	0.868	20	5		GCBDRM
CC[C@](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)(C(N)=O)C(C)C	ZINC000825149527	609401560	/nfs/dbraw/zinc/40/15/60/609401560.db2.gz	ZPLPYYSCSUEOFX-CQSZACIVSA-N	-1	0	397.417	0.343	20	5		GCBDRM
Cc1nn(C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(=O)c(-c2nnn[n-]2)c1C	ZINC000826334528	609491150	/nfs/dbraw/zinc/49/11/50/609491150.db2.gz	YSXAJCXVXZEUQL-LLVKDONJSA-N	-1	0	387.356	0.388	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000751173780	639082108	/nfs/dbraw/zinc/08/21/08/639082108.db2.gz	FOYNVPHPQZYUAP-UHFFFAOYSA-N	-1	0	394.203	0.664	20	5		GCBDRM
C[C@@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000841783091	639233974	/nfs/dbraw/zinc/23/39/74/639233974.db2.gz	MKBGZZRSIKFRIX-SNVBAGLBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@]12CCC(=O)N1CCS2	ZINC000732620586	639812813	/nfs/dbraw/zinc/81/28/13/639812813.db2.gz	SCNVBYFOCVKFIB-LLVKDONJSA-N	-1	0	377.425	0.527	20	5		GCBDRM
O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732619248	639813010	/nfs/dbraw/zinc/81/30/10/639813010.db2.gz	QSDAFVTZNKGNCF-UHFFFAOYSA-N	-1	0	375.384	0.390	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@]12CCC(=O)N1CCS2	ZINC000916786157	639835023	/nfs/dbraw/zinc/83/50/23/639835023.db2.gz	NCMYQQQLFXJTKM-CQSZACIVSA-N	-1	0	385.423	0.606	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1	ZINC000917445445	639852037	/nfs/dbraw/zinc/85/20/37/639852037.db2.gz	FSLAQGCIPYCYEP-JTQLQIEISA-N	-1	0	376.412	0.533	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CCN2CCCS2(=O)=O)ccc1[N+](=O)[O-]	ZINC000734738203	640001104	/nfs/dbraw/zinc/00/11/04/640001104.db2.gz	SWJHIAZQJKIOHS-UHFFFAOYSA-N	-1	0	391.427	0.134	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000840788645	640148628	/nfs/dbraw/zinc/14/86/28/640148628.db2.gz	UKGOAJHZJCUUKS-APPZFPTMSA-N	-1	0	384.288	0.822	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)N2C)cc1[N+](=O)[O-]	ZINC000838784743	640191128	/nfs/dbraw/zinc/19/11/28/640191128.db2.gz	TVNCSNSOCWLIOD-SNVBAGLBSA-N	-1	0	375.790	0.982	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(CCS(C)(=O)=O)n1	ZINC000741200941	640222600	/nfs/dbraw/zinc/22/26/00/640222600.db2.gz	KZWRZFJKDXMVDV-UHFFFAOYSA-N	-1	0	388.427	0.945	20	5		GCBDRM
COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C(C)C	ZINC000741442798	640226536	/nfs/dbraw/zinc/22/65/36/640226536.db2.gz	OLOYTDZDJRQVMX-NSHDSACASA-N	-1	0	379.416	0.248	20	5		GCBDRM
CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000744243840	640266246	/nfs/dbraw/zinc/26/62/46/640266246.db2.gz	WOHUKFLAIUXTBA-VIFPVBQESA-N	-1	0	390.443	0.574	20	5		GCBDRM
O=C([N-]S(=O)(=O)CC(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000744267469	640267375	/nfs/dbraw/zinc/26/73/75/640267375.db2.gz	GPLQQIHZXRTRII-UHFFFAOYSA-N	-1	0	379.276	0.797	20	5		GCBDRM
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cn2C)s1	ZINC000746427990	640293221	/nfs/dbraw/zinc/29/32/21/640293221.db2.gz	GPXGBTNSCWPVEJ-UHFFFAOYSA-N	-1	0	386.411	0.750	20	5		GCBDRM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)s1	ZINC000746444408	640294410	/nfs/dbraw/zinc/29/44/10/640294410.db2.gz	QCZXLXXOHZBILP-UHFFFAOYSA-N	-1	0	386.411	0.782	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21	ZINC000746450594	640294821	/nfs/dbraw/zinc/29/48/21/640294821.db2.gz	QRKXPUQUWFHKGU-UHFFFAOYSA-N	-1	0	384.761	0.598	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1	ZINC000747285223	640308557	/nfs/dbraw/zinc/30/85/57/640308557.db2.gz	CWHBKTAPRDZQMJ-UHFFFAOYSA-N	-1	0	379.276	0.710	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000750724796	640365806	/nfs/dbraw/zinc/36/58/06/640365806.db2.gz	IVKFCQZWTPEOTH-UHFFFAOYSA-N	-1	0	383.304	0.920	20	5		GCBDRM
COc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1SC	ZINC000750728002	640365814	/nfs/dbraw/zinc/36/58/14/640365814.db2.gz	HLOFAGPYEXERJT-UHFFFAOYSA-N	-1	0	391.427	0.632	20	5		GCBDRM
CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)s1	ZINC000750756036	640366671	/nfs/dbraw/zinc/36/66/71/640366671.db2.gz	QCYXDLNCOWCSNH-UHFFFAOYSA-N	-1	0	384.395	0.806	20	5		GCBDRM
CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000754670910	640457404	/nfs/dbraw/zinc/45/74/04/640457404.db2.gz	CJSHSVPDWCUWQM-LURJTMIESA-N	-1	0	378.794	0.550	20	5		GCBDRM
CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000754670914	640457457	/nfs/dbraw/zinc/45/74/57/640457457.db2.gz	CJSHSVPDWCUWQM-ZCFIWIBFSA-N	-1	0	378.794	0.550	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F	ZINC000755740461	640474385	/nfs/dbraw/zinc/47/43/85/640474385.db2.gz	MUTBGJZQTVDWFH-SNVBAGLBSA-N	-1	0	378.378	0.946	20	5		GCBDRM
COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000759179328	640544432	/nfs/dbraw/zinc/54/44/32/640544432.db2.gz	BYWGCYAKCGXONW-UHFFFAOYSA-N	-1	0	393.805	0.466	20	5		GCBDRM
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000761431599	640593843	/nfs/dbraw/zinc/59/38/43/640593843.db2.gz	KAORALNACYLYIP-JTQLQIEISA-N	-1	0	376.387	0.850	20	5		GCBDRM
NC(=O)CS(=O)(=O)[N-]C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	ZINC000766923882	640709793	/nfs/dbraw/zinc/70/97/93/640709793.db2.gz	JOSRWEICVLQLLY-UHFFFAOYSA-N	-1	0	385.276	0.081	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1=O	ZINC000767838582	640736165	/nfs/dbraw/zinc/73/61/65/640736165.db2.gz	ORYWMVQNUKPDKO-UHFFFAOYSA-N	-1	0	393.175	0.445	20	5		GCBDRM
C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770773531	640814649	/nfs/dbraw/zinc/81/46/49/640814649.db2.gz	PKTINOGHBLDZAC-ZETCQYMHSA-N	-1	0	389.390	0.848	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@]12CCC(=O)N1CCS2	ZINC000770772499	640814689	/nfs/dbraw/zinc/81/46/89/640814689.db2.gz	KQJMPSYQPLNIPU-ZDUSSCGKSA-N	-1	0	389.386	0.604	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000772673254	640847051	/nfs/dbraw/zinc/84/70/51/640847051.db2.gz	JGSTVVOJZJHWPD-UHFFFAOYSA-N	-1	0	375.403	0.140	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCSC1	ZINC000773987575	640873376	/nfs/dbraw/zinc/87/33/76/640873376.db2.gz	MAGMCASDUAKACV-SNVBAGLBSA-N	-1	0	377.419	0.976	20	5		GCBDRM
COCCCOCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000776084890	641088584	/nfs/dbraw/zinc/08/85/84/641088584.db2.gz	ZSPMTIHHAAGFOM-UHFFFAOYSA-N	-1	0	377.331	0.361	20	5		GCBDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776438691	641096306	/nfs/dbraw/zinc/09/63/06/641096306.db2.gz	YOSJARIRBVBIKU-SSDLBLMSSA-N	-1	0	383.176	0.470	20	5		GCBDRM
Cn1cc(C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000776548823	641101835	/nfs/dbraw/zinc/10/18/35/641101835.db2.gz	MTPUUONZOVDDQO-SNVBAGLBSA-N	-1	0	388.789	0.956	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000776628559	641108322	/nfs/dbraw/zinc/10/83/22/641108322.db2.gz	VERBYDLZGHJSRT-UHFFFAOYSA-N	-1	0	389.777	0.711	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1	ZINC000776716145	641114391	/nfs/dbraw/zinc/11/43/91/641114391.db2.gz	SSMNWIZKPWSIMA-BDAKNGLRSA-N	-1	0	389.411	0.352	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CN2CCOCC2)cc1[N+](=O)[O-]	ZINC000778594218	641164173	/nfs/dbraw/zinc/16/41/73/641164173.db2.gz	ILDISTJGHUJUFX-UHFFFAOYSA-N	-1	0	377.806	0.694	20	5		GCBDRM
C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000781836253	641238336	/nfs/dbraw/zinc/23/83/36/641238336.db2.gz	FIXJSOWRWPNSLF-SSDOTTSWSA-N	-1	0	389.390	0.848	20	5		GCBDRM
O=C1NCCCN1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000784723194	641292162	/nfs/dbraw/zinc/29/21/62/641292162.db2.gz	BXRFCHJITKNQHA-UHFFFAOYSA-N	-1	0	379.192	0.966	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000784835662	641295213	/nfs/dbraw/zinc/29/52/13/641295213.db2.gz	RIJXUICSKMUBCK-UHFFFAOYSA-N	-1	0	393.443	0.380	20	5		GCBDRM
CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000784883631	641296511	/nfs/dbraw/zinc/29/65/11/641296511.db2.gz	OFAXIHYSWAJHBT-QMMMGPOBSA-N	-1	0	376.778	0.256	20	5		GCBDRM
CC[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000785082444	641302479	/nfs/dbraw/zinc/30/24/79/641302479.db2.gz	WWCGLLKPYIFCLS-JTQLQIEISA-N	-1	0	393.443	0.460	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1	ZINC000789484701	641390682	/nfs/dbraw/zinc/39/06/82/641390682.db2.gz	SYJVMFCOBUCHRT-JTQLQIEISA-N	-1	0	376.412	0.533	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)cc([N+](=O)[O-])c1C	ZINC000791763454	641436831	/nfs/dbraw/zinc/43/68/31/641436831.db2.gz	RGZBJNMSIXLMHA-CYBMUJFWSA-N	-1	0	390.439	0.984	20	5		GCBDRM
NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1	ZINC000795304179	641514271	/nfs/dbraw/zinc/51/42/71/641514271.db2.gz	KGKFLAGAOSCKBD-UHFFFAOYSA-N	-1	0	377.741	0.870	20	5		GCBDRM
NC(=O)c1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)on1	ZINC000795881509	641528014	/nfs/dbraw/zinc/52/80/14/641528014.db2.gz	NIBXPUFYPUYJRP-UHFFFAOYSA-N	-1	0	378.725	0.953	20	5		GCBDRM
CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795925241	641530345	/nfs/dbraw/zinc/53/03/45/641530345.db2.gz	OOSOVGLUIKFIKL-GFCCVEGCSA-N	-1	0	384.769	0.980	20	5		GCBDRM
CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795925242	641530413	/nfs/dbraw/zinc/53/04/13/641530413.db2.gz	OOSOVGLUIKFIKL-LBPRGKRZSA-N	-1	0	384.769	0.980	20	5		GCBDRM
Cn1nnc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])n1	ZINC000795958469	641531768	/nfs/dbraw/zinc/53/17/68/641531768.db2.gz	NZQYLBXESFUCDN-UHFFFAOYSA-N	-1	0	395.170	0.498	20	5		GCBDRM
O=C(CC1OCCO1)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000797149272	641557339	/nfs/dbraw/zinc/55/73/39/641557339.db2.gz	XWEJJYDLQSOALB-UHFFFAOYSA-N	-1	0	395.187	0.925	20	5		GCBDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000797301269	641565485	/nfs/dbraw/zinc/56/54/85/641565485.db2.gz	ZNGLQFFZRFXDIV-SSDOTTSWSA-N	-1	0	376.343	0.233	20	5		GCBDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CCC(=O)NC1	ZINC000798833698	641595777	/nfs/dbraw/zinc/59/57/77/641595777.db2.gz	KYZDJJLHYFHVFC-ZDUSSCGKSA-N	-1	0	390.805	0.552	20	5		GCBDRM
O=C(C[C@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000815896586	641836139	/nfs/dbraw/zinc/83/61/39/641836139.db2.gz	LNVAHJDJKMDLIK-GFCCVEGCSA-N	-1	0	390.439	0.756	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCS(=O)(=O)C1	ZINC000816041021	641841480	/nfs/dbraw/zinc/84/14/80/641841480.db2.gz	BQYOEYATWPXASV-LLVKDONJSA-N	-1	0	390.439	0.923	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)c(C(F)(F)F)n1	ZINC000816293681	641849754	/nfs/dbraw/zinc/84/97/54/641849754.db2.gz	QNVWKYFKMSVRBT-UHFFFAOYSA-N	-1	0	381.292	0.804	20	5		GCBDRM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(I)cc([N+](=O)[O-])c1	ZINC000816733012	641864307	/nfs/dbraw/zinc/86/43/07/641864307.db2.gz	GAZVZRJFFOHNOZ-UHFFFAOYSA-N	-1	0	391.081	0.586	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	ZINC000817871224	641891032	/nfs/dbraw/zinc/89/10/32/641891032.db2.gz	AJGLJIAXXUASNP-LLVKDONJSA-N	-1	0	394.764	0.640	20	5		GCBDRM
O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000819095073	641928369	/nfs/dbraw/zinc/92/83/69/641928369.db2.gz	SRCWGONTJMXTTP-LLVKDONJSA-N	-1	0	384.288	0.824	20	5		GCBDRM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000821583792	641995781	/nfs/dbraw/zinc/99/57/81/641995781.db2.gz	HWONNQRZFMFLPN-LLVKDONJSA-N	-1	0	376.391	0.359	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2nccs2)c1-c1nnn[n-]1	ZINC000826500421	642059156	/nfs/dbraw/zinc/05/91/56/642059156.db2.gz	YAFWHKSWPYQJRH-UHFFFAOYSA-N	-1	0	381.399	0.752	20	5		GCBDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000802084207	642143315	/nfs/dbraw/zinc/14/33/15/642143315.db2.gz	QPKGYHHIVINSQA-QMMMGPOBSA-N	-1	0	380.400	0.093	20	5		GCBDRM
CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000837291339	642270047	/nfs/dbraw/zinc/27/00/47/642270047.db2.gz	LNLSUYLISWFEOS-ZETCQYMHSA-N	-1	0	395.415	0.913	20	5		GCBDRM
O=C([O-])c1cn(CCCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)nn1	ZINC000840797623	642286157	/nfs/dbraw/zinc/28/61/57/642286157.db2.gz	LKVZEGHSDCAEPC-UHFFFAOYSA-N	-1	0	375.388	0.705	20	5		GCBDRM
COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nn1	ZINC000842279440	642328824	/nfs/dbraw/zinc/32/88/24/642328824.db2.gz	ODUDJKZEMNPCRQ-UHFFFAOYSA-N	-1	0	389.777	0.605	20	5		GCBDRM
COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000842329000	642330573	/nfs/dbraw/zinc/33/05/73/642330573.db2.gz	RKWBSRGJZFXSIM-NXEZZACHSA-N	-1	0	378.790	0.835	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1COCCO1	ZINC000842452937	642336419	/nfs/dbraw/zinc/33/64/19/642336419.db2.gz	ZJTLJRMWRWOFGK-SECBINFHSA-N	-1	0	384.288	0.834	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1(n2cnnn2)CCCCC1	ZINC000845469362	642441974	/nfs/dbraw/zinc/44/19/74/642441974.db2.gz	ZLTLCTAZMWCXPQ-UHFFFAOYSA-N	-1	0	386.415	0.807	20	5		GCBDRM
CCO[N-]C(=O)CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000846492067	642488067	/nfs/dbraw/zinc/48/80/67/642488067.db2.gz	VPWFZGQQACXOEJ-UHFFFAOYSA-N	-1	0	389.206	0.977	20	5		GCBDRM
C[C@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CS2	ZINC000847892872	642524498	/nfs/dbraw/zinc/52/44/98/642524498.db2.gz	IUHZDEFNLUZNIP-ZANVPECISA-N	-1	0	386.411	0.249	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1	ZINC000847892951	642524558	/nfs/dbraw/zinc/52/45/58/642524558.db2.gz	MGCDMNLKHFGJNY-UHFFFAOYSA-N	-1	0	377.400	0.010	20	5		GCBDRM
CCC(=O)N[C@@H](CCSC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847892665	642524623	/nfs/dbraw/zinc/52/46/23/642524623.db2.gz	FUEUBOPFPXQPKW-JTQLQIEISA-N	-1	0	390.443	0.443	20	5		GCBDRM
CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1	ZINC000848957703	642568462	/nfs/dbraw/zinc/56/84/62/642568462.db2.gz	UPSRHLNDGXJVAX-UHFFFAOYSA-N	-1	0	382.420	0.253	20	5		GCBDRM
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CC(F)F	ZINC000851360438	642717910	/nfs/dbraw/zinc/71/79/10/642717910.db2.gz	UVTKLPPMARBPNV-UHFFFAOYSA-N	-1	0	380.329	0.105	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)[N-]S(=O)(=O)CC(F)F)c([N+](=O)[O-])c1	ZINC000851359377	642718025	/nfs/dbraw/zinc/71/80/25/642718025.db2.gz	KLUBEMFSSHHGPO-UHFFFAOYSA-N	-1	0	383.354	0.497	20	5		GCBDRM
O=C([N-]S(=O)(=O)CC(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000851360420	642718031	/nfs/dbraw/zinc/71/80/31/642718031.db2.gz	DZGYFKBPDMTETL-ZETCQYMHSA-N	-1	0	397.381	0.972	20	5		GCBDRM
COCC(COC)S(=O)(=O)[N-]C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000851499422	642723720	/nfs/dbraw/zinc/72/37/20/642723720.db2.gz	RECOPEQGOQYUGM-UHFFFAOYSA-N	-1	0	375.403	0.504	20	5		GCBDRM
C[C@@H](CC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000858929576	642972232	/nfs/dbraw/zinc/97/22/32/642972232.db2.gz	CQHBBPKGJXSWIN-VIFPVBQESA-N	-1	0	377.423	0.910	20	5		GCBDRM
CC[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000859176930	642985180	/nfs/dbraw/zinc/98/51/80/642985180.db2.gz	YHGKUTUUUDBZCU-VIFPVBQESA-N	-1	0	377.423	0.910	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cn(C[C@H]2CCOC2)nn1	ZINC000860541061	643036663	/nfs/dbraw/zinc/03/66/63/643036663.db2.gz	QZFGZWGMXZNYJK-MRVPVSSYSA-N	-1	0	387.399	0.403	20	5		GCBDRM
CCOC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC000274506795	1184081021	/nfs/dbraw/zinc/08/10/21/1184081021.db2.gz	MCJOGTHLVAJOJX-SNVBAGLBSA-N	-1	0	387.370	0.802	20	5		GCBDRM
O=C(Cn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1)N1CCOCC1	ZINC000274728400	1184229929	/nfs/dbraw/zinc/22/99/29/1184229929.db2.gz	PTNLBODMRLMKHI-UHFFFAOYSA-N	-1	0	375.341	0.608	20	5		GCBDRM
C[C@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1nnn[n-]1	ZINC000274777431	1184297210	/nfs/dbraw/zinc/29/72/10/1184297210.db2.gz	NFSTUWDFYMYUEG-LLVKDONJSA-N	-1	0	375.389	0.820	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cc1[N+](=O)[O-]	ZINC000274956822	1184438490	/nfs/dbraw/zinc/43/84/90/1184438490.db2.gz	AXGXXYDWCXGQGA-NWDGAFQWSA-N	-1	0	397.409	0.599	20	5		GCBDRM
COC(=O)C1CCN(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])CC1	ZINC000274952462	1184441864	/nfs/dbraw/zinc/44/18/64/1184441864.db2.gz	GLTZYOMJTRVQOL-UHFFFAOYSA-N	-1	0	387.370	0.835	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1C	ZINC000274968214	1184442453	/nfs/dbraw/zinc/44/24/53/1184442453.db2.gz	KASKFWBULFJAIC-NSHDSACASA-N	-1	0	385.398	0.423	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000275030328	1184467763	/nfs/dbraw/zinc/46/77/63/1184467763.db2.gz	UAYZBGCJQVXPQT-NSHDSACASA-N	-1	0	391.377	0.106	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1	ZINC000275109159	1184513940	/nfs/dbraw/zinc/51/39/40/1184513940.db2.gz	MQEDFVBKFPEOHT-CMPLNLGQSA-N	-1	0	383.382	0.291	20	5		GCBDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000275110361	1184517177	/nfs/dbraw/zinc/51/71/77/1184517177.db2.gz	MSMYPHBPIIBBHK-VIFPVBQESA-N	-1	0	390.370	0.492	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275278489	1184580153	/nfs/dbraw/zinc/58/01/53/1184580153.db2.gz	NZJUJNKRCMXOHC-LLVKDONJSA-N	-1	0	384.370	0.311	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547872874	1184728059	/nfs/dbraw/zinc/72/80/59/1184728059.db2.gz	NJIVHEFBINWCOQ-LLVKDONJSA-N	-1	0	384.370	0.491	20	5		GCBDRM
COc1cc(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000547899263	1184738725	/nfs/dbraw/zinc/73/87/25/1184738725.db2.gz	XYJJEJYVVCQXQA-NSHDSACASA-N	-1	0	398.397	0.559	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1=O	ZINC000748117646	1184785031	/nfs/dbraw/zinc/78/50/31/1184785031.db2.gz	RAXLONTWTLDUIK-UHFFFAOYSA-N	-1	0	382.310	0.320	20	5		GCBDRM
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000471458508	1184873583	/nfs/dbraw/zinc/87/35/83/1184873583.db2.gz	IQLTYHSVTVAFCS-LRDDRELGSA-N	-1	0	399.425	0.398	20	5		GCBDRM
CCC[C@@]1(C)C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000275779740	1185049538	/nfs/dbraw/zinc/04/95/38/1185049538.db2.gz	ZSSFNMCSUBQIGN-HNNXBMFYSA-N	-1	0	385.398	0.972	20	5		GCBDRM
Cc1c(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000262168115	1185382954	/nfs/dbraw/zinc/38/29/54/1185382954.db2.gz	DQBROOBGEWDUMD-RNCFNFMXSA-N	-1	0	375.341	0.798	20	5		GCBDRM
C[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C(=O)[O-])O1	ZINC000262150591	1185383519	/nfs/dbraw/zinc/38/35/19/1185383519.db2.gz	LOFCMSMRBSSIHD-LDYMZIIASA-N	-1	0	385.760	0.679	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1(c2nnn[n-]2)CC1	ZINC000477036725	1185549064	/nfs/dbraw/zinc/54/90/64/1185549064.db2.gz	UOYZZWOGMWBHHU-QMMMGPOBSA-N	-1	0	395.401	0.358	20	5		GCBDRM
O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1	ZINC000262246991	1185710674	/nfs/dbraw/zinc/71/06/74/1185710674.db2.gz	BCEOAUXSHOKLBV-UONOGXRCSA-N	-1	0	377.353	0.511	20	5		GCBDRM
NC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1	ZINC000548205254	1185882295	/nfs/dbraw/zinc/88/22/95/1185882295.db2.gz	OCJHTWZNHBZGBJ-AWEZNQCLSA-N	-1	0	393.377	0.668	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000548213813	1185888232	/nfs/dbraw/zinc/88/82/32/1185888232.db2.gz	KPDLDGRCOVHHIT-LBPRGKRZSA-N	-1	0	382.398	0.859	20	5		GCBDRM
C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000276588621	1185917704	/nfs/dbraw/zinc/91/77/04/1185917704.db2.gz	MRMKZECIFCPDKU-INIZCTEOSA-N	-1	0	392.368	0.855	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c(C)c([N+](=O)[O-])c1	ZINC000276969136	1186183532	/nfs/dbraw/zinc/18/35/32/1186183532.db2.gz	XWAXFWYGRCJMQV-JTQLQIEISA-N	-1	0	381.341	0.713	20	5		GCBDRM
Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1[O-]	ZINC000610968305	1186267662	/nfs/dbraw/zinc/26/76/62/1186267662.db2.gz	UBQZUSMVZZGMRX-UHFFFAOYSA-N	-1	0	395.397	0.479	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277222907	1186297789	/nfs/dbraw/zinc/29/77/89/1186297789.db2.gz	IDJGPLMGOVBOKL-SECBINFHSA-N	-1	0	394.333	0.427	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c1[N+](=O)[O-]	ZINC000277242556	1186302912	/nfs/dbraw/zinc/30/29/12/1186302912.db2.gz	KSGKCHHGRUCLSY-UHFFFAOYSA-N	-1	0	382.402	0.692	20	5		GCBDRM
Cc1cnn(C[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000548531641	1186303212	/nfs/dbraw/zinc/30/32/12/1186303212.db2.gz	ZUJMBEPMEFFVMX-CYBMUJFWSA-N	-1	0	382.398	0.715	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2OC)c([N+](=O)[O-])n1	ZINC000548533543	1186303745	/nfs/dbraw/zinc/30/37/45/1186303745.db2.gz	JSOBGIPDKOUFSY-LBPRGKRZSA-N	-1	0	384.370	0.924	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@H](Cn2nc(C)cc2C)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000548537804	1186305999	/nfs/dbraw/zinc/30/59/99/1186305999.db2.gz	FZKQKQXSULZKEW-GFCCVEGCSA-N	-1	0	398.397	0.848	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1	ZINC000548536641	1186307577	/nfs/dbraw/zinc/30/75/77/1186307577.db2.gz	MJCFODCLUIUQIF-ISVAXAHUSA-N	-1	0	388.354	0.134	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000548536756	1186307721	/nfs/dbraw/zinc/30/77/21/1186307721.db2.gz	RZVASFKKJFGUPR-NSHDSACASA-N	-1	0	384.370	0.540	20	5		GCBDRM
CCOC(=O)c1cc(S(=O)(=O)N(CCO)CC(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000548566788	1186321042	/nfs/dbraw/zinc/32/10/42/1186321042.db2.gz	OZUXIJVFJYJQEO-UHFFFAOYSA-N	-1	0	390.370	0.148	20	5		GCBDRM
COc1ccc(CSCC(=O)NCc2cn(CC(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000262853357	1186325464	/nfs/dbraw/zinc/32/54/64/1186325464.db2.gz	XMJNSAIWTGNTAG-UHFFFAOYSA-N	-1	0	395.397	0.829	20	5		GCBDRM
C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@H](C(=O)[O-])O1	ZINC000262853141	1186326190	/nfs/dbraw/zinc/32/61/90/1186326190.db2.gz	CDISUZFVMBFWGL-BXUZGUMPSA-N	-1	0	379.369	0.746	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000277323211	1186332518	/nfs/dbraw/zinc/33/25/18/1186332518.db2.gz	CCNXSQXKLJLFSQ-UHFFFAOYSA-N	-1	0	384.414	0.391	20	5		GCBDRM
C[C@@H](CN(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nnn[n-]1	ZINC000478589782	1186522705	/nfs/dbraw/zinc/52/27/05/1186522705.db2.gz	FJSSAUHEPQHQNS-QMMMGPOBSA-N	-1	0	381.780	0.753	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1=O	ZINC000478992355	1186547389	/nfs/dbraw/zinc/54/73/89/1186547389.db2.gz	AZBYGQMMEFOABP-GXFFZTMASA-N	-1	0	382.348	0.756	20	5		GCBDRM
CCCc1n[nH]c(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1[N+](=O)[O-]	ZINC000479001701	1186548355	/nfs/dbraw/zinc/54/83/55/1186548355.db2.gz	PGKAHZCLMHBSPW-CMPLNLGQSA-N	-1	0	381.389	0.710	20	5		GCBDRM
O=C([O-])c1coc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1	ZINC000582549394	1186562265	/nfs/dbraw/zinc/56/22/65/1186562265.db2.gz	YPYOLABDKKXNCE-UHFFFAOYSA-N	-1	0	382.354	0.792	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](Nc3ncccn3)C2)c([N+](=O)[O-])c1	ZINC000563627211	1186823105	/nfs/dbraw/zinc/82/31/05/1186823105.db2.gz	YYOHDXNYDKWXKK-LLVKDONJSA-N	-1	0	393.381	0.958	20	5		GCBDRM
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000785212013	1187276067	/nfs/dbraw/zinc/27/60/67/1187276067.db2.gz	KQXCZCGIEFZREI-UHFFFAOYSA-N	-1	0	384.418	0.766	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)ccc1[N+](=O)[O-]	ZINC000579959156	1187652260	/nfs/dbraw/zinc/65/22/60/1187652260.db2.gz	GNWOPZQDYMCYNZ-DGCLKSJQSA-N	-1	0	383.382	0.725	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000580024706	1187658266	/nfs/dbraw/zinc/65/82/66/1187658266.db2.gz	VQWUXAKDIKVILY-JTQLQIEISA-N	-1	0	388.333	0.440	20	5		GCBDRM
NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)c1	ZINC000580197301	1187675578	/nfs/dbraw/zinc/67/55/78/1187675578.db2.gz	YLWKTVAMOSLIHL-GJZGRUSLSA-N	-1	0	399.425	0.948	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)cc1[N+](=O)[O-]	ZINC000066585199	1187743421	/nfs/dbraw/zinc/74/34/21/1187743421.db2.gz	HYDJKCIBUPQNBE-UHFFFAOYSA-N	-1	0	383.386	0.689	20	5		GCBDRM
CCC[C@]1(C)C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414341814	1187841689	/nfs/dbraw/zinc/84/16/89/1187841689.db2.gz	LUMDXLMLXAZPDJ-OAHLLOKOSA-N	-1	0	385.398	0.972	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(Cn3cncn3)CC2)c1	ZINC000414345129	1187843631	/nfs/dbraw/zinc/84/36/31/1187843631.db2.gz	OLZFNLLPEHOAPF-UHFFFAOYSA-N	-1	0	395.397	0.985	20	5		GCBDRM
COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)n1	ZINC000544098522	1187941595	/nfs/dbraw/zinc/94/15/95/1187941595.db2.gz	IRLFDSPPARARHX-UHFFFAOYSA-N	-1	0	398.353	0.552	20	5		GCBDRM
CCOC(=O)c1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc([N+](=O)[O-])c1	ZINC000377600416	1188086008	/nfs/dbraw/zinc/08/60/08/1188086008.db2.gz	MOPIDWKIIFBOGC-GFCCVEGCSA-N	-1	0	376.329	0.498	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1	ZINC000417449867	1189663831	/nfs/dbraw/zinc/66/38/31/1189663831.db2.gz	YQYZIRGGAMKDRJ-BXUZGUMPSA-N	-1	0	399.425	0.892	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O	ZINC000417445162	1189665863	/nfs/dbraw/zinc/66/58/63/1189665863.db2.gz	FRZSNNNNCQFVKZ-OLZOCXBDSA-N	-1	0	385.398	0.583	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1[N+](=O)[O-]	ZINC000417448833	1189666971	/nfs/dbraw/zinc/66/69/71/1189666971.db2.gz	WOBLMAGVXMPQBP-TZMCWYRMSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1[N+](=O)[O-]	ZINC000417448832	1189667160	/nfs/dbraw/zinc/66/71/60/1189667160.db2.gz	WOBLMAGVXMPQBP-OCCSQVGLSA-N	-1	0	399.425	0.892	20	5		GCBDRM
COc1cc(OCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000262284086	1193944046	/nfs/dbraw/zinc/94/40/46/1193944046.db2.gz	XFRNPVULUMMOLL-JTQLQIEISA-N	-1	0	383.357	0.420	20	5		GCBDRM
COc1cc(OCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000262284092	1193944096	/nfs/dbraw/zinc/94/40/96/1193944096.db2.gz	XFRNPVULUMMOLL-SNVBAGLBSA-N	-1	0	383.357	0.420	20	5		GCBDRM
O=[N+]([O-])c1ccc(S(=O)(=O)NCCN=c2[n-]c(C3CCOCC3)no2)cc1	ZINC000413071916	1194031579	/nfs/dbraw/zinc/03/15/79/1194031579.db2.gz	KGMCOVGDEIWIPI-UHFFFAOYSA-N	-1	0	397.413	0.684	20	5		GCBDRM
O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C2	ZINC000420542405	1194234443	/nfs/dbraw/zinc/23/44/43/1194234443.db2.gz	KRIIHGIZBRHTFE-SCLBCKFNSA-N	-1	0	375.381	0.967	20	5		GCBDRM
CCCN1C[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1=O	ZINC000421810454	1194365919	/nfs/dbraw/zinc/36/59/19/1194365919.db2.gz	FJAOMNHXARVNNT-JTQLQIEISA-N	-1	0	385.398	0.830	20	5		GCBDRM
C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422579430	1194671451	/nfs/dbraw/zinc/67/14/51/1194671451.db2.gz	HIODKIZBYYNHRG-BXUZGUMPSA-N	-1	0	399.425	0.975	20	5		GCBDRM
Cc1c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000422582111	1194672308	/nfs/dbraw/zinc/67/23/08/1194672308.db2.gz	SXCHPPNENAZQRE-WPRPVWTQSA-N	-1	0	385.398	0.876	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)C(=O)[O-]	ZINC000422668401	1194685465	/nfs/dbraw/zinc/68/54/65/1194685465.db2.gz	DKMCUCVAGAXKBG-JTQLQIEISA-N	-1	0	380.357	0.280	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O	ZINC000422679778	1194688663	/nfs/dbraw/zinc/68/86/63/1194688663.db2.gz	WLXAVQKPSHILCU-CHWSQXEVSA-N	-1	0	392.368	0.360	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000422693344	1194692361	/nfs/dbraw/zinc/69/23/61/1194692361.db2.gz	VSNBWYXNOLPCIM-MRVPVSSYSA-N	-1	0	381.341	0.807	20	5		GCBDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC000422712893	1194693296	/nfs/dbraw/zinc/69/32/96/1194693296.db2.gz	OWAWHRJFZFRQQN-LBPRGKRZSA-N	-1	0	378.385	0.423	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000422719645	1194694128	/nfs/dbraw/zinc/69/41/28/1194694128.db2.gz	MATOUHWQXNGTJM-ZJUUUORDSA-N	-1	0	389.368	0.657	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(CN3CCOCC3)n2)c([N+](=O)[O-])n1	ZINC000504506715	1194796125	/nfs/dbraw/zinc/79/61/25/1194796125.db2.gz	DDSJRKBWNMMHEB-UHFFFAOYSA-N	-1	0	396.429	0.839	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCS1(=O)=O	ZINC000424231128	1194806352	/nfs/dbraw/zinc/80/63/52/1194806352.db2.gz	APMLYZCBXIXQSC-GFCCVEGCSA-N	-1	0	379.350	0.467	20	5		GCBDRM
Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000424250709	1194806779	/nfs/dbraw/zinc/80/67/79/1194806779.db2.gz	JIYUAHXKCUIVFI-AMIZOPFISA-N	-1	0	385.398	0.876	20	5		GCBDRM
C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-]	ZINC000424244173	1194807488	/nfs/dbraw/zinc/80/74/88/1194807488.db2.gz	JDQXGQCDXICHJA-QMTHXVAHSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000514675121	1194893974	/nfs/dbraw/zinc/89/39/74/1194893974.db2.gz	JXTKTYZNPBZUBM-JTQLQIEISA-N	-1	0	384.776	0.421	20	5		GCBDRM
COc1ccc(CC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1[N+](=O)[O-]	ZINC000514822636	1194915293	/nfs/dbraw/zinc/91/52/93/1194915293.db2.gz	ZCJDIHYGKFCHHX-WBMJQRKESA-N	-1	0	393.396	0.972	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1	ZINC000515203368	1194957155	/nfs/dbraw/zinc/95/71/55/1194957155.db2.gz	QALDJYQZHXZAMK-LSDHHAIUSA-N	-1	0	380.378	0.930	20	5		GCBDRM
O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436601026	1195017942	/nfs/dbraw/zinc/01/79/42/1195017942.db2.gz	BDPSGPJTMHWPGQ-UHFFFAOYSA-N	-1	0	380.378	0.996	20	5		GCBDRM
Cc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000436616280	1195019430	/nfs/dbraw/zinc/01/94/30/1195019430.db2.gz	DLLNJJDUTUTOSA-UHFFFAOYSA-N	-1	0	385.336	0.807	20	5		GCBDRM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000436860235	1195043053	/nfs/dbraw/zinc/04/30/53/1195043053.db2.gz	NDFIXDNSPSYLHS-UHFFFAOYSA-N	-1	0	392.393	0.842	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436922303	1195047585	/nfs/dbraw/zinc/04/75/85/1195047585.db2.gz	MRDIAAMSAZAIGF-LBPRGKRZSA-N	-1	0	386.430	0.691	20	5		GCBDRM
COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1S(N)(=O)=O	ZINC000436939776	1195049177	/nfs/dbraw/zinc/04/91/77/1195049177.db2.gz	QXHMAVNYYIFXGC-UHFFFAOYSA-N	-1	0	381.366	0.886	20	5		GCBDRM
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000436967474	1195050790	/nfs/dbraw/zinc/05/07/90/1195050790.db2.gz	STDKJJLLADOUEY-ZDUSSCGKSA-N	-1	0	392.412	0.306	20	5		GCBDRM
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000436961212	1195051596	/nfs/dbraw/zinc/05/15/96/1195051596.db2.gz	ASSJMXRELNIYGZ-CYBMUJFWSA-N	-1	0	394.428	0.599	20	5		GCBDRM
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000436961216	1195051740	/nfs/dbraw/zinc/05/17/40/1195051740.db2.gz	ASSJMXRELNIYGZ-ZDUSSCGKSA-N	-1	0	394.428	0.599	20	5		GCBDRM
CN1CCN(C(=O)Cn2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cn2)CC1	ZINC000436986371	1195055820	/nfs/dbraw/zinc/05/58/20/1195055820.db2.gz	FRIWTKVPTJPOLH-UHFFFAOYSA-N	-1	0	388.384	0.523	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NCC2(N3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000516573828	1195069856	/nfs/dbraw/zinc/06/98/56/1195069856.db2.gz	FKIBIXXGVNVVHF-UHFFFAOYSA-N	-1	0	385.398	0.436	20	5		GCBDRM
O=c1nc2[nH]cc(S(=O)(=O)NCc3ccc([N+](=O)[O-])cc3)cc-2c(=O)[n-]1	ZINC000437245741	1195087757	/nfs/dbraw/zinc/08/77/57/1195087757.db2.gz	RMNNVJWXGADEAD-UHFFFAOYSA-N	-1	0	377.338	0.823	20	5		GCBDRM
O=C([O-])c1cnc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cn1	ZINC000439899659	1195365166	/nfs/dbraw/zinc/36/51/66/1195365166.db2.gz	WBQLCJBTIWEDRJ-UHFFFAOYSA-N	-1	0	391.365	0.743	20	5		GCBDRM
COC(=O)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS(=O)(=O)CC1	ZINC000440134150	1195388521	/nfs/dbraw/zinc/38/85/21/1195388521.db2.gz	RMMDGDZUSHVCII-UHFFFAOYSA-N	-1	0	386.382	0.541	20	5		GCBDRM
O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000519631750	1195559835	/nfs/dbraw/zinc/55/98/35/1195559835.db2.gz	OZXVRZZCFYUMJJ-UHFFFAOYSA-N	-1	0	399.303	0.483	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000281304239	1196287255	/nfs/dbraw/zinc/28/72/55/1196287255.db2.gz	HFTDFIDTOPXNLL-NSHDSACASA-N	-1	0	395.368	0.711	20	5		GCBDRM
Cc1c(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000281763870	1196329809	/nfs/dbraw/zinc/32/98/09/1196329809.db2.gz	FTPWQGCWHDVPLA-MGPLVRAMSA-N	-1	0	397.409	0.878	20	5		GCBDRM
CN(C)C(=O)O[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1	ZINC000840894965	1196465756	/nfs/dbraw/zinc/46/57/56/1196465756.db2.gz	ZAUKIQJTUMQMBE-JTQLQIEISA-N	-1	0	387.370	0.754	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2nc(=O)o[n-]2)cc1OC	ZINC000447628279	1196735163	/nfs/dbraw/zinc/73/51/63/1196735163.db2.gz	DSAJCZKXRMXJPT-UHFFFAOYSA-N	-1	0	382.329	0.277	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCc1nc(=O)o[n-]1	ZINC000447638189	1196738260	/nfs/dbraw/zinc/73/82/60/1196738260.db2.gz	VWPVSUBSLAFNKX-MRVPVSSYSA-N	-1	0	399.385	0.075	20	5		GCBDRM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1)NC1CC1	ZINC000450994559	1196964466	/nfs/dbraw/zinc/96/44/66/1196964466.db2.gz	ZRCYREJVLMDEDC-UHFFFAOYSA-N	-1	0	392.393	0.870	20	5		GCBDRM
CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1	ZINC000263014286	1197220987	/nfs/dbraw/zinc/22/09/87/1197220987.db2.gz	LTHVHOMICBUNNE-QWHCGFSZSA-N	-1	0	375.341	0.880	20	5		GCBDRM
O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1	ZINC000618900532	1197225112	/nfs/dbraw/zinc/22/51/12/1197225112.db2.gz	GNJYZQDVZZLNLZ-BONVTDFDSA-N	-1	0	395.393	0.989	20	5		GCBDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000263328025	1197260020	/nfs/dbraw/zinc/26/00/20/1197260020.db2.gz	KXQGJKHVQFZRBO-NWDGAFQWSA-N	-1	0	399.425	0.785	20	5		GCBDRM
COc1cc(OC)nc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1	ZINC000273364089	1198952404	/nfs/dbraw/zinc/95/24/04/1198952404.db2.gz	FQZPNNDDJDOBAO-UHFFFAOYSA-N	-1	0	398.353	0.974	20	5		GCBDRM
O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000273442566	1198999524	/nfs/dbraw/zinc/99/95/24/1198999524.db2.gz	NMJSZTCKBBTXHA-LBPRGKRZSA-N	-1	0	387.414	0.519	20	5		GCBDRM
C[C@H](CN(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nnn[n-]1	ZINC000273550019	1199029121	/nfs/dbraw/zinc/02/91/21/1199029121.db2.gz	VLFRPOKAFUUFMZ-MRVPVSSYSA-N	-1	0	379.402	0.561	20	5		GCBDRM
COC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000273769364	1199066662	/nfs/dbraw/zinc/06/66/62/1199066662.db2.gz	XHXDNUNQHVFCQG-UHFFFAOYSA-N	-1	0	387.370	0.802	20	5		GCBDRM
CC(C)(C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1)n1cc([N+](=O)[O-])cn1	ZINC000729898473	1201418680	/nfs/dbraw/zinc/41/86/80/1201418680.db2.gz	UCQOKKGYGDGRAV-UHFFFAOYSA-N	-1	0	393.425	0.946	20	5		GCBDRM
C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000729908575	1201419468	/nfs/dbraw/zinc/41/94/68/1201419468.db2.gz	STOOMFGQZKVJFH-SNVBAGLBSA-N	-1	0	380.386	0.389	20	5		GCBDRM
CCOc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c([N+](=O)[O-])cc1OC	ZINC000731854964	1201505495	/nfs/dbraw/zinc/50/54/95/1201505495.db2.gz	NFPHVEHIJACVLW-ZDUSSCGKSA-N	-1	0	378.345	0.729	20	5		GCBDRM
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000731854799	1201505551	/nfs/dbraw/zinc/50/55/51/1201505551.db2.gz	FVGYZMOJJQSSFG-HNNXBMFYSA-N	-1	0	387.400	0.924	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1	ZINC000731989356	1201513145	/nfs/dbraw/zinc/51/31/45/1201513145.db2.gz	YSYLWSZGMYPCFH-UHFFFAOYSA-N	-1	0	380.324	0.804	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C)c([N+](=O)[O-])c1	ZINC000732495744	1201546133	/nfs/dbraw/zinc/54/61/33/1201546133.db2.gz	PMTAFMIPHDXCKB-UHFFFAOYSA-N	-1	0	387.414	0.961	20	5		GCBDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732504609	1201546639	/nfs/dbraw/zinc/54/66/39/1201546639.db2.gz	YDCSIGGTZIAWMJ-SNVBAGLBSA-N	-1	0	388.402	0.494	20	5		GCBDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccccc2[N+](=O)[O-])cc1C(N)=O	ZINC000732618064	1201550169	/nfs/dbraw/zinc/55/01/69/1201550169.db2.gz	VMEXHURAGQSZMN-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
Cc1[nH]c2ccnn2c(=O)c1CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732619292	1201550242	/nfs/dbraw/zinc/55/02/42/1201550242.db2.gz	SGWKNIAATUYEQC-UHFFFAOYSA-N	-1	0	397.394	0.348	20	5		GCBDRM
O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000733718407	1201604645	/nfs/dbraw/zinc/60/46/45/1201604645.db2.gz	FDNIJJHQILNFTI-GFCCVEGCSA-N	-1	0	385.398	0.280	20	5		GCBDRM
O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733724339	1201605909	/nfs/dbraw/zinc/60/59/09/1201605909.db2.gz	SCKUTTIENLWALN-VHSXEESVSA-N	-1	0	387.370	0.027	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-n3cnnn3)c2)ccc1[N+](=O)[O-]	ZINC000734735569	1201662432	/nfs/dbraw/zinc/66/24/32/1201662432.db2.gz	ZFBWQSMWNPXLMN-UHFFFAOYSA-N	-1	0	388.365	0.998	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)Cc2nc3ncccn3n2)ccc1[N+](=O)[O-]	ZINC000734734416	1201662668	/nfs/dbraw/zinc/66/26/68/1201662668.db2.gz	FTCTYQOAQSVZLK-UHFFFAOYSA-N	-1	0	376.354	0.389	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccn1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000734968669	1201667169	/nfs/dbraw/zinc/66/71/69/1201667169.db2.gz	FPJYSXOJNRMOSD-SNVBAGLBSA-N	-1	0	394.365	0.693	20	5		GCBDRM
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000735406069	1201688318	/nfs/dbraw/zinc/68/83/18/1201688318.db2.gz	VWVGTYRGBPCNHA-UHFFFAOYSA-N	-1	0	378.366	0.338	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000741114983	1201757797	/nfs/dbraw/zinc/75/77/97/1201757797.db2.gz	RFECBAAGCXXQTL-UHFFFAOYSA-N	-1	0	379.398	0.601	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1	ZINC000744258708	1201838877	/nfs/dbraw/zinc/83/88/77/1201838877.db2.gz	LWDIBIZQUIJDCN-UHFFFAOYSA-N	-1	0	395.332	0.016	20	5		GCBDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-]	ZINC000744241762	1201839135	/nfs/dbraw/zinc/83/91/35/1201839135.db2.gz	NDBGNMXCSGDKCS-UHFFFAOYSA-N	-1	0	391.402	0.555	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000746459867	1201924028	/nfs/dbraw/zinc/92/40/28/1201924028.db2.gz	NQBRFHQSFNJINW-UHFFFAOYSA-N	-1	0	376.354	0.482	20	5		GCBDRM
C[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O	ZINC000767533356	1201976709	/nfs/dbraw/zinc/97/67/09/1201976709.db2.gz	XTXCTCGKGOZHNC-OAHLLOKOSA-N	-1	0	391.365	0.650	20	5		GCBDRM
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]c(=O)n2c1	ZINC000770153205	1202087882	/nfs/dbraw/zinc/08/78/82/1202087882.db2.gz	KJCFEOORDNJTKQ-UHFFFAOYSA-N	-1	0	391.365	0.645	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2n[nH]c(=O)n2c1	ZINC000770153262	1202087945	/nfs/dbraw/zinc/08/79/45/1202087945.db2.gz	LRZSPYGUSKRVBL-UHFFFAOYSA-N	-1	0	381.301	0.601	20	5		GCBDRM
CC(C)(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)nn1	ZINC000770600113	1202104822	/nfs/dbraw/zinc/10/48/22/1202104822.db2.gz	DAVBRGLUAVQXAG-UHFFFAOYSA-N	-1	0	396.385	0.315	20	5		GCBDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	ZINC000770618906	1202105613	/nfs/dbraw/zinc/10/56/13/1202105613.db2.gz	QXHIRIMTHHSXRJ-UHFFFAOYSA-N	-1	0	382.402	0.800	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-n2cnnn2)c1	ZINC000770772400	1202110730	/nfs/dbraw/zinc/11/07/30/1202110730.db2.gz	KGSWSKGZTOQXQA-UHFFFAOYSA-N	-1	0	392.328	0.828	20	5		GCBDRM
CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)C1	ZINC000770893116	1202117753	/nfs/dbraw/zinc/11/77/53/1202117753.db2.gz	MHFLWZDFHPTNDM-SECBINFHSA-N	-1	0	388.402	0.992	20	5		GCBDRM
COc1cc(C)c(S(=O)(=O)[N-]C(=O)Cn2ccc([N+](=O)[O-])n2)cc1OC	ZINC000789565472	1205442400	/nfs/dbraw/zinc/44/24/00/1205442400.db2.gz	FIRPCBLZTLSFOF-UHFFFAOYSA-N	-1	0	384.370	0.622	20	5		GCBDRM
COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)c1	ZINC000789580609	1205443044	/nfs/dbraw/zinc/44/30/44/1205443044.db2.gz	YDSZPMFJEDBLHH-UHFFFAOYSA-N	-1	0	396.381	0.614	20	5		GCBDRM
O=C(Cn1ccc2ccccc2c1=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000790783897	1205471309	/nfs/dbraw/zinc/47/13/09/1205471309.db2.gz	CABLVDLHNGIFPX-UHFFFAOYSA-N	-1	0	388.361	0.810	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ncccc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000791934416	1205481615	/nfs/dbraw/zinc/48/16/15/1205481615.db2.gz	FURYNGNXEBZOCV-UHFFFAOYSA-N	-1	0	392.328	0.828	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN(C(C)=O)C2)c([N+](=O)[O-])c1	ZINC000747105231	1205497037	/nfs/dbraw/zinc/49/70/37/1205497037.db2.gz	RYEWAUMSPVVIMB-OAHLLOKOSA-N	-1	0	385.398	0.667	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000747183310	1205513125	/nfs/dbraw/zinc/51/31/25/1205513125.db2.gz	UHRBCNVLBSOALM-UHFFFAOYSA-N	-1	0	378.326	0.423	20	5		GCBDRM
COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3[nH]nc(C)c3[N+](=O)[O-])C2=O)cc1	ZINC000808146677	1205600387	/nfs/dbraw/zinc/60/03/87/1205600387.db2.gz	BQMGCEDFCPPEQZ-MRXNPFEDSA-N	-1	0	388.340	0.747	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000809033822	1205616824	/nfs/dbraw/zinc/61/68/24/1205616824.db2.gz	HZTKRIWCZQSJOT-UHFFFAOYSA-N	-1	0	382.354	0.527	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2nnn(C)c2C1	ZINC000810535789	1205639366	/nfs/dbraw/zinc/63/93/66/1205639366.db2.gz	LOXWTWNJCWTEHA-SNVBAGLBSA-N	-1	0	379.398	0.642	20	5		GCBDRM
Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC2	ZINC000810518749	1205639497	/nfs/dbraw/zinc/63/94/97/1205639497.db2.gz	QPTWBELOEWVFKT-LLVKDONJSA-N	-1	0	379.398	0.474	20	5		GCBDRM
Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC2	ZINC000810515617	1205639557	/nfs/dbraw/zinc/63/95/57/1205639557.db2.gz	NGSJVZHQXYOFNX-QMMMGPOBSA-N	-1	0	399.816	0.987	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3nnn(C)c3C2)ccc1[N+](=O)[O-]	ZINC000810629373	1205640560	/nfs/dbraw/zinc/64/05/60/1205640560.db2.gz	GIGBJUPRSOJPKH-SECBINFHSA-N	-1	0	395.397	0.342	20	5		GCBDRM
Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC2	ZINC000810657299	1205640661	/nfs/dbraw/zinc/64/06/61/1205640661.db2.gz	FGHUOWNWYAEATP-MRVPVSSYSA-N	-1	0	383.361	0.472	20	5		GCBDRM
Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CC2	ZINC000810631352	1205640836	/nfs/dbraw/zinc/64/08/36/1205640836.db2.gz	SMPQQAHAYZBJLV-GFCCVEGCSA-N	-1	0	393.425	0.517	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1	ZINC000810711800	1205641760	/nfs/dbraw/zinc/64/17/60/1205641760.db2.gz	PQASMWROPLTCTP-UHFFFAOYSA-N	-1	0	395.397	0.965	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cnn1C	ZINC000813955684	1205681999	/nfs/dbraw/zinc/68/19/99/1205681999.db2.gz	BNBYNTLESAAUFR-UHFFFAOYSA-N	-1	0	378.370	0.492	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cnn1C	ZINC000813954520	1205682069	/nfs/dbraw/zinc/68/20/69/1205682069.db2.gz	DCPCWDUEBQHCDG-UHFFFAOYSA-N	-1	0	382.354	0.527	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1	ZINC000262819637	939074886	/nfs/dbraw/zinc/07/48/86/939074886.db2.gz	PKNWARIXYFDUJP-YMTOWFKASA-N	-1	0	399.787	0.974	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1	ZINC000262913024	939085392	/nfs/dbraw/zinc/08/53/92/939085392.db2.gz	YREDSBHDMLCHKI-QLJPJBMISA-N	-1	0	393.352	0.316	20	5		GCBDRM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000592469524	939801599	/nfs/dbraw/zinc/80/15/99/939801599.db2.gz	SXUPFEXYEMGGRV-RNCFNFMXSA-N	-1	0	375.341	0.389	20	5		GCBDRM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000597161774	939803195	/nfs/dbraw/zinc/80/31/95/939803195.db2.gz	OHMXOGUXAZLRTE-IINYFYTJSA-N	-1	0	379.369	0.709	20	5		GCBDRM
CN(C)C(=O)Cn1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nn1	ZINC000600876414	939806091	/nfs/dbraw/zinc/80/60/91/939806091.db2.gz	QQBFZANWVDVCIV-INIZCTEOSA-N	-1	0	390.356	0.004	20	5		GCBDRM
O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826449650	948314907	/nfs/dbraw/zinc/31/49/07/948314907.db2.gz	CUWZEJGRTAPKCQ-UHFFFAOYSA-N	-1	0	391.369	0.405	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826450558	948315587	/nfs/dbraw/zinc/31/55/87/948315587.db2.gz	RGSLYQLGOQTGBY-UHFFFAOYSA-N	-1	0	397.760	0.875	20	5		GCBDRM
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001589561151	948810480	/nfs/dbraw/zinc/81/04/80/948810480.db2.gz	JAOFAWZBISXHLP-JSGCOSHPSA-N	-1	0	384.410	0.874	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000170307541	949485721	/nfs/dbraw/zinc/48/57/21/949485721.db2.gz	UIWJARPJHPWNBD-NSHDSACASA-N	-1	0	397.409	0.681	20	5		GCBDRM
C[C@H](C(=O)[O-])N(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000262359259	950114023	/nfs/dbraw/zinc/11/40/23/950114023.db2.gz	CIZQQDQDMNPLSZ-SNVBAGLBSA-N	-1	0	385.398	0.727	20	5		GCBDRM
C[C@@H](C(=O)[O-])N(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000262359258	950114421	/nfs/dbraw/zinc/11/44/21/950114421.db2.gz	CIZQQDQDMNPLSZ-JTQLQIEISA-N	-1	0	385.398	0.727	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000262482577	950131501	/nfs/dbraw/zinc/13/15/01/950131501.db2.gz	VZSTYSGJFNGVTC-NSHDSACASA-N	-1	0	387.414	0.378	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)NCC2(C(=O)[O-])CCOCC2)ccc1[N+](=O)[O-]	ZINC000263001790	950211056	/nfs/dbraw/zinc/21/10/56/950211056.db2.gz	VCNHQPWPFGPAEN-UHFFFAOYSA-N	-1	0	379.369	0.631	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263131615	950284526	/nfs/dbraw/zinc/28/45/26/950284526.db2.gz	CYAZNPBAZOFQAS-VXGBXAGGSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263245114	950340006	/nfs/dbraw/zinc/34/00/06/950340006.db2.gz	SDHPYZHEHPOYSH-VXGBXAGGSA-N	-1	0	399.425	0.975	20	5		GCBDRM
O=C([O-])Cn1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O	ZINC001595154459	952157391	/nfs/dbraw/zinc/15/73/91/952157391.db2.gz	MYDHOGMELRCJLS-UHFFFAOYSA-N	-1	0	386.364	0.804	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc3ncccc3c1[N+](=O)[O-])C2	ZINC001595192572	952291926	/nfs/dbraw/zinc/29/19/26/952291926.db2.gz	QLAWGIMWVRKKSD-QFYYESIMSA-N	-1	0	393.377	0.865	20	5		GCBDRM
C[C@@H](C(=O)[O-])N(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000417431535	953411289	/nfs/dbraw/zinc/41/12/89/953411289.db2.gz	FUHWMWSHTJWMOT-JTQLQIEISA-N	-1	0	385.398	0.727	20	5		GCBDRM
C[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000427704861	953494522	/nfs/dbraw/zinc/49/45/22/953494522.db2.gz	FOQSDVKNVZREDA-ZWNOBZJWSA-N	-1	0	385.398	0.727	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000471453164	953519914	/nfs/dbraw/zinc/51/99/14/953519914.db2.gz	QUQALCLBCRZMGC-CXAGYDPISA-N	-1	0	379.369	0.460	20	5		GCBDRM
CNC(=O)c1ccc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c([N+](=O)[O-])c1	ZINC000593329060	953750966	/nfs/dbraw/zinc/75/09/66/953750966.db2.gz	VDMGVVMPJRVOPN-LBPRGKRZSA-N	-1	0	390.396	0.856	20	5		GCBDRM
CCCc1[nH]nc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-]	ZINC000593920387	953756992	/nfs/dbraw/zinc/75/69/92/953756992.db2.gz	DWLFDARBTMFALZ-SNVBAGLBSA-N	-1	0	393.400	0.808	20	5		GCBDRM
CCCc1[nH]nc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-]	ZINC000593920386	953757024	/nfs/dbraw/zinc/75/70/24/953757024.db2.gz	DWLFDARBTMFALZ-JTQLQIEISA-N	-1	0	393.400	0.808	20	5		GCBDRM
O=C([O-])C(=O)N1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC1	ZINC001594826997	953944781	/nfs/dbraw/zinc/94/47/81/953944781.db2.gz	RGXMRGZNLYJYNW-UHFFFAOYSA-N	-1	0	387.352	0.209	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H](C(=O)[O-])C1CC1	ZINC001593751152	954412618	/nfs/dbraw/zinc/41/26/18/954412618.db2.gz	POCLKOKJWYYVLX-CYBMUJFWSA-N	-1	0	385.398	0.442	20	5		GCBDRM
COC(=O)C1CC2(C1)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C[C@H]2C(=O)[O-]	ZINC001593826344	955106378	/nfs/dbraw/zinc/10/63/78/955106378.db2.gz	QWQBTDZTSKNFGI-QCIACWGRSA-N	-1	0	398.393	0.869	20	5		GCBDRM
CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1OC	ZINC000737881080	955228703	/nfs/dbraw/zinc/22/87/03/955228703.db2.gz	FDXQUOXLKMBCBS-UHFFFAOYSA-N	-1	0	381.341	0.371	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000821252806	955495842	/nfs/dbraw/zinc/49/58/42/955495842.db2.gz	ZAOASDMZGBXENC-GFCCVEGCSA-N	-1	0	381.366	0.973	20	5		GCBDRM
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000846712986	955721765	/nfs/dbraw/zinc/72/17/65/955721765.db2.gz	VKIPPMYPRZIVAG-SNVBAGLBSA-N	-1	0	376.369	0.715	20	5		GCBDRM
CC(C)Oc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001603080533	972152645	/nfs/dbraw/zinc/15/26/45/972152645.db2.gz	UNKXNJHSYCKSCW-LBPRGKRZSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1	ZINC001593974984	956655757	/nfs/dbraw/zinc/65/57/57/956655757.db2.gz	SKSFOJHYFHQFDD-QGZVFWFLSA-N	-1	0	395.368	0.043	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1	ZINC001593981980	956718378	/nfs/dbraw/zinc/71/83/78/956718378.db2.gz	DOGNAIJQILGMPG-WMLDXEAASA-N	-1	0	379.369	0.502	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CCO1	ZINC001593982486	956721113	/nfs/dbraw/zinc/72/11/13/956721113.db2.gz	BAYMREYEVVDDHR-OAHLLOKOSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CCO1	ZINC001593983622	956733398	/nfs/dbraw/zinc/73/33/98/956733398.db2.gz	AIHHNLPKVIEPHY-HNNXBMFYSA-N	-1	0	388.398	0.702	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001326936256	957333570	/nfs/dbraw/zinc/33/35/70/957333570.db2.gz	AMPLVZSQHQTMRC-GFCCVEGCSA-N	-1	0	393.400	0.414	20	5		GCBDRM
C[C@@](CO)(NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1	ZINC001603203324	972313463	/nfs/dbraw/zinc/31/34/63/972313463.db2.gz	ZHKHZFRTRIIOLH-DYVFJYSZSA-N	-1	0	379.369	0.242	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1C	ZINC001594329483	958205714	/nfs/dbraw/zinc/20/57/14/958205714.db2.gz	DUYBWBNJGULGBO-CYBMUJFWSA-N	-1	0	399.425	0.956	20	5		GCBDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001594223817	959402278	/nfs/dbraw/zinc/40/22/78/959402278.db2.gz	PDTNJMYUYCYIEV-BZNIZROVSA-N	-1	0	397.409	0.539	20	5		GCBDRM
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001594469259	959536853	/nfs/dbraw/zinc/53/68/53/959536853.db2.gz	FJTOUXDQJPYCTP-NSHDSACASA-N	-1	0	379.373	0.024	20	5		GCBDRM
C[C@@H](O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)[O-]	ZINC000230415287	960150415	/nfs/dbraw/zinc/15/04/15/960150415.db2.gz	DPYGVCXMYWJGGQ-ANLVUFKYSA-N	-1	0	394.121	0.763	20	5		GCBDRM
O=C([O-])[C@@]1(N2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCOC1	ZINC001329657088	961290429	/nfs/dbraw/zinc/29/04/29/961290429.db2.gz	OCCZDVKIGFGDPA-GOSISDBHSA-N	-1	0	377.397	0.915	20	5		GCBDRM
O=C([O-])C[C@@H]1COCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000262175120	961525250	/nfs/dbraw/zinc/52/52/50/961525250.db2.gz	CXKMDSURJPNYAK-SECBINFHSA-N	-1	0	385.760	0.680	20	5		GCBDRM
O=C([O-])C[C@H]1COCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262231431	961574836	/nfs/dbraw/zinc/57/48/36/961574836.db2.gz	MHMCVOLHGFBTTM-NSHDSACASA-N	-1	0	379.325	0.022	20	5		GCBDRM
O=C([O-])[C@]12CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1COCC2	ZINC000262302780	961631911	/nfs/dbraw/zinc/63/19/11/961631911.db2.gz	AOGZIRXARMZTNM-SCLBCKFNSA-N	-1	0	391.380	0.664	20	5		GCBDRM
O=C([O-])[C@]12CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@H]1COCC2	ZINC000262327601	961648027	/nfs/dbraw/zinc/64/80/27/961648027.db2.gz	DNKXRYHJIIOBEF-APPDUMDISA-N	-1	0	387.352	0.739	20	5		GCBDRM
CN(CC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)c1ccccc1[N+](=O)[O-]	ZINC001573997618	961851749	/nfs/dbraw/zinc/85/17/49/961851749.db2.gz	BTGFNGZPBOWXBP-LBPRGKRZSA-N	-1	0	378.385	0.613	20	5		GCBDRM
CN(CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)c1ccccc1[N+](=O)[O-]	ZINC001573997616	961853329	/nfs/dbraw/zinc/85/33/29/961853329.db2.gz	BTGFNGZPBOWXBP-GFCCVEGCSA-N	-1	0	378.385	0.613	20	5		GCBDRM
O=C([O-])C[C@]1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOC1	ZINC000262814952	961882636	/nfs/dbraw/zinc/88/26/36/961882636.db2.gz	BFRFFVZIUOABMH-MRXNPFEDSA-N	-1	0	379.325	0.070	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC001574649285	962415023	/nfs/dbraw/zinc/41/50/23/962415023.db2.gz	YOMFIKKQZRGUTO-WBMJQRKESA-N	-1	0	391.380	0.552	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263295182	962436978	/nfs/dbraw/zinc/43/69/78/962436978.db2.gz	VYEVHYTUVZPSSJ-OAHLLOKOSA-N	-1	0	385.398	0.875	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1	ZINC001574141954	962581731	/nfs/dbraw/zinc/58/17/31/962581731.db2.gz	QVCWPFVAZPHVMS-QGZVFWFLSA-N	-1	0	377.353	0.947	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1	ZINC001574143731	962603551	/nfs/dbraw/zinc/60/35/51/962603551.db2.gz	WGCSHMACXDZARR-ZDUSSCGKSA-N	-1	0	378.334	0.225	20	5		GCBDRM
COc1ccc(CC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC001574206751	962915292	/nfs/dbraw/zinc/91/52/92/962915292.db2.gz	ZSOABWUVGWATHX-LBPRGKRZSA-N	-1	0	379.369	0.728	20	5		GCBDRM
C[C@](CO)(NC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)[O-]	ZINC000313522486	963658340	/nfs/dbraw/zinc/65/83/40/963658340.db2.gz	OKXOLJKPKZKNDW-LLVKDONJSA-N	-1	0	394.121	0.765	20	5		GCBDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000263094097	967846416	/nfs/dbraw/zinc/84/64/16/967846416.db2.gz	CIVPJSWGVNMBNA-WDEREUQCSA-N	-1	0	385.398	0.585	20	5		GCBDRM
O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000368988574	968059551	/nfs/dbraw/zinc/05/95/51/968059551.db2.gz	ACJDKJJVZQWWHB-UKRRQHHQSA-N	-1	0	387.352	0.334	20	5		GCBDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000566212642	968427625	/nfs/dbraw/zinc/42/76/25/968427625.db2.gz	XIECCJJYLDJLSN-SNVBAGLBSA-N	-1	0	385.398	0.368	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC000567879231	968436458	/nfs/dbraw/zinc/43/64/58/968436458.db2.gz	OBBAOOHIBFWDPD-BXUZGUMPSA-N	-1	0	378.385	0.963	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000583992667	968481308	/nfs/dbraw/zinc/48/13/08/968481308.db2.gz	XOYPMTMTPZTEJA-AWEZNQCLSA-N	-1	0	384.414	0.511	20	5		GCBDRM
O=C([O-])CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC1	ZINC000594467189	968496914	/nfs/dbraw/zinc/49/69/14/968496914.db2.gz	QLNIZOPGXPNFJI-UHFFFAOYSA-N	-1	0	385.398	0.729	20	5		GCBDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000595988223	968502292	/nfs/dbraw/zinc/50/22/92/968502292.db2.gz	GDTGYMWDFSTNJF-QGZVFWFLSA-N	-1	0	391.384	1.000	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC001604525687	973475452	/nfs/dbraw/zinc/47/54/52/973475452.db2.gz	AXFXMUOVQAPGLT-APPDUMDISA-N	-1	0	395.368	0.742	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCO1	ZINC001604558265	973605318	/nfs/dbraw/zinc/60/53/18/973605318.db2.gz	VLLBVAIQFWRWDE-CQSZACIVSA-N	-1	0	391.739	0.912	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC001606259607	973620554	/nfs/dbraw/zinc/62/05/54/973620554.db2.gz	VNKIUKPPQAGOTC-CYBMUJFWSA-N	-1	0	385.398	0.480	20	5		GCBDRM
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000431859925	974077677	/nfs/dbraw/zinc/07/76/77/974077677.db2.gz	OXBDUZFBJYAJBX-NSHDSACASA-N	-1	0	383.405	0.825	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)c([N+](=O)[O-])c1	ZINC000569931627	974702413	/nfs/dbraw/zinc/70/24/13/974702413.db2.gz	GHCZQUUSPUNFMP-UHFFFAOYSA-N	-1	0	397.409	0.512	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1	ZINC000582304110	974923928	/nfs/dbraw/zinc/92/39/28/974923928.db2.gz	ALELUAMTCPCDMY-SNVBAGLBSA-N	-1	0	384.414	0.986	20	5		GCBDRM
O=C([O-])c1cn([C@H]2CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)nn1	ZINC000592448417	974975107	/nfs/dbraw/zinc/97/51/07/974975107.db2.gz	CLFMOEXAZWEYGB-NSHDSACASA-N	-1	0	381.370	0.910	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C(=O)[O-])C1	ZINC000595246526	974993783	/nfs/dbraw/zinc/99/37/83/974993783.db2.gz	JUYBASKFOJPKAQ-OCCSQVGLSA-N	-1	0	379.369	0.724	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000600656695	975002599	/nfs/dbraw/zinc/00/25/99/975002599.db2.gz	KHJRJKIYMXDTMN-UHFFFAOYSA-N	-1	0	387.414	0.773	20	5		GCBDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000600655867	975002976	/nfs/dbraw/zinc/00/29/76/975002976.db2.gz	BBMBMJALXNWWFW-UHFFFAOYSA-N	-1	0	387.414	0.773	20	5		GCBDRM
C[C@H](CC(=O)[O-])CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC001592371489	977894828	/nfs/dbraw/zinc/89/48/28/977894828.db2.gz	ONZVIUOMGQUYFI-NSHDSACASA-N	-1	0	387.414	0.832	20	5		GCBDRM
C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001592623299	978592910	/nfs/dbraw/zinc/59/29/10/978592910.db2.gz	GESPJYNKYJAZMF-NSHDSACASA-N	-1	0	387.414	0.634	20	5		GCBDRM
O=C([O-])C[C@]1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCCOC1	ZINC000823342537	978932919	/nfs/dbraw/zinc/93/29/19/978932919.db2.gz	BHEIBJKRJISDIN-QGZVFWFLSA-N	-1	0	393.352	0.460	20	5		GCBDRM
O=C([O-])C[C@]1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCCOC1	ZINC000823344190	978934490	/nfs/dbraw/zinc/93/44/90/978934490.db2.gz	ADIJDBMHOPGDKU-MRXNPFEDSA-N	-1	0	375.341	0.929	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C(=O)[O-])C1	ZINC000833709459	979226527	/nfs/dbraw/zinc/22/65/27/979226527.db2.gz	MFJRPFIYXJPWEW-YGRLFVJLSA-N	-1	0	390.352	0.809	20	5		GCBDRM
C[C@@](CO)(NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001592755540	979332334	/nfs/dbraw/zinc/33/23/34/979332334.db2.gz	KDIZMHSRKJBEQL-JTQLQIEISA-N	-1	0	383.176	0.471	20	5		GCBDRM
C[C@](CO)(NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001592755541	979332589	/nfs/dbraw/zinc/33/25/89/979332589.db2.gz	KDIZMHSRKJBEQL-SNVBAGLBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001595173944	979753379	/nfs/dbraw/zinc/75/33/79/979753379.db2.gz	JALFUKJZPNSPKJ-NSHDSACASA-N	-1	0	387.414	0.370	20	5		GCBDRM
CCCCNC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001595754646	982444166	/nfs/dbraw/zinc/44/41/66/982444166.db2.gz	RKDNOMBJZIXALD-UHFFFAOYSA-N	-1	0	392.412	0.967	20	5		GCBDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001599899640	984796574	/nfs/dbraw/zinc/79/65/74/984796574.db2.gz	MGNQWZBMOAYROB-QWRGUYRKSA-N	-1	0	378.385	0.903	20	5		GCBDRM
CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC001589024462	985035638	/nfs/dbraw/zinc/03/56/38/985035638.db2.gz	OFNMJUDDHUKFKD-HNNXBMFYSA-N	-1	0	387.348	0.771	20	5		GCBDRM
C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-]	ZINC001599916533	985064828	/nfs/dbraw/zinc/06/48/28/985064828.db2.gz	NFPGOEJMAJSCHQ-WDEREUQCSA-N	-1	0	385.398	0.442	20	5		GCBDRM
CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC001589079272	985236768	/nfs/dbraw/zinc/23/67/68/985236768.db2.gz	BBZWKEKZOWLCRE-JTQLQIEISA-N	-1	0	393.352	0.529	20	5		GCBDRM
CC(=O)N1CCN(C(=O)CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1	ZINC001589080168	985243021	/nfs/dbraw/zinc/24/30/21/985243021.db2.gz	TXMNWLADCSWXJH-KRWDZBQOSA-N	-1	0	378.385	0.175	20	5		GCBDRM
CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1	ZINC001589129988	985415906	/nfs/dbraw/zinc/41/59/06/985415906.db2.gz	MXMHVZBYXJXPTK-LLVKDONJSA-N	-1	0	385.398	0.830	20	5		GCBDRM
CC(=O)N[C@@H](CSCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001589160192	985498691	/nfs/dbraw/zinc/49/86/91/985498691.db2.gz	VYCUBLSEAJDGAM-LBPRGKRZSA-N	-1	0	376.412	0.691	20	5		GCBDRM
C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC001594657913	986923236	/nfs/dbraw/zinc/92/32/36/986923236.db2.gz	JYFAOOUACLHHMA-GXFFZTMASA-N	-1	0	396.425	0.888	20	5		GCBDRM
C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C(=O)[O-])O1	ZINC001599854048	989060531	/nfs/dbraw/zinc/06/05/31/989060531.db2.gz	JYNHIZJNKIZDDO-FOGDFJRCSA-N	-1	0	381.341	0.493	20	5		GCBDRM
CC(C)[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001591040973	991383736	/nfs/dbraw/zinc/38/37/36/991383736.db2.gz	VKPIVHLGXMIDPI-AWEZNQCLSA-N	-1	0	382.373	0.682	20	5		GCBDRM
CN(CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC001598386539	991608433	/nfs/dbraw/zinc/60/84/33/991608433.db2.gz	AHAQFQSAXOCJIC-CZUORRHYSA-N	-1	0	399.425	0.130	20	5		GCBDRM
CN(CC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598387024	991614950	/nfs/dbraw/zinc/61/49/50/991614950.db2.gz	POTKHASANDMZEH-STQMWFEESA-N	-1	0	385.398	0.585	20	5		GCBDRM
CS(=O)(=O)CC1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001599749597	991973184	/nfs/dbraw/zinc/97/31/84/991973184.db2.gz	TTYFNJFASKGHHB-UHFFFAOYSA-N	-1	0	399.425	0.670	20	5		GCBDRM
CC(C)NC(=O)CN1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001591644681	992960445	/nfs/dbraw/zinc/96/04/45/992960445.db2.gz	BZBQVUMUJLTRQE-UHFFFAOYSA-N	-1	0	394.428	0.700	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1=O	ZINC001598563913	993119561	/nfs/dbraw/zinc/11/95/61/993119561.db2.gz	WMNSZEALZLRODM-JTQLQIEISA-N	-1	0	386.158	0.725	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC1=O	ZINC001598564044	993121417	/nfs/dbraw/zinc/12/14/17/993121417.db2.gz	XYCYNAHRWHBPGO-CQSZACIVSA-N	-1	0	387.352	0.207	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O	ZINC001598564241	993123863	/nfs/dbraw/zinc/12/38/63/993123863.db2.gz	YYLZELYYJAJARD-JTQLQIEISA-N	-1	0	375.259	0.981	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1=O	ZINC001598565101	993133854	/nfs/dbraw/zinc/13/38/54/993133854.db2.gz	PQPMYZSOQMICGI-JTQLQIEISA-N	-1	0	375.259	0.981	20	5		GCBDRM
CN1CCN(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC001598614276	993849631	/nfs/dbraw/zinc/84/96/31/993849631.db2.gz	MJGMDSOLWHCHAD-UHFFFAOYSA-N	-1	0	386.430	0.161	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001599612879	993977927	/nfs/dbraw/zinc/97/79/27/993977927.db2.gz	NTHXLSRGOBFIKP-GFCCVEGCSA-N	-1	0	381.366	0.973	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593170316	994025669	/nfs/dbraw/zinc/02/56/69/994025669.db2.gz	LDQJDULFVSRNDA-JQWIXIFHSA-N	-1	0	378.385	0.712	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN3C(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593171425	994030355	/nfs/dbraw/zinc/03/03/55/994030355.db2.gz	VMAXRHPKNAZHDW-ZYHUDNBSSA-N	-1	0	376.369	0.609	20	5		GCBDRM
CNC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCO1	ZINC001598637519	994264825	/nfs/dbraw/zinc/26/48/25/994264825.db2.gz	MCIWBMAIXHKELU-LBPRGKRZSA-N	-1	0	397.409	0.749	20	5		GCBDRM
COc1cccc(C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(=O)[O-])c1	ZINC001599669647	994788657	/nfs/dbraw/zinc/78/86/57/994788657.db2.gz	WKTUTIVTLQRZOC-CQSZACIVSA-N	-1	0	375.337	0.577	20	5		GCBDRM
C[C@@](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593318732	994838809	/nfs/dbraw/zinc/83/88/09/994838809.db2.gz	JYDIMESYXWSKEU-BBRMVZONSA-N	-1	0	397.409	0.577	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC001598752489	995672751	/nfs/dbraw/zinc/67/27/51/995672751.db2.gz	SDNLUZVGUWTXNW-SCRDCRAPSA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC001598758006	995743623	/nfs/dbraw/zinc/74/36/23/995743623.db2.gz	RMRLWPMZUBKFNQ-ZYHUDNBSSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC001598758001	995743656	/nfs/dbraw/zinc/74/36/56/995743656.db2.gz	RMRLWPMZUBKFNQ-JQWIXIFHSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC001598765201	995822617	/nfs/dbraw/zinc/82/26/17/995822617.db2.gz	HXFCSPJROWMFBD-SMDDNHRTSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC001598769650	995872392	/nfs/dbraw/zinc/87/23/92/995872392.db2.gz	CBMKAAJGNMTFLB-WCQYABFASA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1	ZINC001598773791	995908916	/nfs/dbraw/zinc/90/89/16/995908916.db2.gz	ITFQNYGBHGIXMW-NEPJUHHUSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1	ZINC001598776173	995931914	/nfs/dbraw/zinc/93/19/14/995931914.db2.gz	VXGATHJENSFTRA-WCBMZHEXSA-N	-1	0	380.309	0.802	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1	ZINC001598776172	995931920	/nfs/dbraw/zinc/93/19/20/995931920.db2.gz	VXGATHJENSFTRA-SCZZXKLOSA-N	-1	0	380.309	0.802	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC001598778364	995954588	/nfs/dbraw/zinc/95/45/88/995954588.db2.gz	DSFDILTVKIVCNR-MFKMUULPSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC001598778360	995954683	/nfs/dbraw/zinc/95/46/83/995954683.db2.gz	DSFDILTVKIVCNR-GXFFZTMASA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC001598780306	995976839	/nfs/dbraw/zinc/97/68/39/995976839.db2.gz	JJULZSZWCRUTIW-CMPLNLGQSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC001598783804	996011208	/nfs/dbraw/zinc/01/12/08/996011208.db2.gz	GWIIKRWFGMVAIT-PWSUYJOCSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC001598785060	996022050	/nfs/dbraw/zinc/02/20/50/996022050.db2.gz	MMZRMEODPOZKLY-YPMHNXCESA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC001598786009	996029883	/nfs/dbraw/zinc/02/98/83/996029883.db2.gz	XHQZMLQCNYKGIP-MFKMUULPSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@H](C(=O)[O-])C1	ZINC001598795833	996110007	/nfs/dbraw/zinc/11/00/07/996110007.db2.gz	ZUGWRDWULHXRFD-RYUDHWBXSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(=O)[O-]	ZINC001598806586	996192930	/nfs/dbraw/zinc/19/29/30/996192930.db2.gz	GZJOHZHKSXGURC-STQMWFEESA-N	-1	0	375.337	0.882	20	5		GCBDRM
COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC001598822590	996346239	/nfs/dbraw/zinc/34/62/39/996346239.db2.gz	RFYZIPVESKRDKW-VHSXEESVSA-N	-1	0	385.760	0.992	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C(=O)[O-]	ZINC001598824917	996371449	/nfs/dbraw/zinc/37/14/49/996371449.db2.gz	ITPHKVYODNUCAE-QWRGUYRKSA-N	-1	0	386.382	0.706	20	5		GCBDRM
C[C@]1(C(=O)[O-])CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1	ZINC001593765964	996444401	/nfs/dbraw/zinc/44/44/01/996444401.db2.gz	BUHNCUMMUOOZAX-KRWDZBQOSA-N	-1	0	375.337	0.904	20	5		GCBDRM
COC(=O)CN(CCN1CCOCC1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001598863222	996692303	/nfs/dbraw/zinc/69/23/03/996692303.db2.gz	UZRSBVXXUMKGPL-UHFFFAOYSA-N	-1	0	382.373	0.308	20	5		GCBDRM
COC(=O)N(C)CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001598877451	996772735	/nfs/dbraw/zinc/77/27/35/996772735.db2.gz	KGNMEJBVIXAYAF-UHFFFAOYSA-N	-1	0	375.359	0.612	20	5		GCBDRM
COC(=O)N(C)CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001598877845	996776245	/nfs/dbraw/zinc/77/62/45/996776245.db2.gz	XNWJJVWGRJFLGD-UHFFFAOYSA-N	-1	0	375.359	0.612	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC001599334997	997819531	/nfs/dbraw/zinc/81/95/31/997819531.db2.gz	BRCVZOHZRIBFFV-CPCISQLKSA-N	-1	0	378.334	0.605	20	5		GCBDRM
COc1cc(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc([N+](=O)[O-])c1C	ZINC001599350733	998088095	/nfs/dbraw/zinc/08/80/95/998088095.db2.gz	RHOOCMMNQXDKJE-UHFFFAOYSA-N	-1	0	381.385	0.771	20	5		GCBDRM
COc1cc(OCC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC001599455711	998184726	/nfs/dbraw/zinc/18/47/26/998184726.db2.gz	GXJQJPGTUXRFHQ-LBPRGKRZSA-N	-1	0	381.341	0.174	20	5		GCBDRM
COc1cc([N+](=O)[O-])c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1SC	ZINC001599462534	998298065	/nfs/dbraw/zinc/29/80/65/998298065.db2.gz	YKLFUSFOFCGFBJ-SNVBAGLBSA-N	-1	0	383.382	0.693	20	5		GCBDRM
COc1cc([N+](=O)[O-])c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1SC	ZINC001599462533	998298478	/nfs/dbraw/zinc/29/84/78/998298478.db2.gz	YKLFUSFOFCGFBJ-JTQLQIEISA-N	-1	0	383.382	0.693	20	5		GCBDRM
COC[C@@](C)(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC001599153852	998334415	/nfs/dbraw/zinc/33/44/15/998334415.db2.gz	DEERLPPVNDQAKM-QGZVFWFLSA-N	-1	0	380.401	0.323	20	5		GCBDRM
COC[C@](C)(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC001599153851	998335280	/nfs/dbraw/zinc/33/52/80/998335280.db2.gz	DEERLPPVNDQAKM-KRWDZBQOSA-N	-1	0	380.401	0.323	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1	ZINC001599065591	999296464	/nfs/dbraw/zinc/29/64/64/999296464.db2.gz	IGRMCXIUQNIHKX-BTDLBPIBSA-N	-1	0	395.343	0.789	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccn2)c([N+](=O)[O-])n1	ZINC000559961350	530156507	/nfs/dbraw/zinc/15/65/07/530156507.db2.gz	VIAKWZLVNKZDEP-UHFFFAOYSA-N	-1	0	375.388	0.411	20	5		GCBDRM
NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)O1	ZINC000286167142	530125783	/nfs/dbraw/zinc/12/57/83/530125783.db2.gz	YIHXHHGYLQPTSH-APPZFPTMSA-N	-1	0	381.769	0.699	20	5		GCBDRM
O=C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N1CCOCC1	ZINC000286261092	530126510	/nfs/dbraw/zinc/12/65/10/530126510.db2.gz	DJQXXNSMWWLEEI-UHFFFAOYSA-N	-1	0	381.769	0.524	20	5		GCBDRM
CCOC(=O)c1sc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nc1C	ZINC000599254564	530162334	/nfs/dbraw/zinc/16/23/34/530162334.db2.gz	XQIYYLDYVVILLH-UHFFFAOYSA-N	-1	0	389.415	0.748	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CS(=O)(=O)Cc3ccccc32)n1	ZINC000599356638	530163214	/nfs/dbraw/zinc/16/32/14/530163214.db2.gz	NXKVSVWFHDOZGY-NSHDSACASA-N	-1	0	386.411	0.276	20	5		GCBDRM
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1	ZINC000560694289	530177522	/nfs/dbraw/zinc/17/75/22/530177522.db2.gz	NBPKGDHFNGXYRX-UHFFFAOYSA-N	-1	0	386.415	0.355	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000262358295	530224406	/nfs/dbraw/zinc/22/44/06/530224406.db2.gz	CFFLERTYNGDQKK-MRVPVSSYSA-N	-1	0	393.805	0.848	20	5		GCBDRM
C[S@](=O)C1(C(=O)[O-])CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1	ZINC000518192262	530225819	/nfs/dbraw/zinc/22/58/19/530225819.db2.gz	ARQBVXOPVXLVOI-DEOSSOPVSA-N	-1	0	391.427	0.044	20	5		GCBDRM
Cc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1NS(C)(=O)=O	ZINC000600645144	530241313	/nfs/dbraw/zinc/24/13/13/530241313.db2.gz	JIZQWCPXMMOSIR-UHFFFAOYSA-N	-1	0	389.415	0.809	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000262473589	530246000	/nfs/dbraw/zinc/24/60/00/530246000.db2.gz	UQMLZTAKJKHXAK-MRVPVSSYSA-N	-1	0	393.805	0.848	20	5		GCBDRM
Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1	ZINC000539109672	530250034	/nfs/dbraw/zinc/25/00/34/530250034.db2.gz	SXDFACYATRQVMC-UHFFFAOYSA-N	-1	0	389.411	0.753	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000562782453	530294554	/nfs/dbraw/zinc/29/45/54/530294554.db2.gz	TUEFPKJLOSOUJU-JTQLQIEISA-N	-1	0	376.368	0.530	20	5		GCBDRM
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000517238979	530315575	/nfs/dbraw/zinc/31/55/75/530315575.db2.gz	KWNQDMTZJDIFBY-MRVPVSSYSA-N	-1	0	380.400	0.347	20	5		GCBDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000517239011	530315749	/nfs/dbraw/zinc/31/57/49/530315749.db2.gz	LKTREUAJKBDBOV-RKDXNWHRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1	ZINC000563071151	530316240	/nfs/dbraw/zinc/31/62/40/530316240.db2.gz	VSQCRFWEEWOZQD-QMMMGPOBSA-N	-1	0	378.384	0.149	20	5		GCBDRM
CS(=O)(=O)CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000581492807	530325255	/nfs/dbraw/zinc/32/52/55/530325255.db2.gz	TUGBODBUKHGJTH-UHFFFAOYSA-N	-1	0	394.427	0.786	20	5		GCBDRM
COC[C@@](C)(NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000581941993	530326617	/nfs/dbraw/zinc/32/66/17/530326617.db2.gz	PEZMUUSRGXZAEZ-CYBMUJFWSA-N	-1	0	376.343	0.134	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000582305185	530327508	/nfs/dbraw/zinc/32/75/08/530327508.db2.gz	QOMXONSECFBNBN-VIFPVBQESA-N	-1	0	392.411	0.396	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000584267921	530360010	/nfs/dbraw/zinc/36/00/10/530360010.db2.gz	DXBYUEHEDQDTJT-RULNZOCKSA-N	-1	0	376.412	0.418	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000582842962	530331683	/nfs/dbraw/zinc/33/16/83/530331683.db2.gz	QHBSGJIBKVEEHP-HKPSDFMSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000563231240	530348979	/nfs/dbraw/zinc/34/89/79/530348979.db2.gz	DFCQCUPQVOOSSQ-VIFPVBQESA-N	-1	0	378.384	0.101	20	5		GCBDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000564920736	530351062	/nfs/dbraw/zinc/35/10/62/530351062.db2.gz	YKKJRYJSVFGOSG-BDAKNGLRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000565060654	530351441	/nfs/dbraw/zinc/35/14/41/530351441.db2.gz	DZAVZFWUIIJDKZ-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
C[S@](=O)C1(C(=O)[O-])CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000565306799	530351462	/nfs/dbraw/zinc/35/14/62/530351462.db2.gz	DAUDCCHRKHBBJQ-DEOSSOPVSA-N	-1	0	390.439	0.800	20	5		GCBDRM
CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000583438589	530353372	/nfs/dbraw/zinc/35/33/72/530353372.db2.gz	SMKHRSYRCXKGSP-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000566317615	530374490	/nfs/dbraw/zinc/37/44/90/530374490.db2.gz	WLHXFTRLJSYNID-BDAKNGLRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000566676623	530394438	/nfs/dbraw/zinc/39/44/38/530394438.db2.gz	SOVAFRAHEBBXJN-MRVPVSSYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
C[S@](=O)C1(C(=O)[O-])CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1	ZINC000567113689	530438458	/nfs/dbraw/zinc/43/84/58/530438458.db2.gz	LCKOMRSZFJCEME-DEOSSOPVSA-N	-1	0	390.439	0.800	20	5		GCBDRM
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000266312774	530481418	/nfs/dbraw/zinc/48/14/18/530481418.db2.gz	FOBIOJJGZIKDEN-UHFFFAOYSA-N	-1	0	388.793	0.729	20	5		GCBDRM
O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436492599	530475124	/nfs/dbraw/zinc/47/51/24/530475124.db2.gz	KBGNFWXRYCWIPZ-SECBINFHSA-N	-1	0	386.407	0.927	20	5		GCBDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000568889004	530494949	/nfs/dbraw/zinc/49/49/49/530494949.db2.gz	LMPZAANJBHAUOH-RKDXNWHRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1	ZINC000541953773	530495396	/nfs/dbraw/zinc/49/53/96/530495396.db2.gz	WRGXDWVAYYPSBX-UHFFFAOYSA-N	-1	0	377.285	0.970	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000571407455	530507417	/nfs/dbraw/zinc/50/74/17/530507417.db2.gz	AAFRVMMCULNXNM-HKPSDFMSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000563520881	530526863	/nfs/dbraw/zinc/52/68/63/530526863.db2.gz	CBCCZFXZBZFEQA-MRVPVSSYSA-N	-1	0	382.297	0.768	20	5		GCBDRM
O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436958265	530527678	/nfs/dbraw/zinc/52/76/78/530527678.db2.gz	FWZNIACGQLMERY-JTQLQIEISA-N	-1	0	386.407	0.927	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000414338471	530597563	/nfs/dbraw/zinc/59/75/63/530597563.db2.gz	ISIUUAZKSRGAEG-QMMMGPOBSA-N	-1	0	392.411	0.537	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000268217847	530681610	/nfs/dbraw/zinc/68/16/10/530681610.db2.gz	IUZOEGWAPZBDDN-ONGXEEELSA-N	-1	0	395.434	0.730	20	5		GCBDRM
CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000519657131	530666889	/nfs/dbraw/zinc/66/68/89/530666889.db2.gz	SDVJFFWMCLHLGJ-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000591562619	530718117	/nfs/dbraw/zinc/71/81/17/530718117.db2.gz	NLFQMGQKPVEXEA-LLVKDONJSA-N	-1	0	376.774	0.501	20	5		GCBDRM
CSC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000592137114	530757140	/nfs/dbraw/zinc/75/71/40/530757140.db2.gz	CWOPBPCICOWLGE-ZDUSSCGKSA-N	-1	0	378.428	0.994	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000592750088	530783798	/nfs/dbraw/zinc/78/37/98/530783798.db2.gz	RKTXTBXNVCWSIS-UHFFFAOYSA-N	-1	0	392.821	0.518	20	5		GCBDRM
CC(C)(CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)S(C)(=O)=O	ZINC000593312420	530799975	/nfs/dbraw/zinc/79/99/75/530799975.db2.gz	IPGCQPPCSZCXLO-UHFFFAOYSA-N	-1	0	394.427	0.785	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593307219	530800131	/nfs/dbraw/zinc/80/01/31/530800131.db2.gz	MHUJFDKQFARVSN-MRVPVSSYSA-N	-1	0	378.384	0.149	20	5		GCBDRM
COCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000462138846	530803930	/nfs/dbraw/zinc/80/39/30/530803930.db2.gz	WYHVYBBBRXSYNV-UHFFFAOYSA-N	-1	0	386.213	0.943	20	5		GCBDRM
CC(C)(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000520155592	530815532	/nfs/dbraw/zinc/81/55/32/530815532.db2.gz	NOIVFSVUORAOEX-UHFFFAOYSA-N	-1	0	383.423	0.730	20	5		GCBDRM
CN(CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000146778621	530824865	/nfs/dbraw/zinc/82/48/65/530824865.db2.gz	OREDRHWFWXSHJG-UHFFFAOYSA-N	-1	0	385.851	0.808	20	5		GCBDRM
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1	ZINC000416561987	530847319	/nfs/dbraw/zinc/84/73/19/530847319.db2.gz	NQPXGPGVKXZOIR-QMMMGPOBSA-N	-1	0	396.212	0.833	20	5		GCBDRM
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1	ZINC000416561977	530847655	/nfs/dbraw/zinc/84/76/55/530847655.db2.gz	NQPXGPGVKXZOIR-MRVPVSSYSA-N	-1	0	396.212	0.833	20	5		GCBDRM
O=c1[n-]c(CCCNc2c(I)cncc2[N+](=O)[O-])n[nH]1	ZINC000418914183	530855274	/nfs/dbraw/zinc/85/52/74/530855274.db2.gz	TUJOFYNQGXYOFC-UHFFFAOYSA-N	-1	0	390.141	0.885	20	5		GCBDRM
NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000274973867	530863327	/nfs/dbraw/zinc/86/33/27/530863327.db2.gz	CPMPQGDOPAPQON-OIBJUYFYSA-N	-1	0	391.789	0.587	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](C[C@H](OC)C2CC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000594573760	530870059	/nfs/dbraw/zinc/87/00/59/530870059.db2.gz	RXWRMVWEJSGFEH-ZJUUUORDSA-N	-1	0	376.391	0.358	20	5		GCBDRM
Cc1c(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)cc(Br)cc1[N+](=O)[O-]	ZINC000430331599	530903168	/nfs/dbraw/zinc/90/31/68/530903168.db2.gz	WMZNAQNVWFLFKR-UHFFFAOYSA-N	-1	0	399.161	0.744	20	5		GCBDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000274984431	530906302	/nfs/dbraw/zinc/90/63/02/530906302.db2.gz	YFTCKEFALNRKCK-ANLVUFKYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000275167580	530906754	/nfs/dbraw/zinc/90/67/54/530906754.db2.gz	UWBQMNCEDIWAJP-SECBINFHSA-N	-1	0	395.187	0.831	20	5		GCBDRM
NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275169964	530906943	/nfs/dbraw/zinc/90/69/43/530906943.db2.gz	VGXMSXNRLQZLRC-GMSGAONNSA-N	-1	0	391.789	0.587	20	5		GCBDRM
NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000275167598	530907138	/nfs/dbraw/zinc/90/71/38/530907138.db2.gz	UWJFIFLGNDQRBC-XVKPBYJWSA-N	-1	0	391.789	0.587	20	5		GCBDRM
NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275169965	530907203	/nfs/dbraw/zinc/90/72/03/530907203.db2.gz	VGXMSXNRLQZLRC-OIBJUYFYSA-N	-1	0	391.789	0.587	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000275185493	530907291	/nfs/dbraw/zinc/90/72/91/530907291.db2.gz	XCDGJSKDNHIXOJ-SNVBAGLBSA-N	-1	0	395.187	0.831	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275251082	530907986	/nfs/dbraw/zinc/90/79/86/530907986.db2.gz	LFJPPWIGUTVCFF-MRVPVSSYSA-N	-1	0	380.762	0.933	20	5		GCBDRM
O=C1NCCCN1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000276793573	530911019	/nfs/dbraw/zinc/91/10/19/530911019.db2.gz	YDYCVBDWAWYKQJ-UHFFFAOYSA-N	-1	0	379.192	0.966	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(C)cc1[N+](=O)[O-]	ZINC000424368295	530889459	/nfs/dbraw/zinc/88/94/59/530889459.db2.gz	POKISWLBCNOFKP-GFCCVEGCSA-N	-1	0	392.411	0.084	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(F)c2S(N)(=O)=O)c([N+](=O)[O-])n1	ZINC000443155918	530891237	/nfs/dbraw/zinc/89/12/37/530891237.db2.gz	UDWNCYIHXIDSOT-UHFFFAOYSA-N	-1	0	393.378	0.399	20	5		GCBDRM
COCCc1nc(=NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s[n-]1	ZINC000426513987	530893651	/nfs/dbraw/zinc/89/36/51/530893651.db2.gz	LHFGNXQXVONJDV-UHFFFAOYSA-N	-1	0	387.443	0.448	20	5		GCBDRM
CCS(=O)(=O)C1(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC000596091975	530930846	/nfs/dbraw/zinc/93/08/46/530930846.db2.gz	RNDZIGBHNLDFJJ-UHFFFAOYSA-N	-1	0	392.411	0.539	20	5		GCBDRM
CCOCCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600665543	530931651	/nfs/dbraw/zinc/93/16/51/530931651.db2.gz	UZCMQLVFLDCPSF-JTQLQIEISA-N	-1	0	378.407	0.466	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276912147	530912212	/nfs/dbraw/zinc/91/22/12/530912212.db2.gz	NOXSNBDQZSAUFG-LLVKDONJSA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-]	ZINC000276869492	530912429	/nfs/dbraw/zinc/91/24/29/530912429.db2.gz	CPZDFJBEWUZAJB-SNVBAGLBSA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC(=O)NCC(=O)[O-]	ZINC000278188487	530916374	/nfs/dbraw/zinc/91/63/74/530916374.db2.gz	FVMGZBGOAXPLGA-UHFFFAOYSA-N	-1	0	379.778	0.426	20	5		GCBDRM
O=C([O-])c1cn(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1	ZINC000391737606	530919924	/nfs/dbraw/zinc/91/99/24/530919924.db2.gz	YYBTUDOVORZXAZ-UHFFFAOYSA-N	-1	0	375.750	0.516	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000282292248	530923163	/nfs/dbraw/zinc/92/31/63/530923163.db2.gz	RQQFMLGFOAHEPQ-UHFFFAOYSA-N	-1	0	394.203	0.553	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000596023152	530927241	/nfs/dbraw/zinc/92/72/41/530927241.db2.gz	KEKYBWGBWCHEJQ-VIFPVBQESA-N	-1	0	387.399	0.522	20	5		GCBDRM
CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000299434827	530927600	/nfs/dbraw/zinc/92/76/00/530927600.db2.gz	VQUIWGALOKGSEL-SECBINFHSA-N	-1	0	381.407	0.436	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2CCN3CCC[C@H]3[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000556778401	530936657	/nfs/dbraw/zinc/93/66/57/530936657.db2.gz	AVBCTQVHDXWOIH-CABZTGNLSA-N	-1	0	375.428	0.887	20	5		GCBDRM
CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603776791	530936842	/nfs/dbraw/zinc/93/68/42/530936842.db2.gz	VSKYDRYMCFJHIL-SNVBAGLBSA-N	-1	0	378.428	0.888	20	5		GCBDRM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](N1CCOCC1)C(F)(F)F	ZINC000556823286	530938130	/nfs/dbraw/zinc/93/81/30/530938130.db2.gz	HDYDDJKLWKATCU-JTQLQIEISA-N	-1	0	384.336	0.531	20	5		GCBDRM
CS(=O)(=O)c1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1	ZINC000495811852	530938870	/nfs/dbraw/zinc/93/88/70/530938870.db2.gz	UATHMAGGVSBEOV-UHFFFAOYSA-N	-1	0	377.285	0.970	20	5		GCBDRM
COC(=O)C[C@@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000297357986	530952543	/nfs/dbraw/zinc/95/25/43/530952543.db2.gz	ZRWRMFDVZLDCBJ-SSDOTTSWSA-N	-1	0	380.762	0.851	20	5		GCBDRM
Cn1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1	ZINC000486845835	530952659	/nfs/dbraw/zinc/95/26/59/530952659.db2.gz	NPEJITCMAHJTAQ-UHFFFAOYSA-N	-1	0	377.180	0.359	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000576210916	530995043	/nfs/dbraw/zinc/99/50/43/530995043.db2.gz	GFXIUNIGEIUZQL-RDDDGLTNSA-N	-1	0	390.395	0.918	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)cc1[N+](=O)[O-]	ZINC000576210914	530995166	/nfs/dbraw/zinc/99/51/66/530995166.db2.gz	GFXIUNIGEIUZQL-CPCISQLKSA-N	-1	0	390.395	0.918	20	5		GCBDRM
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000326415744	530998665	/nfs/dbraw/zinc/99/86/65/530998665.db2.gz	LTFXJZIVOFBFCY-VIFPVBQESA-N	-1	0	378.384	0.101	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1C	ZINC000547929336	531020589	/nfs/dbraw/zinc/02/05/89/531020589.db2.gz	ZGVXPBGOHCMPOI-LLVKDONJSA-N	-1	0	392.411	0.084	20	5		GCBDRM
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000548225919	531088797	/nfs/dbraw/zinc/08/87/97/531088797.db2.gz	RAKIAVFJOQSOBM-IONNQARKSA-N	-1	0	390.395	0.903	20	5		GCBDRM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1	ZINC000359907748	212123452	/nfs/dbraw/zinc/12/34/52/212123452.db2.gz	ZGQHDBHVPOIPQQ-ZDUSSCGKSA-N	-1	0	399.425	0.567	20	5		GCBDRM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	ZINC000359907746	206269705	/nfs/dbraw/zinc/26/97/05/206269705.db2.gz	ZGQHDBHVPOIPQQ-CYBMUJFWSA-N	-1	0	399.425	0.567	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)nc1	ZINC000738138045	599150601	/nfs/dbraw/zinc/15/06/01/599150601.db2.gz	COSBZGQCCXDZHU-UHFFFAOYSA-N	-1	0	389.353	0.430	20	5		GCBDRM
O=C([O-])CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262224004	597115447	/nfs/dbraw/zinc/11/54/47/597115447.db2.gz	LYISJVZGCCASJD-NSHDSACASA-N	-1	0	385.398	0.586	20	5		GCBDRM
COc1cc(CCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC	ZINC000591269328	597414105	/nfs/dbraw/zinc/41/41/05/597414105.db2.gz	HARLTTNZOOMAFM-CQSZACIVSA-N	-1	0	383.357	0.650	20	5		GCBDRM
CC(=O)NCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)C(=O)[O-]	ZINC000819769816	597676374	/nfs/dbraw/zinc/67/63/74/597676374.db2.gz	AWLGWWCZBDGXQV-NSHDSACASA-N	-1	0	378.385	0.395	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](C)C(=O)[O-]	ZINC000262188617	597692851	/nfs/dbraw/zinc/69/28/51/597692851.db2.gz	GLDISTHXEMGSIB-LLVKDONJSA-N	-1	0	389.368	0.832	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	ZINC000262405393	597699578	/nfs/dbraw/zinc/69/95/78/597699578.db2.gz	KSKDCXCYJNXJOA-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)Nc2ccn(CC(=O)[O-])n2)c([N+](=O)[O-])c1	ZINC000739179858	599737597	/nfs/dbraw/zinc/73/75/97/599737597.db2.gz	COVLJCNLHWKASC-UHFFFAOYSA-N	-1	0	379.354	0.706	20	5		GCBDRM
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@@H](C(=O)[O-])C2)C1=O	ZINC000736740438	599957820	/nfs/dbraw/zinc/95/78/20/599957820.db2.gz	BJIYXCOYWVUPQX-MLGOLLRUSA-N	-1	0	378.341	0.105	20	5		GCBDRM
CCN1CCO[C@H](CNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000737123631	599968440	/nfs/dbraw/zinc/96/84/40/599968440.db2.gz	YRRYEUCDEDGDSE-WCQYABFASA-N	-1	0	380.401	0.930	20	5		GCBDRM
CCN1CCO[C@@H](CNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000737123632	599968895	/nfs/dbraw/zinc/96/88/95/599968895.db2.gz	YRRYEUCDEDGDSE-YPMHNXCESA-N	-1	0	380.401	0.930	20	5		GCBDRM
O=C([O-])[C@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1	ZINC000738549616	599977872	/nfs/dbraw/zinc/97/78/72/599977872.db2.gz	VVCXMKBJWRTEAJ-OAHLLOKOSA-N	-1	0	378.385	0.029	20	5		GCBDRM
O=C([O-])c1nc2n(n1)CCCN2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000740276912	599996965	/nfs/dbraw/zinc/99/69/65/599996965.db2.gz	AXJHOGYWHCEGNK-UHFFFAOYSA-N	-1	0	384.312	0.516	20	5		GCBDRM
O=C([O-])C1CCC(NC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739384270	600026783	/nfs/dbraw/zinc/02/67/83/600026783.db2.gz	NTUKKEIHHAMFDM-CXTZMWEQSA-N	-1	0	381.385	0.932	20	5		GCBDRM
O=C([O-])C1CCC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	ZINC000739274406	600051659	/nfs/dbraw/zinc/05/16/59/600051659.db2.gz	RAJDCOMXGJPLJG-UHFFFAOYSA-N	-1	0	375.337	0.950	20	5		GCBDRM
CC(C)(NC(=O)[O-])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000736332733	600151634	/nfs/dbraw/zinc/15/16/34/600151634.db2.gz	VLMSYUQVHBZFNI-UHFFFAOYSA-N	-1	0	388.402	0.573	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000739789495	600161264	/nfs/dbraw/zinc/16/12/64/600161264.db2.gz	ABQNZSKAVSFSMJ-UHFFFAOYSA-N	-1	0	391.377	0.141	20	5		GCBDRM
O=C([O-])CN1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1	ZINC000739803844	600179677	/nfs/dbraw/zinc/17/96/77/600179677.db2.gz	PBRBWGXFSAVRKQ-UHFFFAOYSA-N	-1	0	379.341	0.798	20	5		GCBDRM
CN(C)CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000737370416	600181847	/nfs/dbraw/zinc/18/18/47/600181847.db2.gz	QIAVUWUGVWHLTN-ZDUSSCGKSA-N	-1	0	399.425	0.484	20	5		GCBDRM
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000736148258	600187931	/nfs/dbraw/zinc/18/79/31/600187931.db2.gz	IHRCAAUTQMQFHX-CYBMUJFWSA-N	-1	0	378.341	0.359	20	5		GCBDRM
C[C@](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])C1CC1	ZINC000538506012	600200468	/nfs/dbraw/zinc/20/04/68/600200468.db2.gz	ZDTGBRHZHWSZQE-OAHLLOKOSA-N	-1	0	385.398	0.633	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)NCCSCCC(=O)[O-])cc([N+](=O)[O-])c1	ZINC000738168424	600254418	/nfs/dbraw/zinc/25/44/18/600254418.db2.gz	ORHLLCZYLXYUCD-UHFFFAOYSA-N	-1	0	376.412	0.936	20	5		GCBDRM
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000739633895	600255907	/nfs/dbraw/zinc/25/59/07/600255907.db2.gz	JAFLHJGKIGQVDD-LLVKDONJSA-N	-1	0	385.760	0.819	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000739785795	600263003	/nfs/dbraw/zinc/26/30/03/600263003.db2.gz	JEWGZEWBTJWJNP-UHFFFAOYSA-N	-1	0	376.369	0.935	20	5		GCBDRM
COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000737767539	600382458	/nfs/dbraw/zinc/38/24/58/600382458.db2.gz	ATMNIAQHJFZFQP-JTQLQIEISA-N	-1	0	383.332	0.646	20	5		GCBDRM
C[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000594459513	600537128	/nfs/dbraw/zinc/53/71/28/600537128.db2.gz	BSBCYWHVKRYUKF-GXFFZTMASA-N	-1	0	385.398	0.585	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N(C)CCN2CCCC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657139	600540513	/nfs/dbraw/zinc/54/05/13/600540513.db2.gz	PIASEEGZXAMPDF-LLVKDONJSA-N	-1	0	378.385	0.856	20	5		GCBDRM
C[C@H](CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000263079639	600544151	/nfs/dbraw/zinc/54/41/51/600544151.db2.gz	BDFCFFUWVMRPDO-RISCZKNCSA-N	-1	0	399.425	0.927	20	5		GCBDRM
Cc1nnc(CN2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)n1C	ZINC000738385780	600549847	/nfs/dbraw/zinc/54/98/47/600549847.db2.gz	DREXKLBROKLRLM-UHFFFAOYSA-N	-1	0	388.384	0.688	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000737791040	600621778	/nfs/dbraw/zinc/62/17/78/600621778.db2.gz	ZHVCWENBUDLSCR-UHFFFAOYSA-N	-1	0	379.325	0.141	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657959	600623707	/nfs/dbraw/zinc/62/37/07/600623707.db2.gz	WOJGLPSCHLKLGE-AAEUAGOBSA-N	-1	0	381.385	0.775	20	5		GCBDRM
COCCN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	ZINC000831745409	600812530	/nfs/dbraw/zinc/81/25/30/600812530.db2.gz	PSQUVFGVFOVHCY-OLZOCXBDSA-N	-1	0	394.428	0.955	20	5		GCBDRM
C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC000828202004	600825553	/nfs/dbraw/zinc/82/55/53/600825553.db2.gz	ZRMOXFMHINRSPU-XWIASGKRSA-N	-1	0	376.369	0.830	20	5		GCBDRM
C[C@@]1(C2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O	ZINC000378178947	600833043	/nfs/dbraw/zinc/83/30/43/600833043.db2.gz	BWTSWNMVKYZHGD-KRWDZBQOSA-N	-1	0	390.352	0.743	20	5		GCBDRM
Cn1ccc(N2CCC[C@@H](NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2=O)n1	ZINC000738411647	601044169	/nfs/dbraw/zinc/04/41/69/601044169.db2.gz	RQJSCZZKLPQUBV-CYBMUJFWSA-N	-1	0	387.352	0.952	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1	ZINC000833275157	601056793	/nfs/dbraw/zinc/05/67/93/601056793.db2.gz	HGPVKXLUYZONMP-UHFFFAOYSA-N	-1	0	375.345	0.625	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1=O	ZINC000833122748	601070138	/nfs/dbraw/zinc/07/01/38/601070138.db2.gz	LPYUDOWFTOJOKB-VIFPVBQESA-N	-1	0	379.354	0.473	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC000832958699	601172837	/nfs/dbraw/zinc/17/28/37/601172837.db2.gz	NLYKHGRFWVPNRE-GFCCVEGCSA-N	-1	0	378.385	0.849	20	5		GCBDRM
Cc1ccc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000832937528	601174570	/nfs/dbraw/zinc/17/45/70/601174570.db2.gz	RLRHSUTUBWAPEW-LBPRGKRZSA-N	-1	0	378.385	0.849	20	5		GCBDRM
Cc1nnc([C@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])CCO2)[nH]1	ZINC000832990586	601214081	/nfs/dbraw/zinc/21/40/81/601214081.db2.gz	DADJEPQDYSGHKX-CYBMUJFWSA-N	-1	0	390.356	0.414	20	5		GCBDRM
C[C@]1([C@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)NC(=O)NC1=O	ZINC000828087977	601245241	/nfs/dbraw/zinc/24/52/41/601245241.db2.gz	GCDWQSVZDILGQV-APPDUMDISA-N	-1	0	390.352	0.743	20	5		GCBDRM
C[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000828486273	601253971	/nfs/dbraw/zinc/25/39/71/601253971.db2.gz	LWCICAFOVKUWNI-WBMJQRKESA-N	-1	0	392.412	0.566	20	5		GCBDRM
C[C@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1N1CCOCC1	ZINC000828486267	601253984	/nfs/dbraw/zinc/25/39/84/601253984.db2.gz	LWCICAFOVKUWNI-BLLLJJGKSA-N	-1	0	392.412	0.566	20	5		GCBDRM
C[C@@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1	ZINC000827386473	601259259	/nfs/dbraw/zinc/25/92/59/601259259.db2.gz	UCENPSGCSXBZNO-JTQLQIEISA-N	-1	0	375.378	0.903	20	5		GCBDRM
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1=O	ZINC000828121413	601373864	/nfs/dbraw/zinc/37/38/64/601373864.db2.gz	GYYNRAJVKJLTRP-DYVFJYSZSA-N	-1	0	392.368	0.495	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1	ZINC000833252221	601379572	/nfs/dbraw/zinc/37/95/72/601379572.db2.gz	JBBVYLPQMKWWHD-UHFFFAOYSA-N	-1	0	376.369	0.516	20	5		GCBDRM
COC(=O)C[C@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000831147711	601381882	/nfs/dbraw/zinc/38/18/82/601381882.db2.gz	HIRVNLMBBHENJD-NSHDSACASA-N	-1	0	381.341	0.178	20	5		GCBDRM
COC(=O)[C@H](C)NC(=O)c1ccc(N2CCO[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831060322	601382727	/nfs/dbraw/zinc/38/27/27/601382727.db2.gz	SHBFDJJSUXBJJH-CMPLNLGQSA-N	-1	0	395.368	0.566	20	5		GCBDRM
COC(=O)C[C@H]1CN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000831148168	601382793	/nfs/dbraw/zinc/38/27/93/601382793.db2.gz	QFXHWWCJMBLFKF-PWSUYJOCSA-N	-1	0	395.368	0.566	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703556	601383015	/nfs/dbraw/zinc/38/30/15/601383015.db2.gz	OQGFIDJLVOCXJF-KOLCDFICSA-N	-1	0	377.357	0.012	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703555	601383232	/nfs/dbraw/zinc/38/32/32/601383232.db2.gz	OQGFIDJLVOCXJF-GXSJLCMTSA-N	-1	0	377.357	0.012	20	5		GCBDRM
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1=O	ZINC000830908472	601427196	/nfs/dbraw/zinc/42/71/96/601427196.db2.gz	WTBHFRBFHWWMPB-GTNSWQLSSA-N	-1	0	390.352	0.743	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc([N+](=O)[O-])c1	ZINC000262110214	601543237	/nfs/dbraw/zinc/54/32/37/601543237.db2.gz	JZQAGACFPRLZEF-UHFFFAOYSA-N	-1	0	397.409	0.979	20	5		GCBDRM
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@@H]1C(=O)[O-]	ZINC000828499580	601564351	/nfs/dbraw/zinc/56/43/51/601564351.db2.gz	CNCGOSIQICSQNW-AAEUAGOBSA-N	-1	0	399.425	0.773	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2[N+](=O)[O-])CC1	ZINC000825847679	601635001	/nfs/dbraw/zinc/63/50/01/601635001.db2.gz	YXSPFMRTURSZHY-UHFFFAOYSA-N	-1	0	390.396	0.953	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000827760553	601685237	/nfs/dbraw/zinc/68/52/37/601685237.db2.gz	LNLMJKOBTFMRGH-QMMMGPOBSA-N	-1	0	397.369	0.332	20	5		GCBDRM
COC[C@@](C)(NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)[O-]	ZINC000271892975	601697704	/nfs/dbraw/zinc/69/77/04/601697704.db2.gz	OHSZMJKLKCPRFE-QGZVFWFLSA-N	-1	0	390.352	0.669	20	5		GCBDRM
COC[C@](C)(NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)[O-]	ZINC000831602130	601700599	/nfs/dbraw/zinc/70/05/99/601700599.db2.gz	AWHQEQPISIUWMO-INIZCTEOSA-N	-1	0	381.341	0.889	20	5		GCBDRM
O=C([O-])C1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCS(=O)(=O)CC1	ZINC000833127443	601719872	/nfs/dbraw/zinc/71/98/72/601719872.db2.gz	MFDZHCQVWPBELG-UHFFFAOYSA-N	-1	0	397.409	0.931	20	5		GCBDRM
O=C([O-])[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCOC1	ZINC000833128766	601736966	/nfs/dbraw/zinc/73/69/66/601736966.db2.gz	MNKNMCGWUGVYLB-JDNHERCYSA-N	-1	0	381.316	0.447	20	5		GCBDRM
CC[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000592380030	601750103	/nfs/dbraw/zinc/75/01/03/601750103.db2.gz	IPQHPQSTYFMJMM-ZDUSSCGKSA-N	-1	0	378.385	0.856	20	5		GCBDRM
C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000828334723	601758421	/nfs/dbraw/zinc/75/84/21/601758421.db2.gz	PPKIFXFUHMGUDJ-MFKMUULPSA-N	-1	0	385.398	0.442	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000832169866	601760610	/nfs/dbraw/zinc/76/06/10/601760610.db2.gz	UJRHLLKNYRBOAC-LLVKDONJSA-N	-1	0	381.341	0.035	20	5		GCBDRM
O=C([O-])C1(CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000833132841	601780032	/nfs/dbraw/zinc/78/00/32/601780032.db2.gz	DNGFAVKEJQZYII-ZIAGYGMSSA-N	-1	0	381.385	0.933	20	5		GCBDRM
COc1cccc(OC)c1OC[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000832567251	602299818	/nfs/dbraw/zinc/29/98/18/602299818.db2.gz	DDVGVLYXHROMIB-NSHDSACASA-N	-1	0	394.336	0.912	20	5		GCBDRM
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NN=c2[nH]cccc2[N+](=O)[O-])c1	ZINC000831243237	602309371	/nfs/dbraw/zinc/30/93/71/602309371.db2.gz	YGTZUBZXKLXQJF-UHFFFAOYSA-N	-1	0	396.337	0.780	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ncccc3C2)c1-c1nnn[n-]1	ZINC000826499984	607564881	/nfs/dbraw/zinc/56/48/81/607564881.db2.gz	HGSIESGYXYHYBT-UHFFFAOYSA-N	-1	0	387.381	0.917	20	5		GCBDRM
O=C1CCCN1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826480609	607582948	/nfs/dbraw/zinc/58/29/48/607582948.db2.gz	JJYOVETVNDHPKL-UHFFFAOYSA-N	-1	0	395.401	0.066	20	5		GCBDRM
CCC[C@@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)OC	ZINC000825233066	607583178	/nfs/dbraw/zinc/58/31/78/607583178.db2.gz	MOKBIGWCGNTQPW-CQSZACIVSA-N	-1	0	398.401	0.785	20	5		GCBDRM
O=C([O-])NCCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000739973854	602741716	/nfs/dbraw/zinc/74/17/16/602741716.db2.gz	ZYKKYXWHLVIYLP-LBPRGKRZSA-N	-1	0	387.370	0.559	20	5		GCBDRM
CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825220810	607585429	/nfs/dbraw/zinc/58/54/29/607585429.db2.gz	WXXXBWRVIGATLY-UWVGGRQHSA-N	-1	0	382.402	0.963	20	5		GCBDRM
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)Cn1cccn1	ZINC000824427781	607589761	/nfs/dbraw/zinc/58/97/61/607589761.db2.gz	OWBAGAAQTKGNFN-JTQLQIEISA-N	-1	0	392.401	0.586	20	5		GCBDRM
CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825418332	607595684	/nfs/dbraw/zinc/59/56/84/607595684.db2.gz	ZXUDEFPQLPFZHX-JTQLQIEISA-N	-1	0	382.402	0.965	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)NC(C)(C)C	ZINC000824640537	607596769	/nfs/dbraw/zinc/59/67/69/607596769.db2.gz	KKWUGSDLAIFKSJ-QMMMGPOBSA-N	-1	0	397.417	0.356	20	5		GCBDRM
Cc1noc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)n1	ZINC000826339345	607605546	/nfs/dbraw/zinc/60/55/46/607605546.db2.gz	AILOLKJSZJFSNU-UHFFFAOYSA-N	-1	0	394.373	0.377	20	5		GCBDRM
Cn1c(Cl)cnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826356094	607605383	/nfs/dbraw/zinc/60/53/83/607605383.db2.gz	ZSZHRAHGOJHFQF-UHFFFAOYSA-N	-1	0	398.792	0.640	20	5		GCBDRM
Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826334151	607606850	/nfs/dbraw/zinc/60/68/50/607606850.db2.gz	JWFSRTRHVJTOPC-VIFPVBQESA-N	-1	0	392.401	0.856	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000737926224	603273659	/nfs/dbraw/zinc/27/36/59/603273659.db2.gz	OQYZFCAEZBZHMJ-LLVKDONJSA-N	-1	0	380.357	0.592	20	5		GCBDRM
CCC(CC)[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825095230	607635902	/nfs/dbraw/zinc/63/59/02/607635902.db2.gz	GDTTYSJSBGVZHS-LLVKDONJSA-N	-1	0	384.418	0.850	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)C2CCCCC2)c1-c1nnn[n-]1	ZINC000826499873	607658533	/nfs/dbraw/zinc/65/85/33/607658533.db2.gz	BPRFBEAETJQTSC-LLVKDONJSA-N	-1	0	396.429	0.994	20	5		GCBDRM
CC[C@](C)(CC(=O)OC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825043147	607662496	/nfs/dbraw/zinc/66/24/96/607662496.db2.gz	FFLWZROWBVWOII-CQSZACIVSA-N	-1	0	398.401	0.785	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOc3ccncc32)c1-c1nnn[n-]1	ZINC000826499939	607665000	/nfs/dbraw/zinc/66/50/00/607665000.db2.gz	FJUQIRZGWAYMDV-UHFFFAOYSA-N	-1	0	389.353	0.758	20	5		GCBDRM
C[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824402645	607669959	/nfs/dbraw/zinc/66/99/59/607669959.db2.gz	XNTCZWNSDLIZBY-VHSXEESVSA-N	-1	0	382.402	0.868	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NC[C@H]2CCCS2(=O)=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704285	604279535	/nfs/dbraw/zinc/27/95/35/604279535.db2.gz	WZACRTFZJRPESD-MWLCHTKSSA-N	-1	0	385.398	0.787	20	5		GCBDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000831939162	604364825	/nfs/dbraw/zinc/36/48/25/604364825.db2.gz	CGMLHCZSUZJMGT-UHFFFAOYSA-N	-1	0	376.372	0.538	20	5		GCBDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000827010538	604392737	/nfs/dbraw/zinc/39/27/37/604392737.db2.gz	HLXMJOBBGPNTNU-GFCCVEGCSA-N	-1	0	388.398	0.949	20	5		GCBDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000827001888	604393463	/nfs/dbraw/zinc/39/34/63/604393463.db2.gz	SGOYZHDRWBVNCV-LBPRGKRZSA-N	-1	0	393.352	0.527	20	5		GCBDRM
COC(=O)Cn1cc([C@@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nn1	ZINC000831192506	604672478	/nfs/dbraw/zinc/67/24/78/604672478.db2.gz	LEEXGLVSNRYHGN-MRVPVSSYSA-N	-1	0	378.297	0.976	20	5		GCBDRM
C[C@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cn(CC(=O)[O-])nn1	ZINC000827844079	604687645	/nfs/dbraw/zinc/68/76/45/604687645.db2.gz	LZEOFKQATXJNCI-QMMMGPOBSA-N	-1	0	378.297	0.960	20	5		GCBDRM
C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cn(CC(=O)[O-])nn1	ZINC000827844958	604687783	/nfs/dbraw/zinc/68/77/83/604687783.db2.gz	UDNXRNACHUMGJN-MRVPVSSYSA-N	-1	0	398.353	0.592	20	5		GCBDRM
C[C@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cn(CC(=O)[O-])nn1	ZINC000827866890	604693463	/nfs/dbraw/zinc/69/34/63/604693463.db2.gz	JIZKASWLLBFRGM-VIFPVBQESA-N	-1	0	387.312	0.770	20	5		GCBDRM
C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)NCC(=O)[O-]	ZINC000833534386	604710137	/nfs/dbraw/zinc/71/01/37/604710137.db2.gz	YSYBOKYUBCNGKY-YFKPBYRVSA-N	-1	0	376.119	0.498	20	5		GCBDRM
O=C([O-])C1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	ZINC000738719372	604748772	/nfs/dbraw/zinc/74/87/72/604748772.db2.gz	UFZJWOJQLQIMEW-UHFFFAOYSA-N	-1	0	379.369	0.483	20	5		GCBDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000826114833	604876746	/nfs/dbraw/zinc/87/67/46/604876746.db2.gz	WPJSSEMIYVKKMR-UHFFFAOYSA-N	-1	0	389.368	0.908	20	5		GCBDRM
CN(C(=O)[O-])c1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000830506938	604876835	/nfs/dbraw/zinc/87/68/35/604876835.db2.gz	ADBXCAYFYDOENR-UHFFFAOYSA-N	-1	0	376.329	0.660	20	5		GCBDRM
Cc1sc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c(C(=O)[O-])c1C	ZINC000833034617	604877420	/nfs/dbraw/zinc/87/74/20/604877420.db2.gz	HVCRWRNDONPYGD-UHFFFAOYSA-N	-1	0	381.370	0.923	20	5		GCBDRM
O=C([O-])NCc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000833281209	604878053	/nfs/dbraw/zinc/87/80/53/604878053.db2.gz	RQUGTWXJLQCERG-UHFFFAOYSA-N	-1	0	376.329	0.314	20	5		GCBDRM
C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000833537098	604906773	/nfs/dbraw/zinc/90/67/73/604906773.db2.gz	WSEPRXUXMKDBQQ-VIFPVBQESA-N	-1	0	376.325	0.888	20	5		GCBDRM
C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000833537097	604907015	/nfs/dbraw/zinc/90/70/15/604907015.db2.gz	WSEPRXUXMKDBQQ-SECBINFHSA-N	-1	0	376.325	0.888	20	5		GCBDRM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000833744490	605291552	/nfs/dbraw/zinc/29/15/52/605291552.db2.gz	BYBKHUCBGMZHNQ-JTQLQIEISA-N	-1	0	375.334	0.006	20	5		GCBDRM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833744733	605296199	/nfs/dbraw/zinc/29/61/99/605296199.db2.gz	IRXKAGQLQFIGND-ZDUSSCGKSA-N	-1	0	376.362	0.889	20	5		GCBDRM
C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824698696	607747573	/nfs/dbraw/zinc/74/75/73/607747573.db2.gz	NCAQJDSVTPIBDK-VHSXEESVSA-N	-1	0	382.402	0.699	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1nnc2n1CCC2	ZINC000833523727	605394140	/nfs/dbraw/zinc/39/41/40/605394140.db2.gz	WSCGQKNIPRMSSL-MRVPVSSYSA-N	-1	0	381.370	0.870	20	5		GCBDRM
C[C@](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])(C(N)=O)c1ccccc1	ZINC000833522941	605394273	/nfs/dbraw/zinc/39/42/73/605394273.db2.gz	HJCJHOFNEOYRAY-MRXNPFEDSA-N	-1	0	393.377	0.972	20	5		GCBDRM
COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833724079	605395099	/nfs/dbraw/zinc/39/50/99/605395099.db2.gz	FZEKXMIGMXTCRA-GFCCVEGCSA-N	-1	0	387.414	0.682	20	5		GCBDRM
CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833457126	605396860	/nfs/dbraw/zinc/39/68/60/605396860.db2.gz	QNVBFCXLVOTECD-UHFFFAOYSA-N	-1	0	394.427	0.785	20	5		GCBDRM
CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1=O	ZINC000833500820	605398654	/nfs/dbraw/zinc/39/86/54/605398654.db2.gz	NUJBXLDIQVXBSD-SNVBAGLBSA-N	-1	0	385.354	0.107	20	5		GCBDRM
CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCS1(=O)=O	ZINC000833561870	605399565	/nfs/dbraw/zinc/39/95/65/605399565.db2.gz	WHRKITRNAUYPIO-UHFFFAOYSA-N	-1	0	392.411	0.491	20	5		GCBDRM
Cc1nn(C)c2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CCO2	ZINC000833756354	605400285	/nfs/dbraw/zinc/40/02/85/605400285.db2.gz	JJRSXMUIRCGHNW-UHFFFAOYSA-N	-1	0	382.354	0.923	20	5		GCBDRM
CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H](C)C1	ZINC000833394129	605400799	/nfs/dbraw/zinc/40/07/99/605400799.db2.gz	OICUPLZUQUHAOG-TVQRCGJNSA-N	-1	0	385.398	0.828	20	5		GCBDRM
O=C([O-])c1cn(C2CN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2)nn1	ZINC000780318288	605535076	/nfs/dbraw/zinc/53/50/76/605535076.db2.gz	WHPYEJFEKBMTIM-UHFFFAOYSA-N	-1	0	384.312	0.162	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(-c2nn[nH]n2)s1	ZINC000823284478	606182608	/nfs/dbraw/zinc/18/26/08/606182608.db2.gz	HYTSTIXFGDFNET-UHFFFAOYSA-N	-1	0	381.355	0.350	20	5		GCBDRM
COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2nc3cc([N+](=O)[O-])ccc3o2)c1	ZINC000821666859	606310656	/nfs/dbraw/zinc/31/06/56/606310656.db2.gz	JTFRQSBMLFXCQJ-UHFFFAOYSA-N	-1	0	397.307	0.913	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000822645583	606409124	/nfs/dbraw/zinc/40/91/24/606409124.db2.gz	FXXGHWPURNKYOL-UHFFFAOYSA-N	-1	0	383.371	0.294	20	5		GCBDRM
CC[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1	ZINC000820926148	606479478	/nfs/dbraw/zinc/47/94/78/606479478.db2.gz	POINHIXFCLKWNO-LLVKDONJSA-N	-1	0	386.372	0.736	20	5		GCBDRM
Cc1cc(F)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000822203074	606709540	/nfs/dbraw/zinc/70/95/40/606709540.db2.gz	CVCMFYHWSRLNJN-UHFFFAOYSA-N	-1	0	382.337	0.757	20	5		GCBDRM
CN(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821596509	606732861	/nfs/dbraw/zinc/73/28/61/606732861.db2.gz	MFOALLFGFVODEQ-JTQLQIEISA-N	-1	0	382.402	0.965	20	5		GCBDRM
CN(C[C@@H]1CCCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821596695	606734794	/nfs/dbraw/zinc/73/47/94/606734794.db2.gz	RQRUJADSZCAFPM-JTQLQIEISA-N	-1	0	382.402	0.822	20	5		GCBDRM
CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000820142132	606735267	/nfs/dbraw/zinc/73/52/67/606735267.db2.gz	HFKWBDFEKWPIDA-SECBINFHSA-N	-1	0	398.401	0.736	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@H]1C	ZINC000821657869	606736497	/nfs/dbraw/zinc/73/64/97/606736497.db2.gz	XYYVYDLATVGUFY-BDAKNGLRSA-N	-1	0	396.385	0.205	20	5		GCBDRM
NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000822865288	606736832	/nfs/dbraw/zinc/73/68/32/606736832.db2.gz	ZMPUBXOWYHJNAA-VIFPVBQESA-N	-1	0	395.401	0.051	20	5		GCBDRM
Cc1cc(=O)[nH]cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000822210940	606788231	/nfs/dbraw/zinc/78/82/31/606788231.db2.gz	XWAJQMNZYPOLFA-UHFFFAOYSA-N	-1	0	377.342	0.985	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)c1C	ZINC000822271335	607002360	/nfs/dbraw/zinc/00/23/60/607002360.db2.gz	XRWUBKBLLIITRV-UHFFFAOYSA-N	-1	0	378.374	0.926	20	5		GCBDRM
COc1ncccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000821920509	607154222	/nfs/dbraw/zinc/15/42/22/607154222.db2.gz	UHVOLSFZAWYLBP-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@H]1C	ZINC000825465417	607819379	/nfs/dbraw/zinc/81/93/79/607819379.db2.gz	LAHQLSBWLKZBSJ-SNVBAGLBSA-N	-1	0	381.418	0.490	20	5		GCBDRM
CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825908397	607853490	/nfs/dbraw/zinc/85/34/90/607853490.db2.gz	HHUJUTZSOVZEOA-GXSJLCMTSA-N	-1	0	382.402	0.556	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)c1-c1nnn[n-]1	ZINC000826500479	607971413	/nfs/dbraw/zinc/97/14/13/607971413.db2.gz	ZQEOQLWXUALPGJ-ZJUUUORDSA-N	-1	0	382.402	0.604	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)c1-c1nnn[n-]1	ZINC000826500476	607971419	/nfs/dbraw/zinc/97/14/19/607971419.db2.gz	ZQEOQLWXUALPGJ-NXEZZACHSA-N	-1	0	382.402	0.604	20	5		GCBDRM
O=c1ccc([N+](=O)[O-])cn1CCn1cc(-c2nnn[n-]2)c(=O)c2ccccc21	ZINC000826501597	608077379	/nfs/dbraw/zinc/07/73/79/608077379.db2.gz	XZAVKWZWYJFGBM-UHFFFAOYSA-N	-1	0	379.336	0.952	20	5		GCBDRM
Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1=O	ZINC000826357109	608096136	/nfs/dbraw/zinc/09/61/36/608096136.db2.gz	RGYNKXOASWTUNV-UHFFFAOYSA-N	-1	0	396.323	0.339	20	5		GCBDRM
CC[C@@]1(C)COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825164966	608155422	/nfs/dbraw/zinc/15/54/22/608155422.db2.gz	OGHJSLPSIDSCTE-AWEZNQCLSA-N	-1	0	382.402	0.965	20	5		GCBDRM
C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCN1C	ZINC000824857114	608156715	/nfs/dbraw/zinc/15/67/15/608156715.db2.gz	AZYJCZYISVBZHK-ZJUUUORDSA-N	-1	0	381.418	0.488	20	5		GCBDRM
CCN1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@@H]1C	ZINC000825453242	608238357	/nfs/dbraw/zinc/23/83/57/608238357.db2.gz	UQOQEYCBULIOGH-WDEREUQCSA-N	-1	0	395.445	0.878	20	5		GCBDRM
CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826227301	608422054	/nfs/dbraw/zinc/42/20/54/608422054.db2.gz	OXVCDAOLMWKJRZ-APPZFPTMSA-N	-1	0	388.431	0.166	20	5		GCBDRM
CCCCN(CCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825285414	608423466	/nfs/dbraw/zinc/42/34/66/608423466.db2.gz	UFLXOAURUUNLPU-UHFFFAOYSA-N	-1	0	384.418	0.948	20	5		GCBDRM
CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824172653	608440269	/nfs/dbraw/zinc/44/02/69/608440269.db2.gz	NBIQWGIJPHEQEW-LLVKDONJSA-N	-1	0	382.402	0.699	20	5		GCBDRM
CC(C)C(=O)NCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824184294	608445709	/nfs/dbraw/zinc/44/57/09/608445709.db2.gz	FNBFOMQKZQYIEA-UHFFFAOYSA-N	-1	0	397.417	0.168	20	5		GCBDRM
CCOCCOC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000825598843	609183448	/nfs/dbraw/zinc/18/34/48/609183448.db2.gz	DBSRTIQHZPJIFH-UHFFFAOYSA-N	-1	0	398.401	0.201	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826450443	609404754	/nfs/dbraw/zinc/40/47/54/609404754.db2.gz	MTVQSCOPWXLFGB-UHFFFAOYSA-N	-1	0	381.305	0.361	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]NC(=S)NCCc2cccnc2)c1	ZINC000727692049	639033477	/nfs/dbraw/zinc/03/34/77/639033477.db2.gz	HHYKKZZZGTXFRZ-UHFFFAOYSA-N	-1	0	381.439	0.890	20	5		GCBDRM
C[C@](O)(CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263463962	639166908	/nfs/dbraw/zinc/16/69/08/639166908.db2.gz	FPLMZZATHWJISV-JTQLQIEISA-N	-1	0	383.176	0.471	20	5		GCBDRM
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000729886722	639201446	/nfs/dbraw/zinc/20/14/46/639201446.db2.gz	KECSNNLDYRQOHQ-JTQLQIEISA-N	-1	0	376.387	0.850	20	5		GCBDRM
COCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000732520261	639810618	/nfs/dbraw/zinc/81/06/18/639810618.db2.gz	AQGMCVYOOCJMNE-SECBINFHSA-N	-1	0	391.427	0.353	20	5		GCBDRM
COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)ccc1[N+](=O)[O-]	ZINC000732617354	639811731	/nfs/dbraw/zinc/81/17/31/639811731.db2.gz	HUUKGRWVRWMNHV-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COc2ccccc2[N+](=O)[O-])s1	ZINC000732615605	639812344	/nfs/dbraw/zinc/81/23/44/639812344.db2.gz	LGLSLMUKZDYTJE-UHFFFAOYSA-N	-1	0	385.379	0.639	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000732615904	639812358	/nfs/dbraw/zinc/81/23/58/639812358.db2.gz	VSINNPXKOPCALR-UHFFFAOYSA-N	-1	0	387.399	0.155	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2	ZINC000917445626	639852176	/nfs/dbraw/zinc/85/21/76/639852176.db2.gz	JJMHQCNBHLVRQW-CQSZACIVSA-N	-1	0	385.423	0.774	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1C(N)=O	ZINC000737319075	640147114	/nfs/dbraw/zinc/14/71/14/640147114.db2.gz	SRTGBSRHLDOZBU-UHFFFAOYSA-N	-1	0	386.773	0.804	20	5		GCBDRM
CCCS(=O)(=O)[N-]C(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000739203535	640183440	/nfs/dbraw/zinc/18/34/40/640183440.db2.gz	KOOWPVOYSYGMHK-SECBINFHSA-N	-1	0	393.443	0.895	20	5		GCBDRM
CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000744243839	640266308	/nfs/dbraw/zinc/26/63/08/640266308.db2.gz	WOHUKFLAIUXTBA-SECBINFHSA-N	-1	0	390.443	0.574	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CC2(CS(C)(=O)=O)CC2)ccc1[N+](=O)[O-]	ZINC000747120839	640304081	/nfs/dbraw/zinc/30/40/81/640304081.db2.gz	OKOYVAUXUOLBMP-UHFFFAOYSA-N	-1	0	390.439	0.923	20	5		GCBDRM
O=C(CCNC(=O)c1ccsc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750758516	640367435	/nfs/dbraw/zinc/36/74/35/640367435.db2.gz	DBNFNAMBTYVOIZ-UHFFFAOYSA-N	-1	0	384.395	0.676	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)cc1[N+](=O)[O-]	ZINC000754672927	640457349	/nfs/dbraw/zinc/45/73/49/640457349.db2.gz	JTAICGVZMLGPLI-UHFFFAOYSA-N	-1	0	390.805	0.648	20	5		GCBDRM
CCOCCOCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000754680619	640457965	/nfs/dbraw/zinc/45/79/65/640457965.db2.gz	JIMHQAYBRJQQAK-UHFFFAOYSA-N	-1	0	381.794	0.688	20	5		GCBDRM
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CC1=O	ZINC000754680519	640458033	/nfs/dbraw/zinc/45/80/33/640458033.db2.gz	HHDCBPLYUIQMDQ-ZETCQYMHSA-N	-1	0	390.805	0.504	20	5		GCBDRM
O=C([O-])c1cn(CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1	ZINC000761400166	640593636	/nfs/dbraw/zinc/59/36/36/640593636.db2.gz	LCDBDXRPFNPVHE-UHFFFAOYSA-N	-1	0	375.750	0.516	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000761418866	640593838	/nfs/dbraw/zinc/59/38/38/640593838.db2.gz	GIUMRHKBBBNRON-UHFFFAOYSA-N	-1	0	380.400	0.233	20	5		GCBDRM
COCCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	ZINC000763012590	640620666	/nfs/dbraw/zinc/62/06/66/640620666.db2.gz	NGVMZIGNNLAPMQ-UHFFFAOYSA-N	-1	0	377.394	0.951	20	5		GCBDRM
CS(=O)(=O)c1csc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1	ZINC000767462871	640724470	/nfs/dbraw/zinc/72/44/70/640724470.db2.gz	NCBYLFLKQHQOMI-UHFFFAOYSA-N	-1	0	391.408	0.574	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000768211463	640746746	/nfs/dbraw/zinc/74/67/46/640746746.db2.gz	FWCXPOXUVZJXLR-UHFFFAOYSA-N	-1	0	376.343	0.046	20	5		GCBDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000770618360	640810411	/nfs/dbraw/zinc/81/04/11/640810411.db2.gz	KPOYYUJTGDMAAY-UHFFFAOYSA-N	-1	0	379.416	0.315	20	5		GCBDRM
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C	ZINC000770773632	640814617	/nfs/dbraw/zinc/81/46/17/640814617.db2.gz	SUYMHUREMXGFFI-NSHDSACASA-N	-1	0	377.350	0.919	20	5		GCBDRM
COc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)nn1C	ZINC000774101800	640877761	/nfs/dbraw/zinc/87/77/61/640877761.db2.gz	IJVRPMDGEPTVNI-UHFFFAOYSA-N	-1	0	389.777	0.691	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)C1CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000774299309	640886130	/nfs/dbraw/zinc/88/61/30/640886130.db2.gz	QRZPFEHXJZXAGS-UHFFFAOYSA-N	-1	0	391.427	0.214	20	5		GCBDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CC1	ZINC000775246157	641074000	/nfs/dbraw/zinc/07/40/00/641074000.db2.gz	QDWWGALRLJPGBY-UHFFFAOYSA-N	-1	0	391.789	0.979	20	5		GCBDRM
C[C@H](O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776438689	641096213	/nfs/dbraw/zinc/09/62/13/641096213.db2.gz	YOSJARIRBVBIKU-CDUCUWFYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
Cn1cnc(S(=O)(=O)N[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c1Cl	ZINC000776536108	641100345	/nfs/dbraw/zinc/10/03/45/641100345.db2.gz	HWZRWPSXZPUINK-VIFPVBQESA-N	-1	0	388.789	0.956	20	5		GCBDRM
Cn1cc(C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000776548821	641101766	/nfs/dbraw/zinc/10/17/66/641101766.db2.gz	MTPUUONZOVDDQO-JTQLQIEISA-N	-1	0	388.789	0.956	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000776715726	641114258	/nfs/dbraw/zinc/11/42/58/641114258.db2.gz	NITVBJALHDPQII-DJNLSKAYSA-N	-1	0	380.375	0.249	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000776715739	641114402	/nfs/dbraw/zinc/11/44/02/641114402.db2.gz	NITVBJALHDPQII-VCGICTTQSA-N	-1	0	380.375	0.249	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)c2cnn(CC(F)(F)F)c2)n1	ZINC000861327144	641148063	/nfs/dbraw/zinc/14/80/63/641148063.db2.gz	UQQGDSZVVTWZGA-UHFFFAOYSA-N	-1	0	382.280	0.206	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cc2c(=O)[nH]cnc2cn1	ZINC000778641188	641166952	/nfs/dbraw/zinc/16/69/52/641166952.db2.gz	SOTRBRWFKFEZKB-UHFFFAOYSA-N	-1	0	381.351	0.819	20	5		GCBDRM
Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000781734131	641235263	/nfs/dbraw/zinc/23/52/63/641235263.db2.gz	IAJGCUKBMTXWBQ-UHFFFAOYSA-N	-1	0	377.285	0.443	20	5		GCBDRM
C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000781836255	641238200	/nfs/dbraw/zinc/23/82/00/641238200.db2.gz	FIXJSOWRWPNSLF-ZETCQYMHSA-N	-1	0	389.390	0.848	20	5		GCBDRM
CCN(CC)S(=O)(=O)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000784874624	641295959	/nfs/dbraw/zinc/29/59/59/641295959.db2.gz	YXZCLUFFSKVYCF-UHFFFAOYSA-N	-1	0	393.443	0.380	20	5		GCBDRM
Cn1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1	ZINC000785405503	641310349	/nfs/dbraw/zinc/31/03/49/641310349.db2.gz	UUAOZHWBGAFGEB-UHFFFAOYSA-N	-1	0	377.180	0.359	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000790075266	641407558	/nfs/dbraw/zinc/40/75/58/641407558.db2.gz	JXQZKISMWDJFOA-ZANVPECISA-N	-1	0	376.362	0.889	20	5		GCBDRM
O=c1nc(CCNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[n-]o1	ZINC000791411057	641430932	/nfs/dbraw/zinc/43/09/32/641430932.db2.gz	HSJHMUBHUPRWIH-UHFFFAOYSA-N	-1	0	393.175	0.555	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)c([N+](=O)[O-])c1	ZINC000791762310	641436854	/nfs/dbraw/zinc/43/68/54/641436854.db2.gz	JEIDGROITALSTR-GFCCVEGCSA-N	-1	0	392.411	0.376	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)ccc1[N+](=O)[O-]	ZINC000791815967	641438551	/nfs/dbraw/zinc/43/85/51/641438551.db2.gz	ZSVAVRIRYTWTPZ-LBPRGKRZSA-N	-1	0	376.412	0.675	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCS1(=O)=O	ZINC000791831605	641439138	/nfs/dbraw/zinc/43/91/38/641439138.db2.gz	OLPMHQLFPSAOHM-LLVKDONJSA-N	-1	0	380.375	0.506	20	5		GCBDRM
COCC1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOCC1	ZINC000810657712	641735354	/nfs/dbraw/zinc/73/53/54/641735354.db2.gz	RIVMVFUIWNPFME-UHFFFAOYSA-N	-1	0	376.362	0.982	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCS(=O)(=O)C1	ZINC000815916127	641836330	/nfs/dbraw/zinc/83/63/30/641836330.db2.gz	LQBXABJGBCJCHO-NSHDSACASA-N	-1	0	390.439	0.923	20	5		GCBDRM
Cc1nc(N(C)C)sc1S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000821614215	641997085	/nfs/dbraw/zinc/99/70/85/641997085.db2.gz	VRXGGXBLJJYLAY-UHFFFAOYSA-N	-1	0	388.431	0.517	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000800550637	642084705	/nfs/dbraw/zinc/08/47/05/642084705.db2.gz	ZUGPGVGAGARXAW-UHFFFAOYSA-N	-1	0	381.313	0.392	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccn2)cc1[N+](=O)[O-]	ZINC000802087026	642143377	/nfs/dbraw/zinc/14/33/77/642143377.db2.gz	FAVUJSGVYGYCGL-UHFFFAOYSA-N	-1	0	385.379	0.512	20	5		GCBDRM
COCCNC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000841551055	642311256	/nfs/dbraw/zinc/31/12/56/642311256.db2.gz	MYSCYCHTDVFCKV-UHFFFAOYSA-N	-1	0	395.796	0.961	20	5		GCBDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000842356142	642332359	/nfs/dbraw/zinc/33/23/59/642332359.db2.gz	SJSLXJAAQFJVIC-UHFFFAOYSA-N	-1	0	395.187	0.980	20	5		GCBDRM
Cc1c(CS(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-]	ZINC000842403623	642335278	/nfs/dbraw/zinc/33/52/78/642335278.db2.gz	HDMNYYBSKCMWEU-CYBMUJFWSA-N	-1	0	390.439	0.817	20	5		GCBDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000842450981	642336490	/nfs/dbraw/zinc/33/64/90/642336490.db2.gz	FTWNTVRDGCSFTQ-UHFFFAOYSA-N	-1	0	385.276	0.775	20	5		GCBDRM
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])S1(=O)=O	ZINC000842700370	642344756	/nfs/dbraw/zinc/34/47/56/642344756.db2.gz	SMXYZYTWRZIHRA-SECBINFHSA-N	-1	0	397.818	0.087	20	5		GCBDRM
C[S@@](=O)C1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1	ZINC000844219416	642397623	/nfs/dbraw/zinc/39/76/23/642397623.db2.gz	VCVCNRXHOQLJGU-XMMPIXPASA-N	-1	0	390.439	0.800	20	5		GCBDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000846002927	642466362	/nfs/dbraw/zinc/46/63/62/642466362.db2.gz	UFLLROXDULPNFK-UHFFFAOYSA-N	-1	0	382.192	0.703	20	5		GCBDRM
C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CS2	ZINC000847892871	642524470	/nfs/dbraw/zinc/52/44/70/642524470.db2.gz	IUHZDEFNLUZNIP-TVQRCGJNSA-N	-1	0	386.411	0.249	20	5		GCBDRM
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C(C)C	ZINC000850888955	642701198	/nfs/dbraw/zinc/70/11/98/642701198.db2.gz	QNLXAJVNLDRNIJ-NSHDSACASA-N	-1	0	377.350	0.919	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@]12CCC(=O)N1CCS2	ZINC000850888026	642701278	/nfs/dbraw/zinc/70/12/78/642701278.db2.gz	GOVUETSLCFXDKG-CYBMUJFWSA-N	-1	0	389.386	0.604	20	5		GCBDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000850888900	642701298	/nfs/dbraw/zinc/70/12/98/642701298.db2.gz	OZNLAEQPINJRMF-UHFFFAOYSA-N	-1	0	380.375	0.835	20	5		GCBDRM
CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-]	ZINC000851193064	642710792	/nfs/dbraw/zinc/71/07/92/642710792.db2.gz	BECKXJNBMPGAKN-UHFFFAOYSA-N	-1	0	393.443	0.516	20	5		GCBDRM
Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1C	ZINC000851326695	642716788	/nfs/dbraw/zinc/71/67/88/642716788.db2.gz	BZQFPNYOWDCSFK-UHFFFAOYSA-N	-1	0	386.411	0.725	20	5		GCBDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)CCNc1ccccc1[N+](=O)[O-])OC	ZINC000853201679	642787929	/nfs/dbraw/zinc/78/79/29/642787929.db2.gz	FYCJJAFCDUBRTH-LLVKDONJSA-N	-1	0	375.403	0.504	20	5		GCBDRM
C[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CNC(=O)OC(C)(C)C	ZINC000859074449	642977194	/nfs/dbraw/zinc/97/71/94/642977194.db2.gz	BNAJJDWAJAMZPO-SECBINFHSA-N	-1	0	377.423	0.767	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1COC(=O)N1	ZINC000860833597	643045892	/nfs/dbraw/zinc/04/58/92/643045892.db2.gz	SCPJVEJEMXZDIK-LURJTMIESA-N	-1	0	383.260	0.527	20	5		GCBDRM
O=C(Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1)N1CCOCC1	ZINC000274709817	1184207180	/nfs/dbraw/zinc/20/71/80/1184207180.db2.gz	KRKFEMVKQHJQMY-UHFFFAOYSA-N	-1	0	375.341	0.608	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cc1[N+](=O)[O-]	ZINC000274956818	1184438642	/nfs/dbraw/zinc/43/86/42/1184438642.db2.gz	AXGXXYDWCXGQGA-NEPJUHHUSA-N	-1	0	397.409	0.599	20	5		GCBDRM
NC(=O)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000275050606	1184475810	/nfs/dbraw/zinc/47/58/10/1184475810.db2.gz	IDLDPLICPCMRCQ-MRVPVSSYSA-N	-1	0	399.303	0.611	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1C	ZINC000275052417	1184476906	/nfs/dbraw/zinc/47/69/06/1184476906.db2.gz	XKSGDDAMDWULDZ-GFCCVEGCSA-N	-1	0	387.414	0.275	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c1C	ZINC000275052418	1184477112	/nfs/dbraw/zinc/47/71/12/1184477112.db2.gz	XKSGDDAMDWULDZ-LBPRGKRZSA-N	-1	0	387.414	0.275	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000275091166	1184505195	/nfs/dbraw/zinc/50/51/95/1184505195.db2.gz	KELGZDDCEPXWGG-WCQYABFASA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000275091162	1184505407	/nfs/dbraw/zinc/50/54/07/1184505407.db2.gz	KELGZDDCEPXWGG-DGCLKSJQSA-N	-1	0	397.409	0.599	20	5		GCBDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000275121626	1184524229	/nfs/dbraw/zinc/52/42/29/1184524229.db2.gz	OAYWYBLUMNKDJO-VIFPVBQESA-N	-1	0	390.370	0.476	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1C	ZINC000275138926	1184530045	/nfs/dbraw/zinc/53/00/45/1184530045.db2.gz	PZFQTFIXOIOCRV-PWSUYJOCSA-N	-1	0	385.398	0.551	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000275167504	1184539159	/nfs/dbraw/zinc/53/91/59/1184539159.db2.gz	UVLLRJYUAUPAOI-LLVKDONJSA-N	-1	0	397.409	0.681	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(=O)[O-]	ZINC000275359731	1184630637	/nfs/dbraw/zinc/63/06/37/1184630637.db2.gz	XHZHFJPYDVHLAL-SNVBAGLBSA-N	-1	0	397.365	0.828	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])o1	ZINC000547877167	1184732618	/nfs/dbraw/zinc/73/26/18/1184732618.db2.gz	KEMOHECUJXJCEP-NSHDSACASA-N	-1	0	398.349	0.949	20	5		GCBDRM
Cc1cc(=O)c(C(=O)NC[C@](C)(O)C(=O)[O-])nn1-c1ccccc1[N+](=O)[O-]	ZINC000471471136	1184910593	/nfs/dbraw/zinc/91/05/93/1184910593.db2.gz	MDSLPURJBGDGMY-INIZCTEOSA-N	-1	0	376.325	0.015	20	5		GCBDRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000262079869	1185315074	/nfs/dbraw/zinc/31/50/74/1185315074.db2.gz	BJGYWCXJPVDYSX-LBPRGKRZSA-N	-1	0	379.369	0.755	20	5		GCBDRM
CN(C)c1noc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1	ZINC000477159518	1185801270	/nfs/dbraw/zinc/80/12/70/1185801270.db2.gz	DKOMFGMYWGVVRE-UHFFFAOYSA-N	-1	0	385.358	0.294	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-]	ZINC000548217034	1185890684	/nfs/dbraw/zinc/89/06/84/1185890684.db2.gz	LFZWGNBIZLZDIX-LBPRGKRZSA-N	-1	0	398.349	0.949	20	5		GCBDRM
Cn1nccc1S(=O)(=O)N[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-]	ZINC000548264169	1185920848	/nfs/dbraw/zinc/92/08/48/1185920848.db2.gz	OZXNYVBXWWKLKK-ZDUSSCGKSA-N	-1	0	393.381	0.784	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000276844827	1186118133	/nfs/dbraw/zinc/11/81/33/1186118133.db2.gz	CRWOKKQLSILVFK-LBPRGKRZSA-N	-1	0	387.414	0.275	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c(C)c([N+](=O)[O-])c1	ZINC000276969140	1186183212	/nfs/dbraw/zinc/18/32/12/1186183212.db2.gz	XWAXFWYGRCJMQV-SNVBAGLBSA-N	-1	0	381.341	0.713	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000548533371	1186303201	/nfs/dbraw/zinc/30/32/01/1186303201.db2.gz	GVZRTHJBYBUUCW-PELKAZGASA-N	-1	0	388.354	0.149	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2OC)c([N+](=O)[O-])n1	ZINC000548533533	1186303757	/nfs/dbraw/zinc/30/37/57/1186303757.db2.gz	JSOBGIPDKOUFSY-GFCCVEGCSA-N	-1	0	384.370	0.924	20	5		GCBDRM
CCn1cc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548538254	1186307377	/nfs/dbraw/zinc/30/73/77/1186307377.db2.gz	GIWYVIQZZYCOMD-SNVBAGLBSA-N	-1	0	383.386	0.428	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000548553832	1186314849	/nfs/dbraw/zinc/31/48/49/1186314849.db2.gz	IJCYNMZEWDQEPY-GFCCVEGCSA-N	-1	0	382.398	0.859	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000548553833	1186315160	/nfs/dbraw/zinc/31/51/60/1186315160.db2.gz	IJCYNMZEWDQEPY-LBPRGKRZSA-N	-1	0	382.398	0.859	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c([N+](=O)[O-])c1	ZINC000548579326	1186326263	/nfs/dbraw/zinc/32/62/63/1186326263.db2.gz	HAEXGAWDPIQAFD-NWDGAFQWSA-N	-1	0	397.409	0.599	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1	ZINC000263172386	1186358864	/nfs/dbraw/zinc/35/88/64/1186358864.db2.gz	YVGWEQMYRLRWKD-BXUZGUMPSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000263203820	1186364060	/nfs/dbraw/zinc/36/40/60/1186364060.db2.gz	MRFMYCJNYMEAGJ-VXGBXAGGSA-N	-1	0	399.425	0.927	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1	ZINC000263391329	1186391403	/nfs/dbraw/zinc/39/14/03/1186391403.db2.gz	YSVDNOBSJYAJFM-YPMHNXCESA-N	-1	0	378.385	0.963	20	5		GCBDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1	ZINC000263391326	1186391948	/nfs/dbraw/zinc/39/19/48/1186391948.db2.gz	YSVDNOBSJYAJFM-AAEUAGOBSA-N	-1	0	378.385	0.963	20	5		GCBDRM
CCO[C@H]1C[C@](NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000548685467	1186424026	/nfs/dbraw/zinc/42/40/26/1186424026.db2.gz	MOJGNISMORHJDU-HZMBPMFUSA-N	-1	0	390.418	0.748	20	5		GCBDRM
CCO[C@@H]1C[C@@](NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000548685469	1186424251	/nfs/dbraw/zinc/42/42/51/1186424251.db2.gz	MOJGNISMORHJDU-QMTHXVAHSA-N	-1	0	390.418	0.748	20	5		GCBDRM
C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1c1nccn2cnnc12	ZINC000583087395	1186767365	/nfs/dbraw/zinc/76/73/65/1186767365.db2.gz	TZDCVSFFOXCSNM-SNVBAGLBSA-N	-1	0	384.356	0.841	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1[N+](=O)[O-]	ZINC000572943063	1186814193	/nfs/dbraw/zinc/81/41/93/1186814193.db2.gz	FUDUVILRXXGEMW-QPUJVOFHSA-N	-1	0	388.354	0.149	20	5		GCBDRM
CCN1CCN(CCc2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)C(=O)C1=O	ZINC000278212749	1186834264	/nfs/dbraw/zinc/83/42/64/1186834264.db2.gz	WHQGALRDQQTWLC-UHFFFAOYSA-N	-1	0	375.341	0.584	20	5		GCBDRM
CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-]	ZINC000278215445	1186834882	/nfs/dbraw/zinc/83/48/82/1186834882.db2.gz	TWBKEXILWLWXBT-JTQLQIEISA-N	-1	0	390.370	0.678	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000584116136	1187001052	/nfs/dbraw/zinc/00/10/52/1187001052.db2.gz	LDAZGMLBIMHWDW-AWEZNQCLSA-N	-1	0	399.425	0.785	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(=O)C(=O)[O-])CC1	ZINC000584235119	1187019632	/nfs/dbraw/zinc/01/96/32/1187019632.db2.gz	IAJLRPRSFOYLIE-UHFFFAOYSA-N	-1	0	380.357	0.161	20	5		GCBDRM
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000785216230	1187317812	/nfs/dbraw/zinc/31/78/12/1187317812.db2.gz	XLXGDOLNKSAASJ-UHFFFAOYSA-N	-1	0	384.418	0.766	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1	ZINC000066585102	1187740789	/nfs/dbraw/zinc/74/07/89/1187740789.db2.gz	HASVXCKSORYLET-UHFFFAOYSA-N	-1	0	383.386	0.689	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c([N+](=O)[O-])c1	ZINC000066585281	1187740875	/nfs/dbraw/zinc/74/08/75/1187740875.db2.gz	ZYRUKFIGVZORRJ-UHFFFAOYSA-N	-1	0	383.386	0.689	20	5		GCBDRM
CO[C@@H](C)c1nc(=NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)s[n-]1	ZINC000549034957	1187762872	/nfs/dbraw/zinc/76/28/72/1187762872.db2.gz	VYEBSXXFDLFMCN-ZETCQYMHSA-N	-1	0	391.365	0.810	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1	ZINC000414334698	1187836119	/nfs/dbraw/zinc/83/61/19/1187836119.db2.gz	GGPMATHACQULID-WDEREUQCSA-N	-1	0	383.382	0.725	20	5		GCBDRM
CO[C@@H]1COCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000414337354	1187837631	/nfs/dbraw/zinc/83/76/31/1187837631.db2.gz	XHSZIQKQYVBJIY-GXFFZTMASA-N	-1	0	388.398	0.931	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c1	ZINC000414354158	1187848127	/nfs/dbraw/zinc/84/81/27/1187848127.db2.gz	ZWURYQGBCCEHHB-LBPRGKRZSA-N	-1	0	383.382	0.725	20	5		GCBDRM
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cn1	ZINC000728762252	1189583291	/nfs/dbraw/zinc/58/32/91/1189583291.db2.gz	AJAZIGPFHRBHCL-UHFFFAOYSA-N	-1	0	378.366	0.609	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000417444158	1189665293	/nfs/dbraw/zinc/66/52/93/1189665293.db2.gz	BYVHUOGYLKUNMH-STQMWFEESA-N	-1	0	385.398	0.583	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cn1	ZINC000759799819	1189741896	/nfs/dbraw/zinc/74/18/96/1189741896.db2.gz	ASICEXWESPFVJT-UHFFFAOYSA-N	-1	0	381.322	0.846	20	5		GCBDRM
O=C([O-])C1CCC(NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000420552919	1194239132	/nfs/dbraw/zinc/23/91/32/1194239132.db2.gz	AXOPKGGRFPIREC-UHFFFAOYSA-N	-1	0	391.380	0.944	20	5		GCBDRM
O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)C2	ZINC000420570082	1194244524	/nfs/dbraw/zinc/24/45/24/1194244524.db2.gz	WHFRYOFOCXXPOO-SCLBCKFNSA-N	-1	0	375.381	0.967	20	5		GCBDRM
O=C([N-]OCC1CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000293748977	1194398071	/nfs/dbraw/zinc/39/80/71/1194398071.db2.gz	KCPONRJJCJIYDF-YPMHNXCESA-N	-1	0	385.398	0.177	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1	ZINC000273720440	1194585912	/nfs/dbraw/zinc/58/59/12/1194585912.db2.gz	MIPPLMMQLLCNPY-QWHCGFSZSA-N	-1	0	383.382	0.725	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N(C)CCCC(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000422643629	1194681332	/nfs/dbraw/zinc/68/13/32/1194681332.db2.gz	JXCVAEKNAPQXME-UHFFFAOYSA-N	-1	0	381.341	0.952	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c(C)c([N+](=O)[O-])c1	ZINC000422651496	1194682076	/nfs/dbraw/zinc/68/20/76/1194682076.db2.gz	PAXZQPAFLHVXLO-UHFFFAOYSA-N	-1	0	393.352	0.952	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)C(=O)[O-]	ZINC000422668402	1194685526	/nfs/dbraw/zinc/68/55/26/1194685526.db2.gz	DKMCUCVAGAXKBG-SNVBAGLBSA-N	-1	0	380.357	0.280	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC000422674008	1194686632	/nfs/dbraw/zinc/68/66/32/1194686632.db2.gz	VISMSCOSLOXLDI-SNVBAGLBSA-N	-1	0	380.357	0.280	20	5		GCBDRM
COc1ccc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000422724037	1194694477	/nfs/dbraw/zinc/69/44/77/1194694477.db2.gz	UDYJORWQRFCOPV-JQWIXIFHSA-N	-1	0	379.369	0.789	20	5		GCBDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000422848660	1194702870	/nfs/dbraw/zinc/70/28/70/1194702870.db2.gz	BBYMBITYMKGKFL-UHFFFAOYSA-N	-1	0	379.369	0.898	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000422918955	1194710905	/nfs/dbraw/zinc/71/09/05/1194710905.db2.gz	JDMIZHBVYPSSJL-VXGBXAGGSA-N	-1	0	391.380	0.754	20	5		GCBDRM
CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1C	ZINC000504230552	1194763249	/nfs/dbraw/zinc/76/32/49/1194763249.db2.gz	UDPNVLWIOLRHJA-UHFFFAOYSA-N	-1	0	383.386	0.655	20	5		GCBDRM
CNC(=O)Cn1nc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1C	ZINC000504245802	1194769235	/nfs/dbraw/zinc/76/92/35/1194769235.db2.gz	HISQHBGNSYCVMP-UHFFFAOYSA-N	-1	0	381.414	0.830	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCS1(=O)=O	ZINC000424254152	1194806660	/nfs/dbraw/zinc/80/66/60/1194806660.db2.gz	YHDQDFSNMMSEFH-ZDUSSCGKSA-N	-1	0	394.365	0.104	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O	ZINC000424243546	1194807382	/nfs/dbraw/zinc/80/73/82/1194807382.db2.gz	NGADIGQDTNTGFD-CYBMUJFWSA-N	-1	0	385.398	0.497	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000424242011	1194807397	/nfs/dbraw/zinc/80/73/97/1194807397.db2.gz	LUFIIMXNFPDAKA-ZDUSSCGKSA-N	-1	0	394.365	0.104	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-]	ZINC000424392596	1194809132	/nfs/dbraw/zinc/80/91/32/1194809132.db2.gz	PQCLITVDWDIPTH-JTQLQIEISA-N	-1	0	397.369	0.166	20	5		GCBDRM
Cc1ccc([C@@H](C)NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000424416480	1194811387	/nfs/dbraw/zinc/81/13/87/1194811387.db2.gz	UXFQLXMNGBKJER-ZWNOBZJWSA-N	-1	0	385.398	0.857	20	5		GCBDRM
CC(C)(CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000424480705	1194814782	/nfs/dbraw/zinc/81/47/82/1194814782.db2.gz	GQHVDYWXHQTEBT-UHFFFAOYSA-N	-1	0	379.369	0.802	20	5		GCBDRM
CC(C)(CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC000424489615	1194816295	/nfs/dbraw/zinc/81/62/95/1194816295.db2.gz	RDDIVYZLWBTZRA-UHFFFAOYSA-N	-1	0	393.400	0.256	20	5		GCBDRM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000505488272	1194862956	/nfs/dbraw/zinc/86/29/56/1194862956.db2.gz	MHXRXDCUTWURSE-NSHDSACASA-N	-1	0	385.398	0.066	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccnc2N2CCOCC2)c([N+](=O)[O-])n1	ZINC000435947466	1194975934	/nfs/dbraw/zinc/97/59/34/1194975934.db2.gz	FEPRSQYUYCPGKG-UHFFFAOYSA-N	-1	0	382.402	0.844	20	5		GCBDRM
CCC(CC)(NC(=O)C1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1)C(N)=O	ZINC000436701825	1195026957	/nfs/dbraw/zinc/02/69/57/1195026957.db2.gz	BUBWXEIDIYMFRT-UHFFFAOYSA-N	-1	0	378.385	0.533	20	5		GCBDRM
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000436707767	1195028163	/nfs/dbraw/zinc/02/81/63/1195028163.db2.gz	YTTYSHURGLGIKL-UHFFFAOYSA-N	-1	0	385.336	0.807	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436772302	1195034299	/nfs/dbraw/zinc/03/42/99/1195034299.db2.gz	DRCZBHVTMSJVHB-GFCCVEGCSA-N	-1	0	386.430	0.691	20	5		GCBDRM
CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1O	ZINC000436766411	1195036463	/nfs/dbraw/zinc/03/64/63/1195036463.db2.gz	CRRZXMWERZRVBV-UKRRQHHQSA-N	-1	0	395.412	0.759	20	5		GCBDRM
O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1)N1CCCC1	ZINC000436883262	1195044787	/nfs/dbraw/zinc/04/47/87/1195044787.db2.gz	CNBBHOZGLHRJPB-UHFFFAOYSA-N	-1	0	376.369	0.207	20	5		GCBDRM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436953475	1195051116	/nfs/dbraw/zinc/05/11/16/1195051116.db2.gz	PTSNHDIGSDUQIX-JTQLQIEISA-N	-1	0	385.398	0.066	20	5		GCBDRM
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000436989151	1195053781	/nfs/dbraw/zinc/05/37/81/1195053781.db2.gz	YRQXOXYFIWJQJZ-ZDUSSCGKSA-N	-1	0	392.412	0.306	20	5		GCBDRM
CS(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC2	ZINC000506640465	1195340098	/nfs/dbraw/zinc/34/00/98/1195340098.db2.gz	ZQFRMLGXBHWDGE-UHFFFAOYSA-N	-1	0	399.410	0.722	20	5		GCBDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1[N+](=O)[O-]	ZINC000473728554	1195450504	/nfs/dbraw/zinc/45/05/04/1195450504.db2.gz	JNYJBEIIXOEPDT-SMDDNHRTSA-N	-1	0	387.352	0.783	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000507351556	1195513054	/nfs/dbraw/zinc/51/30/54/1195513054.db2.gz	DUGQVCVEYGDHPU-UONOGXRCSA-N	-1	0	397.409	0.539	20	5		GCBDRM
COCCn1cc(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000507775574	1195781486	/nfs/dbraw/zinc/78/14/86/1195781486.db2.gz	OLSUXQDURNDPSG-UHFFFAOYSA-N	-1	0	384.370	0.614	20	5		GCBDRM
CC(C)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000428039288	1195905181	/nfs/dbraw/zinc/90/51/81/1195905181.db2.gz	DJJFSLXHVPIGEK-ZDUSSCGKSA-N	-1	0	387.414	0.879	20	5		GCBDRM
Cc1cc(=O)c(C(=O)N(C)C[C@H](C)c2nnn[n-]2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000544687362	1196053048	/nfs/dbraw/zinc/05/30/48/1196053048.db2.gz	WFMHDJIAPOQHOB-JTQLQIEISA-N	-1	0	398.383	0.838	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262225425	1196088844	/nfs/dbraw/zinc/08/88/44/1196088844.db2.gz	RNWAOMVMAYKGCG-NSHDSACASA-N	-1	0	379.369	0.999	20	5		GCBDRM
CNS(=O)(=O)c1ccc(N2CCC(c3nc(=O)[n-][nH]3)CC2)c([N+](=O)[O-])c1	ZINC000281060967	1196274245	/nfs/dbraw/zinc/27/42/45/1196274245.db2.gz	YUQWYJJZALVHKL-UHFFFAOYSA-N	-1	0	382.402	0.298	20	5		GCBDRM
COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3[nH]nc(C)c3[N+](=O)[O-])C2=O)c1	ZINC000281125249	1196278803	/nfs/dbraw/zinc/27/88/03/1196278803.db2.gz	ILRZMSFUOIDWSL-MRXNPFEDSA-N	-1	0	388.340	0.747	20	5		GCBDRM
COc1cc(OCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000281286138	1196287791	/nfs/dbraw/zinc/28/77/91/1196287791.db2.gz	DZQBEEVIFZOGGJ-LBPRGKRZSA-N	-1	0	397.384	0.714	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)ccc1[N+](=O)[O-]	ZINC000523730792	1196554600	/nfs/dbraw/zinc/55/46/00/1196554600.db2.gz	KDUSICWHQATCCX-UHFFFAOYSA-N	-1	0	392.393	0.919	20	5		GCBDRM
COC[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)[O-]	ZINC000449005335	1196846413	/nfs/dbraw/zinc/84/64/13/1196846413.db2.gz	UUKARXKBELLLCF-JTQLQIEISA-N	-1	0	376.325	0.279	20	5		GCBDRM
NC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1	ZINC000530474058	1196990505	/nfs/dbraw/zinc/99/05/05/1196990505.db2.gz	BQSGPUOXKNVHDS-CYBMUJFWSA-N	-1	0	379.350	0.798	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)ccc1[N+](=O)[O-]	ZINC000530542258	1196994334	/nfs/dbraw/zinc/99/43/34/1196994334.db2.gz	YFMTUWSNDLZHHE-CYBMUJFWSA-N	-1	0	384.370	0.750	20	5		GCBDRM
CC[C@H](C)N(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262787409	1197162719	/nfs/dbraw/zinc/16/27/19/1197162719.db2.gz	QRNWOWJVMJFXIA-NSHDSACASA-N	-1	0	387.414	0.975	20	5		GCBDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000263376135	1197262658	/nfs/dbraw/zinc/26/26/58/1197262658.db2.gz	WPIDNAMNEJIDJI-QWRGUYRKSA-N	-1	0	385.398	0.442	20	5		GCBDRM
COc1cc2c(cc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)OCO2	ZINC000760250394	1197270808	/nfs/dbraw/zinc/27/08/08/1197270808.db2.gz	ZBXSIKJORSRBPL-UHFFFAOYSA-N	-1	0	381.322	0.846	20	5		GCBDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000263203817	1197542444	/nfs/dbraw/zinc/54/24/44/1197542444.db2.gz	MRFMYCJNYMEAGJ-NEPJUHHUSA-N	-1	0	399.425	0.927	20	5		GCBDRM
O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000476012546	1197571054	/nfs/dbraw/zinc/57/10/54/1197571054.db2.gz	RITXCSIDDJXPOD-UHFFFAOYSA-N	-1	0	398.375	0.802	20	5		GCBDRM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000273435408	1198994824	/nfs/dbraw/zinc/99/48/24/1198994824.db2.gz	ZRLLQGHWLXGSSZ-JTQLQIEISA-N	-1	0	396.381	0.404	20	5		GCBDRM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000273435409	1198995020	/nfs/dbraw/zinc/99/50/20/1198995020.db2.gz	ZRLLQGHWLXGSSZ-SNVBAGLBSA-N	-1	0	396.381	0.404	20	5		GCBDRM
COCc1nc(=NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)s[n-]1	ZINC000543173527	1199558753	/nfs/dbraw/zinc/55/87/53/1199558753.db2.gz	SPZWSCSUYMLJKV-QMMMGPOBSA-N	-1	0	381.370	0.851	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@]12CCOC2	ZINC000766012980	1199917307	/nfs/dbraw/zinc/91/73/07/1199917307.db2.gz	MJWMDSLVSCAAKV-ZBFHGGJFSA-N	-1	0	384.410	0.890	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCN2CCN(c3ncccn3)CC2)n1	ZINC000570970378	1200747749	/nfs/dbraw/zinc/74/77/49/1200747749.db2.gz	MEBZLRHMTVOBAP-UHFFFAOYSA-N	-1	0	387.400	1.021	20	5		GCBDRM
COC(=O)[C@](C)([N-]S(=O)(=O)c1c(C)onc1N)c1cccc([N+](=O)[O-])c1	ZINC000599486536	1201081440	/nfs/dbraw/zinc/08/14/40/1201081440.db2.gz	KATWNIKQYXVJHA-CQSZACIVSA-N	-1	0	384.370	0.840	20	5		GCBDRM
O=C1CN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cn2)CCN1	ZINC000730441237	1201449286	/nfs/dbraw/zinc/44/92/86/1201449286.db2.gz	YCFMBLKCXWBXRN-UHFFFAOYSA-N	-1	0	395.372	0.866	20	5		GCBDRM
C[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000730656650	1201459385	/nfs/dbraw/zinc/45/93/85/1201459385.db2.gz	ITJLRSBJMPKDOE-SECBINFHSA-N	-1	0	386.324	0.550	20	5		GCBDRM
CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000732493802	1201545824	/nfs/dbraw/zinc/54/58/24/1201545824.db2.gz	VULOOMNLXLNDDF-SREVYHEPSA-N	-1	0	390.377	0.868	20	5		GCBDRM
O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733724338	1201605766	/nfs/dbraw/zinc/60/57/66/1201605766.db2.gz	SCKUTTIENLWALN-UWVGGRQHSA-N	-1	0	387.370	0.027	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000734087236	1201641762	/nfs/dbraw/zinc/64/17/62/1201641762.db2.gz	BBYMGYHOVZUBBC-UHFFFAOYSA-N	-1	0	396.381	0.793	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000734090195	1201642152	/nfs/dbraw/zinc/64/21/52/1201642152.db2.gz	RDRJIMLOZQRNPM-UHFFFAOYSA-N	-1	0	390.370	0.625	20	5		GCBDRM
O=C(Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000735403408	1201687943	/nfs/dbraw/zinc/68/79/43/1201687943.db2.gz	IALBFWMBWHPRAV-UHFFFAOYSA-N	-1	0	389.389	0.928	20	5		GCBDRM
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000735775920	1201700658	/nfs/dbraw/zinc/70/06/58/1201700658.db2.gz	RXVRGPRFFGIRGT-LLVKDONJSA-N	-1	0	386.386	0.179	20	5		GCBDRM
Cn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C(N)=O	ZINC000740528374	1201748069	/nfs/dbraw/zinc/74/80/69/1201748069.db2.gz	JHLUKFPYTBUJFQ-UHFFFAOYSA-N	-1	0	394.409	0.815	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000741113845	1201757736	/nfs/dbraw/zinc/75/77/36/1201757736.db2.gz	UNQVPWUFPBXISC-UHFFFAOYSA-N	-1	0	390.381	0.872	20	5		GCBDRM
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1	ZINC000744059029	1201833903	/nfs/dbraw/zinc/83/39/03/1201833903.db2.gz	KFYLRYANXRMBEO-UHFFFAOYSA-N	-1	0	385.398	0.763	20	5		GCBDRM
Cn1c(C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)ccc1[N+](=O)[O-]	ZINC000744953038	1201859375	/nfs/dbraw/zinc/85/93/75/1201859375.db2.gz	QYJJUNUTTXWKFW-UHFFFAOYSA-N	-1	0	381.370	0.220	20	5		GCBDRM
COc1ccc(OCCOC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c([N+](=O)[O-])c1	ZINC000744987221	1201861228	/nfs/dbraw/zinc/86/12/28/1201861228.db2.gz	LQJCVJSGDSZLRL-UHFFFAOYSA-N	-1	0	389.324	0.610	20	5		GCBDRM
NS(=O)(=O)c1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000746307319	1201906318	/nfs/dbraw/zinc/90/63/18/1201906318.db2.gz	ZCWISGDDBQFGCL-UHFFFAOYSA-N	-1	0	379.350	0.870	20	5		GCBDRM
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)Cc1cccnc1	ZINC000766903522	1201962225	/nfs/dbraw/zinc/96/22/25/1201962225.db2.gz	PVQUESYRBASGSW-UHFFFAOYSA-N	-1	0	375.366	0.986	20	5		GCBDRM
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)Cc1cccnc1	ZINC000766907633	1201962307	/nfs/dbraw/zinc/96/23/07/1201962307.db2.gz	BAZUTMATQSHELM-UHFFFAOYSA-N	-1	0	378.366	0.366	20	5		GCBDRM
COCCCCS(=O)(=O)[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000766969065	1201963747	/nfs/dbraw/zinc/96/37/47/1201963747.db2.gz	ZYPGXYSAMNIUJN-UHFFFAOYSA-N	-1	0	383.386	0.662	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000768829980	1202035198	/nfs/dbraw/zinc/03/51/98/1202035198.db2.gz	LILFNAJDDVEWLS-UHFFFAOYSA-N	-1	0	393.377	0.838	20	5		GCBDRM
Cn1c(=O)c2cc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cnc2n(C)c1=O	ZINC000768861475	1202037862	/nfs/dbraw/zinc/03/78/62/1202037862.db2.gz	HQPZAMGRCMFCGZ-UHFFFAOYSA-N	-1	0	397.394	0.403	20	5		GCBDRM
CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000768928581	1202038940	/nfs/dbraw/zinc/03/89/40/1202038940.db2.gz	SNDPWHHBFBFIOS-UHFFFAOYSA-N	-1	0	386.430	0.645	20	5		GCBDRM
CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1	ZINC000770127836	1202086533	/nfs/dbraw/zinc/08/65/33/1202086533.db2.gz	JUSBBVOEWSTSNI-UHFFFAOYSA-N	-1	0	384.414	0.343	20	5		GCBDRM
CCCN(C)S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000770617828	1202105507	/nfs/dbraw/zinc/10/55/07/1202105507.db2.gz	GRBIBGLXDPPZAK-UHFFFAOYSA-N	-1	0	386.386	0.023	20	5		GCBDRM
O=C(CCNC(=O)c1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770772567	1202110709	/nfs/dbraw/zinc/11/07/09/1202110709.db2.gz	NJYKOZRVFYZVPU-UHFFFAOYSA-N	-1	0	385.329	0.952	20	5		GCBDRM
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cn1	ZINC000770774781	1202110997	/nfs/dbraw/zinc/11/09/97/1202110997.db2.gz	FYZLKMYUQGQNAV-UHFFFAOYSA-N	-1	0	382.329	0.607	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1	ZINC000770809062	1202114405	/nfs/dbraw/zinc/11/44/05/1202114405.db2.gz	OQMSULZJMZSBIO-UHFFFAOYSA-N	-1	0	396.381	0.371	20	5		GCBDRM
O=C([N-]OC1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000772707583	1205404863	/nfs/dbraw/zinc/40/48/63/1205404863.db2.gz	PPZLAMFNNIQWIG-OAHLLOKOSA-N	-1	0	399.425	0.975	20	5		GCBDRM
COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)Cn2ccc([N+](=O)[O-])n2)cc1	ZINC000788068229	1205413448	/nfs/dbraw/zinc/41/34/48/1205413448.db2.gz	MEYPNDDHJIMOGW-UHFFFAOYSA-N	-1	0	383.342	0.051	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000789487605	1205441259	/nfs/dbraw/zinc/44/12/59/1205441259.db2.gz	WZFDPAPMIAQSML-UHFFFAOYSA-N	-1	0	383.342	0.903	20	5		GCBDRM
COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)c1	ZINC000789572019	1205442565	/nfs/dbraw/zinc/44/25/65/1205442565.db2.gz	QHBSJPRVYTYEOK-UHFFFAOYSA-N	-1	0	381.366	0.980	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)cc1[N+](=O)[O-]	ZINC000793313519	1205497974	/nfs/dbraw/zinc/49/79/74/1205497974.db2.gz	FYHHKWNGDIZXKB-UHFFFAOYSA-N	-1	0	399.406	0.653	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc(F)c2ncccc12	ZINC000747347556	1205566108	/nfs/dbraw/zinc/56/61/08/1205566108.db2.gz	FODGYUMFSYSOBT-UHFFFAOYSA-N	-1	0	379.329	0.984	20	5		GCBDRM
Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC2	ZINC000810634496	1205640815	/nfs/dbraw/zinc/64/08/15/1205640815.db2.gz	SSZKGKDCRLYFRH-QMMMGPOBSA-N	-1	0	383.361	0.472	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)ccc1[N+](=O)[O-]	ZINC000810629374	1205640878	/nfs/dbraw/zinc/64/08/78/1205640878.db2.gz	GIGBJUPRSOJPKH-VIFPVBQESA-N	-1	0	395.397	0.342	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cnn1C	ZINC000813955166	1205681990	/nfs/dbraw/zinc/68/19/90/1205681990.db2.gz	AYOWBJALVCKMKI-UHFFFAOYSA-N	-1	0	391.369	0.336	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000813945202	1205682519	/nfs/dbraw/zinc/68/25/19/1205682519.db2.gz	FECUSGDGKGUREV-QPJJXVBHSA-N	-1	0	382.398	0.133	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cnc(OC)nc2)c([N+](=O)[O-])c1	ZINC000773943014	1205849455	/nfs/dbraw/zinc/84/94/55/1205849455.db2.gz	LAEPHAZDGLMZAL-ZZXKWVIFSA-N	-1	0	394.365	0.920	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)CCCCc2c[nH]nn2)ccc1[N+](=O)[O-]	ZINC000774137418	1205862554	/nfs/dbraw/zinc/86/25/54/1205862554.db2.gz	IKIXJVLJYAIADH-UHFFFAOYSA-N	-1	0	383.386	0.939	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000874965676	939266194	/nfs/dbraw/zinc/26/61/94/939266194.db2.gz	CGQIUNPKMHKJDK-OAHLLOKOSA-N	-1	0	392.324	0.470	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000874968267	939266610	/nfs/dbraw/zinc/26/66/10/939266610.db2.gz	IPAZPAJUWDGLKG-UHFFFAOYSA-N	-1	0	382.325	0.545	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCO2	ZINC000562648951	939336838	/nfs/dbraw/zinc/33/68/38/939336838.db2.gz	WXMVIZHINCBSBK-AWEZNQCLSA-N	-1	0	375.341	0.851	20	5		GCBDRM
C[C@@](NC(=O)C1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600877155	939806013	/nfs/dbraw/zinc/80/60/13/939806013.db2.gz	RYVSBGFWXUDBJO-INIZCTEOSA-N	-1	0	399.425	0.682	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-]	ZINC000826272267	947789807	/nfs/dbraw/zinc/78/98/07/947789807.db2.gz	BBSNLKJBGFZYIK-UHFFFAOYSA-N	-1	0	377.342	0.530	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-]	ZINC001602757111	971470439	/nfs/dbraw/zinc/47/04/39/971470439.db2.gz	BHPUWPATEROMAB-VIFPVBQESA-N	-1	0	391.377	0.642	20	5		GCBDRM
Cn1cc(S(=O)(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C(=O)[O-]	ZINC000373206967	971559272	/nfs/dbraw/zinc/55/92/72/971559272.db2.gz	VIHXNPBCUBSJPZ-UHFFFAOYSA-N	-1	0	383.386	0.854	20	5		GCBDRM
O=C([O-])[C@]1(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCCO1	ZINC001595278109	949949878	/nfs/dbraw/zinc/94/98/78/949949878.db2.gz	GDFWBWGHSOZYEW-QGZVFWFLSA-N	-1	0	377.353	0.513	20	5		GCBDRM
CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262845463	950173307	/nfs/dbraw/zinc/17/33/07/950173307.db2.gz	DZVBRNYPVZFPJI-GFCCVEGCSA-N	-1	0	399.425	0.929	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1	ZINC000263002707	950211619	/nfs/dbraw/zinc/21/16/19/950211619.db2.gz	MKKVHOIAOOOUSO-KRWDZBQOSA-N	-1	0	393.352	0.270	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C	ZINC000263074761	950247947	/nfs/dbraw/zinc/24/79/47/950247947.db2.gz	CLADNJSIEYCPCH-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1=O	ZINC001595097060	951826319	/nfs/dbraw/zinc/82/63/19/951826319.db2.gz	UBGBBVDLMAKNPJ-LLVKDONJSA-N	-1	0	389.361	0.478	20	5		GCBDRM
O=C([O-])Cn1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1=O	ZINC001595155615	952165614	/nfs/dbraw/zinc/16/56/14/952165614.db2.gz	ZUALOGVUWRGXJW-UHFFFAOYSA-N	-1	0	386.364	0.804	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1	ZINC001589269066	953395788	/nfs/dbraw/zinc/39/57/88/953395788.db2.gz	PGCDNJMORYLPEU-ZJUUUORDSA-N	-1	0	375.337	0.760	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000566235466	953624327	/nfs/dbraw/zinc/62/43/27/953624327.db2.gz	UBYXKLAAGKCQJA-BXUZGUMPSA-N	-1	0	399.425	0.785	20	5		GCBDRM
CN(C)c1cc(F)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001593710641	954184008	/nfs/dbraw/zinc/18/40/08/954184008.db2.gz	IFNHVLIVGHNMQX-LBPRGKRZSA-N	-1	0	389.361	0.124	20	5		GCBDRM
O=C([O-])C1=NO[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC001594893708	954553988	/nfs/dbraw/zinc/55/39/88/954553988.db2.gz	WRNMCCQHWNGHBJ-CYBMUJFWSA-N	-1	0	376.325	0.109	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	ZINC001594959999	955005648	/nfs/dbraw/zinc/00/56/48/955005648.db2.gz	MEYVOIFJCSLPSB-JTQLQIEISA-N	-1	0	396.299	0.937	20	5		GCBDRM
Cc1c(C(=O)OCc2cn(CC(=O)[O-])nn2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000820940661	955483832	/nfs/dbraw/zinc/48/38/32/955483832.db2.gz	RQUQOXCZVOOPHE-UHFFFAOYSA-N	-1	0	387.312	0.517	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001589184479	956552619	/nfs/dbraw/zinc/55/26/19/956552619.db2.gz	XKQWUDLVEVBSLH-HNNXBMFYSA-N	-1	0	385.398	0.729	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)C2	ZINC001594667024	956585577	/nfs/dbraw/zinc/58/55/77/956585577.db2.gz	ALLAZAWBTDPSMU-NCHVAJSOSA-N	-1	0	375.337	0.647	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1	ZINC001593981981	956718744	/nfs/dbraw/zinc/71/87/44/956718744.db2.gz	DOGNAIJQILGMPG-YOEHRIQHSA-N	-1	0	379.369	0.502	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC001594002496	956941535	/nfs/dbraw/zinc/94/15/35/956941535.db2.gz	NUOMXGNSEYRBGD-NSHDSACASA-N	-1	0	383.357	0.742	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC001574753104	957726160	/nfs/dbraw/zinc/72/61/60/957726160.db2.gz	VSQINZUDUQRKCT-HNNXBMFYSA-N	-1	0	398.441	0.506	20	5		GCBDRM
O=C([O-])[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC001574784570	957786855	/nfs/dbraw/zinc/78/68/55/957786855.db2.gz	MEOXTQCBKAVJLR-PHIMTYICSA-N	-1	0	385.398	0.891	20	5		GCBDRM
O=C([O-])[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCO1	ZINC001574825111	957927309	/nfs/dbraw/zinc/92/73/09/957927309.db2.gz	JMYASCOPLBQBGY-QGZVFWFLSA-N	-1	0	377.353	0.513	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])C3CC3)CC2)c([N+](=O)[O-])c1	ZINC001594173665	959017944	/nfs/dbraw/zinc/01/79/44/959017944.db2.gz	NMVFESHSFSNHAW-OAHLLOKOSA-N	-1	0	383.426	0.984	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CCN([C@H](C(=O)[O-])C3CC3)CC2)c([N+](=O)[O-])c1	ZINC001594173664	959017973	/nfs/dbraw/zinc/01/79/73/959017973.db2.gz	NMVFESHSFSNHAW-HNNXBMFYSA-N	-1	0	383.426	0.984	20	5		GCBDRM
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001594469258	959536911	/nfs/dbraw/zinc/53/69/11/959536911.db2.gz	FJTOUXDQJPYCTP-LLVKDONJSA-N	-1	0	379.373	0.024	20	5		GCBDRM
O=C([O-])C1(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1	ZINC001574531601	961901532	/nfs/dbraw/zinc/90/15/32/961901532.db2.gz	NHWCBMVNPLIBAI-UHFFFAOYSA-N	-1	0	385.760	0.728	20	5		GCBDRM
Cc1c(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000263160868	962311198	/nfs/dbraw/zinc/31/11/98/962311198.db2.gz	ZSZXYBGDEMZFNX-MRXNPFEDSA-N	-1	0	375.341	0.848	20	5		GCBDRM
Cc1c(C(=O)N[C@]2(CC(=O)[O-])CCOC2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000263160865	962312341	/nfs/dbraw/zinc/31/23/41/962312341.db2.gz	ZSZXYBGDEMZFNX-INIZCTEOSA-N	-1	0	375.341	0.848	20	5		GCBDRM
O=C([O-])[C@@]1(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCOC1	ZINC001348423413	962439686	/nfs/dbraw/zinc/43/96/86/962439686.db2.gz	QOCJBFXCTPIFLC-OAHLLOKOSA-N	-1	0	385.398	0.145	20	5		GCBDRM
O=C([O-])[C@]1(N2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CCOC1	ZINC001348482098	962444246	/nfs/dbraw/zinc/44/42/46/962444246.db2.gz	PMXXNAGTBWZLBI-KRWDZBQOSA-N	-1	0	379.369	0.362	20	5		GCBDRM
O=C([O-])[C@H]1CCCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263303947	962444540	/nfs/dbraw/zinc/44/45/40/962444540.db2.gz	XKKLZFIDFBLDJW-NSHDSACASA-N	-1	0	385.398	0.875	20	5		GCBDRM
C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C(=O)[O-]	ZINC000262834743	967828835	/nfs/dbraw/zinc/82/88/35/967828835.db2.gz	CNFQKVODTQUNEH-PWSUYJOCSA-N	-1	0	377.353	0.889	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000422595867	968349526	/nfs/dbraw/zinc/34/95/26/968349526.db2.gz	QZEGUQUKVOGAHQ-VXGBXAGGSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC000566561017	968429172	/nfs/dbraw/zinc/42/91/72/968429172.db2.gz	BSEQVHUMCWKWMZ-RISCZKNCSA-N	-1	0	399.425	0.832	20	5		GCBDRM
CC1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000611478109	968508583	/nfs/dbraw/zinc/50/85/83/968508583.db2.gz	FYFVQOZNEHZZKV-UHFFFAOYSA-N	-1	0	399.425	0.977	20	5		GCBDRM
O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1	ZINC000849218855	969272228	/nfs/dbraw/zinc/27/22/28/969272228.db2.gz	KLVGMQPTPSRFAE-VIFPVBQESA-N	-1	0	385.354	0.647	20	5		GCBDRM
O=C([O-])C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)CC1	ZINC001605916839	972797023	/nfs/dbraw/zinc/79/70/23/972797023.db2.gz	DJQOQESGNGMXOF-UHFFFAOYSA-N	-1	0	382.394	0.759	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1	ZINC001604558272	973605626	/nfs/dbraw/zinc/60/56/26/973605626.db2.gz	NIULDZJWEWRVTO-QGZVFWFLSA-N	-1	0	379.369	0.286	20	5		GCBDRM
O=C([O-])CNC(=O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC001606264719	973631539	/nfs/dbraw/zinc/63/15/39/973631539.db2.gz	YBGVCBWNLKPOSE-UHFFFAOYSA-N	-1	0	376.373	0.184	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC001604762789	973979749	/nfs/dbraw/zinc/97/97/49/973979749.db2.gz	RYEZECFWDHCSCX-JQWIXIFHSA-N	-1	0	379.369	0.902	20	5		GCBDRM
O=C([O-])[C@]1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1	ZINC001605698446	974116991	/nfs/dbraw/zinc/11/69/91/974116991.db2.gz	CZDZXIMQJAXBNT-KRWDZBQOSA-N	-1	0	378.385	0.077	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](n2ccnn2)C1	ZINC000563070916	974512326	/nfs/dbraw/zinc/51/23/26/974512326.db2.gz	NXNINWZVVQEYHJ-NSHDSACASA-N	-1	0	381.370	0.910	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000565949238	974591712	/nfs/dbraw/zinc/59/17/12/974591712.db2.gz	MZIKUMABVNVCLI-MEBBXXQBSA-N	-1	0	386.382	0.909	20	5		GCBDRM
O=C([O-])c1cnc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c([N+](=O)[O-])c1	ZINC000568399164	974670199	/nfs/dbraw/zinc/67/01/99/974670199.db2.gz	BVDKWTYDLGWLET-SNVBAGLBSA-N	-1	0	384.414	0.986	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCN(S(=O)(=O)N(C)C)CC2)n1	ZINC000570166375	974706246	/nfs/dbraw/zinc/70/62/46/974706246.db2.gz	NUVYKKZQRUBAOB-UHFFFAOYSA-N	-1	0	387.418	0.315	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1	ZINC000575431295	974800020	/nfs/dbraw/zinc/80/00/20/974800020.db2.gz	ZXOQDNUKQPPZOT-ZIAGYGMSSA-N	-1	0	379.369	0.805	20	5		GCBDRM
CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC000577104911	974828509	/nfs/dbraw/zinc/82/85/09/974828509.db2.gz	FHBUHXINQOINLW-UHFFFAOYSA-N	-1	0	386.386	0.329	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000590600651	974969233	/nfs/dbraw/zinc/96/92/33/974969233.db2.gz	LAOMYXYAEBCGMD-LBPRGKRZSA-N	-1	0	381.366	0.973	20	5		GCBDRM
O=C([O-])c1cn([C@@H]2CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)nn1	ZINC000592448416	974975185	/nfs/dbraw/zinc/97/51/85/974975185.db2.gz	CLFMOEXAZWEYGB-LLVKDONJSA-N	-1	0	381.370	0.910	20	5		GCBDRM
CO[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C(=O)[O-])C1	ZINC000595246473	974993592	/nfs/dbraw/zinc/99/35/92/974993592.db2.gz	BLORCYHZMLVAFH-JSGCOSHPSA-N	-1	0	375.341	0.880	20	5		GCBDRM
CO[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C(=O)[O-])C1	ZINC000595246472	974993902	/nfs/dbraw/zinc/99/39/02/974993902.db2.gz	BLORCYHZMLVAFH-GXTWGEPZSA-N	-1	0	375.341	0.880	20	5		GCBDRM
CC(C)(C(=O)[O-])N1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1	ZINC000600658256	975003936	/nfs/dbraw/zinc/00/39/36/975003936.db2.gz	ZXBNYAZOIXNHJI-UHFFFAOYSA-N	-1	0	385.442	0.948	20	5		GCBDRM
C[C@](CC(=O)[O-])(NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1	ZINC001592282884	977590575	/nfs/dbraw/zinc/59/05/75/977590575.db2.gz	QVCOROUHBRFXDX-QGZVFWFLSA-N	-1	0	375.337	0.950	20	5		GCBDRM
Cc1nc(CN2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)no1	ZINC000738351799	978523044	/nfs/dbraw/zinc/52/30/44/978523044.db2.gz	FPWSCBDZXCFZCY-UHFFFAOYSA-N	-1	0	375.341	0.942	20	5		GCBDRM
COc1cc(OCC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)ccc1[N+](=O)[O-]	ZINC000818316387	978912102	/nfs/dbraw/zinc/91/21/02/978912102.db2.gz	DSIAHXRCDXVNBF-JTQLQIEISA-N	-1	0	391.340	0.746	20	5		GCBDRM
CC[C@](C)(CC(=O)[O-])NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000828623164	978985918	/nfs/dbraw/zinc/98/59/18/978985918.db2.gz	IQBPRHKIJULCMS-OAHLLOKOSA-N	-1	0	387.414	0.975	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000830062846	979012294	/nfs/dbraw/zinc/01/22/94/979012294.db2.gz	NNWUNSUYWRKCIR-ZUZCIYMTSA-N	-1	0	386.382	0.715	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000830062930	979012323	/nfs/dbraw/zinc/01/23/23/979012323.db2.gz	UTTUVFHTLCKXEV-ZUZCIYMTSA-N	-1	0	386.382	0.715	20	5		GCBDRM
O=C([O-])CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCOCC1	ZINC000833244611	979127166	/nfs/dbraw/zinc/12/71/66/979127166.db2.gz	JYKULKMJWZEOOH-UHFFFAOYSA-N	-1	0	379.325	0.595	20	5		GCBDRM
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[C@@H](C(=O)[O-])O1	ZINC000864172614	979805205	/nfs/dbraw/zinc/80/52/05/979805205.db2.gz	WNBGRRAFFNAETL-ABAIWWIYSA-N	-1	0	379.369	0.746	20	5		GCBDRM
CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001595401379	980975781	/nfs/dbraw/zinc/97/57/81/980975781.db2.gz	ISSBMNPSNBDGIQ-LBPRGKRZSA-N	-1	0	385.398	0.924	20	5		GCBDRM
CCCN1C[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1=O	ZINC001595900582	982952733	/nfs/dbraw/zinc/95/27/33/982952733.db2.gz	AGJIXFZOWDMOQB-JTQLQIEISA-N	-1	0	385.398	0.830	20	5		GCBDRM
CCN1C[C@H](S(=O)(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1=O	ZINC001596402256	983955504	/nfs/dbraw/zinc/95/55/04/983955504.db2.gz	LWFDXIQNMBCNFU-IUODEOHRSA-N	-1	0	385.398	0.435	20	5		GCBDRM
CCNC(=O)N1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001596468207	984187820	/nfs/dbraw/zinc/18/78/20/984187820.db2.gz	GYFFNIXJAHPNGT-UHFFFAOYSA-N	-1	0	379.373	0.261	20	5		GCBDRM
C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)C(=O)[O-]	ZINC001599916861	985069924	/nfs/dbraw/zinc/06/99/24/985069924.db2.gz	OOEMFAUGWGIZTE-ZBEGNZNMSA-N	-1	0	399.425	0.832	20	5		GCBDRM
CC(=O)N1CCC(NC(=O)CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1	ZINC001589065655	985198843	/nfs/dbraw/zinc/19/88/43/985198843.db2.gz	ZYVCJHXHWNUUGL-SFHVURJKSA-N	-1	0	392.412	0.611	20	5		GCBDRM
CC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1	ZINC001589069843	985209552	/nfs/dbraw/zinc/20/95/52/985209552.db2.gz	HRVZWHSQDSDUAL-NSHDSACASA-N	-1	0	385.398	0.830	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)NCCOCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001589085342	985257150	/nfs/dbraw/zinc/25/71/50/985257150.db2.gz	QBJQUMWUQBATBE-UHFFFAOYSA-N	-1	0	394.384	0.094	20	5		GCBDRM
CCOCCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC001596929214	986011925	/nfs/dbraw/zinc/01/19/25/986011925.db2.gz	SQABVVHAUUFPGD-UHFFFAOYSA-N	-1	0	387.414	0.636	20	5		GCBDRM
C[C@H]1CN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@@H](C)CO1	ZINC001594532265	986130893	/nfs/dbraw/zinc/13/08/93/986130893.db2.gz	VRLBJGZGMAQUQV-QWRGUYRKSA-N	-1	0	387.414	0.681	20	5		GCBDRM
C[C@@H](C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001589369371	986414415	/nfs/dbraw/zinc/41/44/15/986414415.db2.gz	PYZWQYKWRYAPLU-ICCXJUOJSA-N	-1	0	390.352	0.304	20	5		GCBDRM
CCOc1cc(N2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC001597042466	986494381	/nfs/dbraw/zinc/49/43/81/986494381.db2.gz	SAPJTLGQTZXLIL-LBPRGKRZSA-N	-1	0	380.401	0.705	20	5		GCBDRM
C[C@@H]1OCC[C@@]12CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CCO2	ZINC001594644034	986829916	/nfs/dbraw/zinc/82/99/16/986829916.db2.gz	ZWAYJLQIVGJGRC-ZUZCIYMTSA-N	-1	0	386.382	0.862	20	5		GCBDRM
C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC001594656000	986900950	/nfs/dbraw/zinc/90/09/50/986900950.db2.gz	FRJFUCROBULIFA-MRCXROJRSA-N	-1	0	397.409	0.509	20	5		GCBDRM
C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC001594657912	986923068	/nfs/dbraw/zinc/92/30/68/986923068.db2.gz	JYFAOOUACLHHMA-GWCFXTLKSA-N	-1	0	396.425	0.888	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001597563866	988319753	/nfs/dbraw/zinc/31/97/53/988319753.db2.gz	YLVQVONYFDBAGF-CQSZACIVSA-N	-1	0	379.369	0.780	20	5		GCBDRM
CN(C)S(=O)(=O)c1ccc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1	ZINC001598275518	991144365	/nfs/dbraw/zinc/14/43/65/991144365.db2.gz	DYPYCMQSAWMWFN-UHFFFAOYSA-N	-1	0	381.366	0.753	20	5		GCBDRM
CN(CC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001598387018	991615386	/nfs/dbraw/zinc/61/53/86/991615386.db2.gz	POTKHASANDMZEH-CHWSQXEVSA-N	-1	0	385.398	0.585	20	5		GCBDRM
CC(C)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1=O	ZINC001591366571	992381488	/nfs/dbraw/zinc/38/14/88/992381488.db2.gz	ZVJXMYQEYLMQHV-UHFFFAOYSA-N	-1	0	385.398	0.782	20	5		GCBDRM
CC(C)N(C[C@@H]1CCC(=O)N1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001591574457	992783762	/nfs/dbraw/zinc/78/37/62/992783762.db2.gz	LQIMYAWBMWSZIL-JTQLQIEISA-N	-1	0	385.398	0.971	20	5		GCBDRM
CN(Cc1cnn(C)c1)C(=O)COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001598533226	992813222	/nfs/dbraw/zinc/81/32/22/992813222.db2.gz	ATTLCKKUYROXNR-UHFFFAOYSA-N	-1	0	376.325	0.842	20	5		GCBDRM
CNC(=O)C1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001598638547	994280056	/nfs/dbraw/zinc/28/00/56/994280056.db2.gz	IPTKEZAQKPICBG-SNVBAGLBSA-N	-1	0	378.385	0.760	20	5		GCBDRM
CNC(=O)NC[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCO1	ZINC001598654000	994491738	/nfs/dbraw/zinc/49/17/38/994491738.db2.gz	YUNLQZLXYALCSL-GFCCVEGCSA-N	-1	0	382.373	0.188	20	5		GCBDRM
COC(=O)[C@@H](C)NC(=O)c1ccc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([N+](=O)[O-])c1	ZINC001598690628	995059194	/nfs/dbraw/zinc/05/91/94/995059194.db2.gz	NNYVHGFBGSPRPA-GJTWSCIVSA-N	-1	0	377.353	0.653	20	5		GCBDRM
C[C@@](O)(Cn1ccccc1=O)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001593426478	995230689	/nfs/dbraw/zinc/23/06/89/995230689.db2.gz	BQNWVOCFAJVRNU-QGZVFWFLSA-N	-1	0	376.321	0.949	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC001598751938	995665869	/nfs/dbraw/zinc/66/58/69/995665869.db2.gz	RGIRXPWBJSPUQD-RISCZKNCSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC001598751940	995665898	/nfs/dbraw/zinc/66/58/98/995665898.db2.gz	RGIRXPWBJSPUQD-SMDDNHRTSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC001598752426	995672268	/nfs/dbraw/zinc/67/22/68/995672268.db2.gz	RMQAGBSKDNCXDZ-IINYFYTJSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC001598758003	995743976	/nfs/dbraw/zinc/74/39/76/995743976.db2.gz	RMRLWPMZUBKFNQ-PWSUYJOCSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC001598784833	996020094	/nfs/dbraw/zinc/02/00/94/996020094.db2.gz	LUPLRSRLQPTBPV-ZYHUDNBSSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC001598786010	996029667	/nfs/dbraw/zinc/02/96/67/996029667.db2.gz	XHQZMLQCNYKGIP-ZWNOBZJWSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC001598793354	996092345	/nfs/dbraw/zinc/09/23/45/996092345.db2.gz	PHSNQIIHRSMNHQ-SMDDNHRTSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@H](C(=O)[O-])C1	ZINC001598795831	996109177	/nfs/dbraw/zinc/10/91/77/996109177.db2.gz	ZUGWRDWULHXRFD-NEPJUHHUSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C(=O)[O-])C1	ZINC001598797180	996116402	/nfs/dbraw/zinc/11/64/02/996116402.db2.gz	CQCVEESXWASLLG-CMPLNLGQSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H]1C(=O)[O-]	ZINC001598814309	996257052	/nfs/dbraw/zinc/25/70/52/996257052.db2.gz	CBXKOINVMACRRG-UWVGGRQHSA-N	-1	0	383.332	0.746	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC001598826560	996389147	/nfs/dbraw/zinc/38/91/47/996389147.db2.gz	NIGUMSJASZBNJW-DTWKUNHWSA-N	-1	0	392.773	0.743	20	5		GCBDRM
COC(=O)COc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC001598867002	996712868	/nfs/dbraw/zinc/71/28/68/996712868.db2.gz	XDWVRHCRLMURRS-MRXNPFEDSA-N	-1	0	382.369	0.804	20	5		GCBDRM
COc1cc(C(=O)O[C@@H]2CCN(CCC(=O)[O-])C2=O)c([N+](=O)[O-])cc1OC	ZINC001599385973	996945843	/nfs/dbraw/zinc/94/58/43/996945843.db2.gz	GDAKQJMLBNEJLH-LLVKDONJSA-N	-1	0	382.325	0.844	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1	ZINC001599079805	996972812	/nfs/dbraw/zinc/97/28/12/996972812.db2.gz	YFMBTDAJLALJOQ-KRWDZBQOSA-N	-1	0	376.369	0.989	20	5		GCBDRM
COC[C@H](OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001599183185	996981291	/nfs/dbraw/zinc/98/12/91/996981291.db2.gz	KCFDVYZZMPMZEW-HNNXBMFYSA-N	-1	0	395.368	0.520	20	5		GCBDRM
CO[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@](C)(C(=O)[O-])C1	ZINC001599133238	997989913	/nfs/dbraw/zinc/98/99/13/997989913.db2.gz	LMHRZNJAUWVIDA-PSLIRLAXSA-N	-1	0	386.382	0.703	20	5		GCBDRM
COCCN1C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1=O	ZINC001599239670	998014854	/nfs/dbraw/zinc/01/48/54/998014854.db2.gz	IHYTVMAKBMOFER-PIGZYNQJSA-N	-1	0	379.369	0.506	20	5		GCBDRM
COCCNC(=O)CN1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001599243202	998086428	/nfs/dbraw/zinc/08/64/28/998086428.db2.gz	ZADSQNHOCKRPCE-UHFFFAOYSA-N	-1	0	380.401	0.107	20	5		GCBDRM
COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1	ZINC001599244135	998108559	/nfs/dbraw/zinc/10/85/59/998108559.db2.gz	VRPWKJNIARDVJF-LLVKDONJSA-N	-1	0	387.414	0.682	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N(C)c2ccccc2C(=O)[O-])c1	ZINC001598955801	998238162	/nfs/dbraw/zinc/23/81/62/998238162.db2.gz	RPCIQQFJALQYNM-UHFFFAOYSA-N	-1	0	389.320	0.904	20	5		GCBDRM
C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1=O	ZINC001594276706	999069508	/nfs/dbraw/zinc/06/95/08/999069508.db2.gz	FMPFOAQMNTZCQP-PTRXPTGYSA-N	-1	0	383.382	0.581	20	5		GCBDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC001599065424	999295534	/nfs/dbraw/zinc/29/55/34/999295534.db2.gz	DXUPCNGWBDSPPU-MGPLVRAMSA-N	-1	0	397.409	0.963	20	5		GCBDRM
O=C1CN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCN1	ZINC000286479269	530154964	/nfs/dbraw/zinc/15/49/64/530154964.db2.gz	PTDODANGXGVYFN-UHFFFAOYSA-N	-1	0	380.785	0.097	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000577735430	530118580	/nfs/dbraw/zinc/11/85/80/530118580.db2.gz	GJHSBVWSQGHRGA-MRVPVSSYSA-N	-1	0	380.400	0.395	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000577956556	530123683	/nfs/dbraw/zinc/12/36/83/530123683.db2.gz	GCZYCPARQHBOTB-QMMMGPOBSA-N	-1	0	380.400	0.395	20	5		GCBDRM
NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)O1	ZINC000286167148	530125798	/nfs/dbraw/zinc/12/57/98/530125798.db2.gz	YIHXHHGYLQPTSH-VXNVDRBHSA-N	-1	0	381.769	0.699	20	5		GCBDRM
NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)O1	ZINC000286167144	530125916	/nfs/dbraw/zinc/12/59/16/530125916.db2.gz	YIHXHHGYLQPTSH-CBAPKCEASA-N	-1	0	381.769	0.699	20	5		GCBDRM
CCOC(=O)c1csc(CC[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1	ZINC000599290011	530162739	/nfs/dbraw/zinc/16/27/39/530162739.db2.gz	ZQOFYTUGSGYXJE-UHFFFAOYSA-N	-1	0	389.415	0.483	20	5		GCBDRM
NC(=O)[C@@]1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1	ZINC000579494969	530186812	/nfs/dbraw/zinc/18/68/12/530186812.db2.gz	IADIZAGCCCFZBI-LLVKDONJSA-N	-1	0	384.197	0.824	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000262358297	530226594	/nfs/dbraw/zinc/22/65/94/530226594.db2.gz	CFFLERTYNGDQKK-QMMMGPOBSA-N	-1	0	393.805	0.848	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F	ZINC000286634186	530209512	/nfs/dbraw/zinc/20/95/12/530209512.db2.gz	ZMIQXHLISHEACD-SNVBAGLBSA-N	-1	0	385.320	0.853	20	5		GCBDRM
C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1	ZINC000610212477	530210158	/nfs/dbraw/zinc/21/01/58/530210158.db2.gz	ZPSCAGSHJZYLDP-SECBINFHSA-N	-1	0	386.411	0.677	20	5		GCBDRM
COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)O	ZINC000274361388	530250847	/nfs/dbraw/zinc/25/08/47/530250847.db2.gz	NLQBXAVTSAJDKI-WKEGUHRASA-N	-1	0	397.203	0.558	20	5		GCBDRM
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000560888931	530270683	/nfs/dbraw/zinc/27/06/83/530270683.db2.gz	GQKXRRLLIOSAHL-UHFFFAOYSA-N	-1	0	385.276	0.093	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000572965426	530282561	/nfs/dbraw/zinc/28/25/61/530282561.db2.gz	ONALJRIAWDYXCP-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000562310980	530291038	/nfs/dbraw/zinc/29/10/38/530291038.db2.gz	NYXNJNZDUYJQCK-MNOVXSKESA-N	-1	0	380.350	0.635	20	5		GCBDRM
CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000289597355	530265020	/nfs/dbraw/zinc/26/50/20/530265020.db2.gz	RIUNARWYACVNEQ-UHFFFAOYSA-N	-1	0	389.814	0.557	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000614537640	530309949	/nfs/dbraw/zinc/30/99/49/530309949.db2.gz	LFPKQVCWGXZYDM-UHFFFAOYSA-N	-1	0	399.422	0.302	20	5		GCBDRM
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000517238982	530315444	/nfs/dbraw/zinc/31/54/44/530315444.db2.gz	KWNQDMTZJDIFBY-QMMMGPOBSA-N	-1	0	380.400	0.347	20	5		GCBDRM
CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000563071076	530315916	/nfs/dbraw/zinc/31/59/16/530315916.db2.gz	SWZFNJLUUUTFRC-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000580152158	530323470	/nfs/dbraw/zinc/32/34/70/530323470.db2.gz	ZPVNBCZUYLNLDB-SNVBAGLBSA-N	-1	0	393.443	0.117	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)cc1[N+](=O)[O-]	ZINC000581873302	530326564	/nfs/dbraw/zinc/32/65/64/530326564.db2.gz	LVIDCUXCVVIHGB-QMMMGPOBSA-N	-1	0	376.343	0.149	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000582653246	530329569	/nfs/dbraw/zinc/32/95/69/530329569.db2.gz	GKNBJNFJOFKMDE-QVQLBTGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000584267918	530360063	/nfs/dbraw/zinc/36/00/63/530360063.db2.gz	DXBYUEHEDQDTJT-BGJPBQGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
CCn1cc(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])n1	ZINC000584410904	530361323	/nfs/dbraw/zinc/36/13/23/530361323.db2.gz	YIINPYRGNLHSGT-UHFFFAOYSA-N	-1	0	376.391	0.456	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000582842961	530331781	/nfs/dbraw/zinc/33/17/81/530331781.db2.gz	QHBSGJIBKVEEHP-LVPZIMMTSA-N	-1	0	376.412	0.823	20	5		GCBDRM
COCCCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000564803675	530351081	/nfs/dbraw/zinc/35/10/81/530351081.db2.gz	QVZPXISYRKKNNU-UHFFFAOYSA-N	-1	0	376.387	0.967	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000566317555	530374256	/nfs/dbraw/zinc/37/42/56/530374256.db2.gz	SWXJZYISXKQBSF-VIFPVBQESA-N	-1	0	378.384	0.067	20	5		GCBDRM
C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])S(C)(=O)=O	ZINC000566317616	530374388	/nfs/dbraw/zinc/37/43/88/530374388.db2.gz	WLHXFTRLJSYNID-DTWKUNHWSA-N	-1	0	394.427	0.735	20	5		GCBDRM
NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000548253079	530454074	/nfs/dbraw/zinc/45/40/74/530454074.db2.gz	CHBNUYGJIZCYMK-GMSGAONNSA-N	-1	0	375.334	0.073	20	5		GCBDRM
C[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCS(=O)(=O)C1	ZINC000567349937	530454085	/nfs/dbraw/zinc/45/40/85/530454085.db2.gz	HTRFBJSHDMSBFK-LBPRGKRZSA-N	-1	0	378.384	0.149	20	5		GCBDRM
C[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCS(=O)(=O)C1	ZINC000567349936	530454132	/nfs/dbraw/zinc/45/41/32/530454132.db2.gz	HTRFBJSHDMSBFK-GFCCVEGCSA-N	-1	0	378.384	0.149	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000567799369	530472188	/nfs/dbraw/zinc/47/21/88/530472188.db2.gz	MTWPOKAXINTOKI-OIFKANJSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCS(=O)(=O)C2)cc1	ZINC000266374502	530493617	/nfs/dbraw/zinc/49/36/17/530493617.db2.gz	WDBFWUKYRATBGQ-NSHDSACASA-N	-1	0	386.411	0.952	20	5		GCBDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000568889003	530494734	/nfs/dbraw/zinc/49/47/34/530494734.db2.gz	LMPZAANJBHAUOH-IUCAKERBSA-N	-1	0	394.427	0.735	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)NCCSCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000571534880	530507413	/nfs/dbraw/zinc/50/74/13/530507413.db2.gz	UYTGRWMFSBLQPP-UHFFFAOYSA-N	-1	0	378.384	0.478	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-]	ZINC000572368898	530514167	/nfs/dbraw/zinc/51/41/67/530514167.db2.gz	MJGGFIFLEJXCPM-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
C[S@](=O)C1(C(=O)[O-])CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000574574336	530515736	/nfs/dbraw/zinc/51/57/36/530515736.db2.gz	PHTGIKBWGBVNRI-DEOSSOPVSA-N	-1	0	391.427	0.044	20	5		GCBDRM
C[S@@](=O)C1(C(=O)[O-])CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000574574337	530515778	/nfs/dbraw/zinc/51/57/78/530515778.db2.gz	PHTGIKBWGBVNRI-XMMPIXPASA-N	-1	0	391.427	0.044	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCOC(C)(C)C)CCC(=O)[O-])n1	ZINC000600658267	530521270	/nfs/dbraw/zinc/52/12/70/530521270.db2.gz	LACGFNNBRFNLIU-UHFFFAOYSA-N	-1	0	378.407	0.609	20	5		GCBDRM
O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436901467	530527494	/nfs/dbraw/zinc/52/74/94/530527494.db2.gz	QRHXSGXFPCMSAL-SNVBAGLBSA-N	-1	0	386.407	0.927	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000414338470	530597391	/nfs/dbraw/zinc/59/73/91/530597391.db2.gz	ISIUUAZKSRGAEG-MRVPVSSYSA-N	-1	0	392.411	0.537	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000268217845	530681889	/nfs/dbraw/zinc/68/18/89/530681889.db2.gz	IUZOEGWAPZBDDN-MWLCHTKSSA-N	-1	0	395.434	0.730	20	5		GCBDRM
NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000548253082	530676496	/nfs/dbraw/zinc/67/64/96/530676496.db2.gz	CHBNUYGJIZCYMK-XVKPBYJWSA-N	-1	0	375.334	0.073	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)c1	ZINC000546253416	530693452	/nfs/dbraw/zinc/69/34/52/530693452.db2.gz	ATDBNMFCSOZTBK-SECBINFHSA-N	-1	0	378.384	0.149	20	5		GCBDRM
O=C(NCCS(=O)(=O)N1CCSCC1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000269209524	530698508	/nfs/dbraw/zinc/69/85/08/530698508.db2.gz	VHVPNPIQLMRGQX-UHFFFAOYSA-N	-1	0	375.428	0.409	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)C1CCS(=O)(=O)CC1	ZINC000274928126	530752775	/nfs/dbraw/zinc/75/27/75/530752775.db2.gz	OHTGBTUSPBEEHJ-UHFFFAOYSA-N	-1	0	378.384	0.612	20	5		GCBDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000592140591	530757149	/nfs/dbraw/zinc/75/71/49/530757149.db2.gz	GDTUKQBFGXNPCI-RKDXNWHRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000274937073	530786267	/nfs/dbraw/zinc/78/62/67/530786267.db2.gz	QEZZHJRTHZKWKQ-MRVPVSSYSA-N	-1	0	383.176	0.390	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000593306799	530799771	/nfs/dbraw/zinc/79/97/71/530799771.db2.gz	DJENUGMBXMOWQI-MRVPVSSYSA-N	-1	0	378.384	0.149	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000593306800	530800000	/nfs/dbraw/zinc/80/00/00/530800000.db2.gz	DJENUGMBXMOWQI-QMMMGPOBSA-N	-1	0	378.384	0.149	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)NCCC2CS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000593310080	530800150	/nfs/dbraw/zinc/80/01/50/530800150.db2.gz	MCCHHRBVMLWGLL-UHFFFAOYSA-N	-1	0	378.384	0.006	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)NCCC2CS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000593311080	530800245	/nfs/dbraw/zinc/80/02/45/530800245.db2.gz	XTZMHOFPPYHKDF-UHFFFAOYSA-N	-1	0	378.384	0.006	20	5		GCBDRM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCC2)ccc1[N+](=O)[O-]	ZINC000349571097	530811592	/nfs/dbraw/zinc/81/15/92/530811592.db2.gz	FCZHWPKGBSLXNT-UHFFFAOYSA-N	-1	0	392.459	0.856	20	5		GCBDRM
CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000400133304	530812243	/nfs/dbraw/zinc/81/22/43/530812243.db2.gz	RTZYTMOTRPTQJR-VIFPVBQESA-N	-1	0	379.416	0.003	20	5		GCBDRM
CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000400134324	530812654	/nfs/dbraw/zinc/81/26/54/530812654.db2.gz	SMBIGNULDNVXAB-UHFFFAOYSA-N	-1	0	379.416	0.003	20	5		GCBDRM
COCCOC[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000462418007	530815940	/nfs/dbraw/zinc/81/59/40/530815940.db2.gz	FYHDBQQRNPGVME-JTQLQIEISA-N	-1	0	376.387	0.696	20	5		GCBDRM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCC2)ccc1[N+](=O)[O-]	ZINC000349605069	530823756	/nfs/dbraw/zinc/82/37/56/530823756.db2.gz	QAOAQXVVSYQWHZ-UHFFFAOYSA-N	-1	0	392.459	0.902	20	5		GCBDRM
O=c1[n-]c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n[nH]1	ZINC000429308220	530900158	/nfs/dbraw/zinc/90/01/58/530900158.db2.gz	KSXHJODNIMSYPG-UHFFFAOYSA-N	-1	0	387.399	0.591	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c([N+](=O)[O-])n1	ZINC000535232210	530903808	/nfs/dbraw/zinc/90/38/08/530903808.db2.gz	BIRQKTQRSIASNA-UHFFFAOYSA-N	-1	0	386.411	0.942	20	5		GCBDRM
O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000274890814	530905345	/nfs/dbraw/zinc/90/53/45/530905345.db2.gz	FWQDOPKZESDNDN-MRVPVSSYSA-N	-1	0	383.176	0.471	20	5		GCBDRM
NC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-]	ZINC000274911027	530905791	/nfs/dbraw/zinc/90/57/91/530905791.db2.gz	KPOGEZULKRNBRC-ZETCQYMHSA-N	-1	0	385.276	0.221	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000274982364	530906001	/nfs/dbraw/zinc/90/60/01/530906001.db2.gz	LRFITAVTRWEQAD-QMMMGPOBSA-N	-1	0	391.789	0.460	20	5		GCBDRM
O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000274969042	530906021	/nfs/dbraw/zinc/90/60/21/530906021.db2.gz	WCPQOCARAAXNLN-VIFPVBQESA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000274955495	530906525	/nfs/dbraw/zinc/90/65/25/530906525.db2.gz	IKYJAJQBDOHETQ-QMMMGPOBSA-N	-1	0	376.368	0.514	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1C	ZINC000275140153	530906910	/nfs/dbraw/zinc/90/69/10/530906910.db2.gz	QDQGLYZKXRWEJU-LLVKDONJSA-N	-1	0	392.411	0.084	20	5		GCBDRM
COCC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000275129113	530907277	/nfs/dbraw/zinc/90/72/77/530907277.db2.gz	VCLGKAGLXRGUOS-MRVPVSSYSA-N	-1	0	376.343	0.134	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000275331940	530907873	/nfs/dbraw/zinc/90/78/73/530907873.db2.gz	UFYNPRLGQAHXAR-SECBINFHSA-N	-1	0	378.334	0.727	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000275332596	530907934	/nfs/dbraw/zinc/90/79/34/530907934.db2.gz	QOGVSKOUQHWFGW-LDWIPMOCSA-N	-1	0	395.187	0.566	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)NC)c([N+](=O)[O-])n1	ZINC000464399211	530908590	/nfs/dbraw/zinc/90/85/90/530908590.db2.gz	DFBFKTZKGWGJNG-UHFFFAOYSA-N	-1	0	389.415	0.520	20	5		GCBDRM
CSCCN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000594670771	530875698	/nfs/dbraw/zinc/87/56/98/530875698.db2.gz	LDILTYJIBGQVIN-UHFFFAOYSA-N	-1	0	392.411	0.804	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2scnc2C)c([N+](=O)[O-])n1	ZINC000526059525	530882221	/nfs/dbraw/zinc/88/22/21/530882221.db2.gz	WYJLJZITVVQDJU-MRVPVSSYSA-N	-1	0	375.388	0.680	20	5		GCBDRM
O=C([O-])[C@]1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1	ZINC000619709025	530882513	/nfs/dbraw/zinc/88/25/13/530882513.db2.gz	QCPHQJNLJKXHIL-NSHDSACASA-N	-1	0	395.187	0.879	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000548586074	530883377	/nfs/dbraw/zinc/88/33/77/530883377.db2.gz	ATKISQDAXFGANS-VIFPVBQESA-N	-1	0	398.802	0.121	20	5		GCBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424249103	530888727	/nfs/dbraw/zinc/88/87/27/530888727.db2.gz	SULOOEPVKCFZFE-BXKDBHETSA-N	-1	0	388.423	0.786	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1C	ZINC000424367266	530889258	/nfs/dbraw/zinc/88/92/58/530889258.db2.gz	LCHWZHGYAILLIU-GFCCVEGCSA-N	-1	0	392.411	0.084	20	5		GCBDRM
O=C([O-])[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424473293	530889478	/nfs/dbraw/zinc/88/94/78/530889478.db2.gz	QKIOSOKCWBFMAA-MRVPVSSYSA-N	-1	0	380.176	0.440	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1	ZINC000424369623	530889503	/nfs/dbraw/zinc/88/95/03/530889503.db2.gz	RLQWAZGXFDITGA-GFCCVEGCSA-N	-1	0	392.411	0.084	20	5		GCBDRM
CS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1	ZINC000527291147	530890290	/nfs/dbraw/zinc/89/02/90/530890290.db2.gz	LPDWYGWFVWEJTF-UHFFFAOYSA-N	-1	0	377.425	0.933	20	5		GCBDRM
COCCc1nc(=NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s[n-]1	ZINC000426522701	530894007	/nfs/dbraw/zinc/89/40/07/530894007.db2.gz	KZFJJMPDHURKAJ-UHFFFAOYSA-N	-1	0	387.443	0.448	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])OC	ZINC000530435269	530895740	/nfs/dbraw/zinc/89/57/40/530895740.db2.gz	MOMOLGAOAUSXLR-SECBINFHSA-N	-1	0	376.343	0.149	20	5		GCBDRM
O=C(NCCS(=O)(=O)N1CCSCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000271259781	530895874	/nfs/dbraw/zinc/89/58/74/530895874.db2.gz	JJRSNVSJIHQBRQ-UHFFFAOYSA-N	-1	0	375.428	0.409	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(CNS(C)(=O)=O)cc2)n1	ZINC000600650778	530931319	/nfs/dbraw/zinc/93/13/19/530931319.db2.gz	QOKUPSRLRGQBBM-UHFFFAOYSA-N	-1	0	389.415	0.178	20	5		GCBDRM
COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]1	ZINC000460527706	530921625	/nfs/dbraw/zinc/92/16/25/530921625.db2.gz	AIEUWKVQXWMMEG-UHFFFAOYSA-N	-1	0	375.750	0.883	20	5		GCBDRM
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CC1(OCCO)CCOCC1	ZINC000281860069	530922725	/nfs/dbraw/zinc/92/27/25/530922725.db2.gz	BZHNXUFEHMCMTG-UHFFFAOYSA-N	-1	0	378.378	0.570	20	5		GCBDRM
CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603640736	530935537	/nfs/dbraw/zinc/93/55/37/530935537.db2.gz	NEDKTGNRMZZWIF-UHFFFAOYSA-N	-1	0	381.432	0.250	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O	ZINC000505831074	530939448	/nfs/dbraw/zinc/93/94/48/530939448.db2.gz	GHYSNGVCIXKLCS-SCZZXKLOSA-N	-1	0	375.334	0.188	20	5		GCBDRM
CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1F	ZINC000461107126	530982806	/nfs/dbraw/zinc/98/28/06/530982806.db2.gz	KPAUHCZTRFUADX-UHFFFAOYSA-N	-1	0	390.374	0.723	20	5		GCBDRM
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1C	ZINC000461112420	530990236	/nfs/dbraw/zinc/99/02/36/530990236.db2.gz	NFRRDESBRNZHEB-UHFFFAOYSA-N	-1	0	386.411	0.429	20	5		GCBDRM
CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000270355058	531086533	/nfs/dbraw/zinc/08/65/33/531086533.db2.gz	DLSUGBIVJJPBBH-QPUJVOFHSA-N	-1	0	378.428	0.757	20	5		GCBDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000548233887	531088912	/nfs/dbraw/zinc/08/89/12/531088912.db2.gz	CYUKKRIGJQIUON-SECBINFHSA-N	-1	0	376.343	0.086	20	5		GCBDRM
NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000548253081	531095488	/nfs/dbraw/zinc/09/54/88/531095488.db2.gz	CHBNUYGJIZCYMK-XCBNKYQSSA-N	-1	0	375.334	0.073	20	5		GCBDRM
C[C@H](O)[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000297231972	531098220	/nfs/dbraw/zinc/09/82/20/531098220.db2.gz	OZCNDLLWRPXIOR-SSDLBLMSSA-N	-1	0	383.176	0.470	20	5		GCBDRM
NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000586660585	531166547	/nfs/dbraw/zinc/16/65/47/531166547.db2.gz	FBTOVUKSBWAQMC-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1	ZINC000737761841	599040208	/nfs/dbraw/zinc/04/02/08/599040208.db2.gz	SYVLPZWHUXOQME-UHFFFAOYSA-N	-1	0	389.353	0.675	20	5		GCBDRM
CN(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263125580	596898302	/nfs/dbraw/zinc/89/83/02/596898302.db2.gz	SBNATVCGRZPTNE-LLVKDONJSA-N	-1	0	385.398	0.539	20	5		GCBDRM
O=C([O-])C[C@@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1	ZINC000819351523	597097644	/nfs/dbraw/zinc/09/76/44/597097644.db2.gz	ROSVDLIZLWOLDR-JTQLQIEISA-N	-1	0	375.337	0.904	20	5		GCBDRM
O=C([O-])CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000414612311	597222648	/nfs/dbraw/zinc/22/26/48/597222648.db2.gz	QAYZOUFBLLYYSG-UHFFFAOYSA-N	-1	0	386.386	0.085	20	5		GCBDRM
COC(=O)[C@H](C)NC(=O)c1ccc(N2CCO[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000591325381	597441076	/nfs/dbraw/zinc/44/10/76/597441076.db2.gz	JZAKNMSHKATAMZ-ZANVPECISA-N	-1	0	381.341	0.176	20	5		GCBDRM
C[C@H](C(=O)[O-])N(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000262113410	597485706	/nfs/dbraw/zinc/48/57/06/597485706.db2.gz	KSLNVVBBVQOKKB-LLVKDONJSA-N	-1	0	386.430	0.440	20	5		GCBDRM
CC(=O)NCCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H](C)C(=O)[O-]	ZINC000819745792	597685393	/nfs/dbraw/zinc/68/53/93/597685393.db2.gz	KDRXGVBBNWXLEJ-NSHDSACASA-N	-1	0	376.369	0.987	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)C(=O)[O-]	ZINC000262188621	597693236	/nfs/dbraw/zinc/69/32/36/597693236.db2.gz	GLDISTHXEMGSIB-NSHDSACASA-N	-1	0	389.368	0.832	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000262449304	597698660	/nfs/dbraw/zinc/69/86/60/597698660.db2.gz	QTFQIRJBWPAGDE-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1	ZINC000485894770	599736193	/nfs/dbraw/zinc/73/61/93/599736193.db2.gz	ILPGYPVIHLVEMN-UHFFFAOYSA-N	-1	0	375.297	0.240	20	5		GCBDRM
CC[C@H](C)[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000535153653	599744678	/nfs/dbraw/zinc/74/46/78/599744678.db2.gz	UXVXYHYRAVEYAU-HZMBPMFUSA-N	-1	0	387.414	0.879	20	5		GCBDRM
COC(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821659164	607390954	/nfs/dbraw/zinc/39/09/54/607390954.db2.gz	UCOUFFPBMLIRPE-SECBINFHSA-N	-1	0	396.385	0.491	20	5		GCBDRM
CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000736133953	599761086	/nfs/dbraw/zinc/76/10/86/599761086.db2.gz	HNMHXJIDKHYRPO-UHFFFAOYSA-N	-1	0	392.368	0.104	20	5		GCBDRM
C[C@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000592980885	599784079	/nfs/dbraw/zinc/78/40/79/599784079.db2.gz	CTJJUQLDTKONOE-LLVKDONJSA-N	-1	0	386.430	0.664	20	5		GCBDRM
Cc1cc(-c2nn[nH]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000826249511	607402307	/nfs/dbraw/zinc/40/23/07/607402307.db2.gz	GJAGSQNRLAHHBS-UHFFFAOYSA-N	-1	0	389.353	0.597	20	5		GCBDRM
CC(C)(C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1)n1cc([N+](=O)[O-])cn1	ZINC000736232141	599885854	/nfs/dbraw/zinc/88/58/54/599885854.db2.gz	GIEULVDOTYLFSL-UHFFFAOYSA-N	-1	0	382.373	0.973	20	5		GCBDRM
C[C@H](CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-]	ZINC000736562217	599929821	/nfs/dbraw/zinc/92/98/21/599929821.db2.gz	FCIPEVNDSJSRGV-LLVKDONJSA-N	-1	0	399.425	0.975	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCO[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1	ZINC000739813862	599967925	/nfs/dbraw/zinc/96/79/25/599967925.db2.gz	YUJYDFIFBZBOBH-ZDUSSCGKSA-N	-1	0	389.368	0.511	20	5		GCBDRM
O=C([O-])C1CCC(NC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000739384274	600027021	/nfs/dbraw/zinc/02/70/21/600027021.db2.gz	NTUKKEIHHAMFDM-FWIFWCIWSA-N	-1	0	381.385	0.932	20	5		GCBDRM
O=C([O-])Cn1ncc2c1ncn(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)c2=O	ZINC000739920969	600032903	/nfs/dbraw/zinc/03/29/03/600032903.db2.gz	OPOYDFDSQMFYKP-UHFFFAOYSA-N	-1	0	397.307	0.684	20	5		GCBDRM
O=C([O-])CNC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000262197884	600044023	/nfs/dbraw/zinc/04/40/23/600044023.db2.gz	HTEBLDHMXHJENP-UHFFFAOYSA-N	-1	0	390.318	0.936	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1	ZINC000591564139	600053080	/nfs/dbraw/zinc/05/30/80/600053080.db2.gz	FPOAXDDAEGAYMN-JTQLQIEISA-N	-1	0	389.267	0.447	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000739792558	600147921	/nfs/dbraw/zinc/14/79/21/600147921.db2.gz	VWTBZHKXCBVFGR-UHFFFAOYSA-N	-1	0	391.384	0.864	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(NCc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000739814488	600167707	/nfs/dbraw/zinc/16/77/07/600167707.db2.gz	ZJZYMTCQNXICEN-UHFFFAOYSA-N	-1	0	397.351	0.997	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	ZINC000739785822	600171556	/nfs/dbraw/zinc/17/15/56/600171556.db2.gz	KCYSVTAJZAMBPK-UHFFFAOYSA-N	-1	0	376.369	0.935	20	5		GCBDRM
COCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000262625903	600181105	/nfs/dbraw/zinc/18/11/05/600181105.db2.gz	NPZCQZNBYQKTLQ-LBPRGKRZSA-N	-1	0	386.382	0.569	20	5		GCBDRM
O=C([O-])Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n[nH]1	ZINC000739900392	600181312	/nfs/dbraw/zinc/18/13/12/600181312.db2.gz	JOSKELLJSJPYLU-SSDOTTSWSA-N	-1	0	394.369	0.645	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)CCNS(=O)(=O)c2cccnc2)cc([N+](=O)[O-])c1	ZINC000739250819	600191343	/nfs/dbraw/zinc/19/13/43/600191343.db2.gz	LHIFFSMKZMKGRC-UHFFFAOYSA-N	-1	0	394.365	0.995	20	5		GCBDRM
C[C@@H](O)CN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736675027	600209818	/nfs/dbraw/zinc/20/98/18/600209818.db2.gz	AYHDAMLFDWJLLW-NEPJUHHUSA-N	-1	0	380.401	0.301	20	5		GCBDRM
O=C([O-])CNC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000739808694	600214619	/nfs/dbraw/zinc/21/46/19/600214619.db2.gz	HOGHSBRFKAFWIU-MRVPVSSYSA-N	-1	0	385.354	0.005	20	5		GCBDRM
O=C([O-])[C@@H]1CC12CCN(C(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)CC2	ZINC000739527948	600279089	/nfs/dbraw/zinc/27/90/89/600279089.db2.gz	YINUBFSJFFIOCW-NSHDSACASA-N	-1	0	387.348	0.904	20	5		GCBDRM
COC(=O)Cc1c(C(=O)[O-])sc2[nH]c(Cn3cc([N+](=O)[O-])cn3)nc(=O)c12	ZINC000737629115	600361779	/nfs/dbraw/zinc/36/17/79/600361779.db2.gz	YBMVZZNSEYXSOC-UHFFFAOYSA-N	-1	0	393.337	0.551	20	5		GCBDRM
CS(=O)(=O)c1cccc(OCCn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1	ZINC000738175707	600362059	/nfs/dbraw/zinc/36/20/59/600362059.db2.gz	DNNCMUXWVPLXBD-UHFFFAOYSA-N	-1	0	382.350	0.937	20	5		GCBDRM
CN(CC(=O)NC1(C(=O)[O-])CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000532669580	600374098	/nfs/dbraw/zinc/37/40/98/600374098.db2.gz	NJRSJQDWALYQKF-UHFFFAOYSA-N	-1	0	385.398	0.729	20	5		GCBDRM
CN(CC(=O)NCc1ccc(C(=O)[O-])o1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000737392854	600379304	/nfs/dbraw/zinc/37/93/04/600379304.db2.gz	BTGGFIIOXDUGGN-UHFFFAOYSA-N	-1	0	397.365	0.823	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	ZINC000739812847	600397538	/nfs/dbraw/zinc/39/75/38/600397538.db2.gz	NINLXAOKYAVEKC-LBPRGKRZSA-N	-1	0	388.384	0.917	20	5		GCBDRM
O=C([O-])c1ccc(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)o1	ZINC000574228670	600477159	/nfs/dbraw/zinc/47/71/59/600477159.db2.gz	CDUFXZIKDJRHKY-UHFFFAOYSA-N	-1	0	375.293	0.928	20	5		GCBDRM
O=C([O-])c1ccc(=O)n(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n1	ZINC000739358134	600518229	/nfs/dbraw/zinc/51/82/29/600518229.db2.gz	LQDKKGHDGRXKRO-UHFFFAOYSA-N	-1	0	390.308	0.650	20	5		GCBDRM
O=C([O-])CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262785952	600536149	/nfs/dbraw/zinc/53/61/49/600536149.db2.gz	ZRFSDRBACSKFFL-ZDUSSCGKSA-N	-1	0	385.398	0.729	20	5		GCBDRM
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000739634995	600547875	/nfs/dbraw/zinc/54/78/75/600547875.db2.gz	PTPSUDSIZCXTRS-JTQLQIEISA-N	-1	0	386.158	0.773	20	5		GCBDRM
O=C([O-])Cc1nc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n[nH]1	ZINC000739900778	600579388	/nfs/dbraw/zinc/57/93/88/600579388.db2.gz	OSAIEXDJUTZVLA-UHFFFAOYSA-N	-1	0	390.312	0.667	20	5		GCBDRM
CC(C)(C)[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000610845418	600644719	/nfs/dbraw/zinc/64/47/19/600644719.db2.gz	GQOAAPKDQJZYHR-CYBMUJFWSA-N	-1	0	387.414	0.879	20	5		GCBDRM
O=C([O-])Cn1cc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1	ZINC000739912022	600689224	/nfs/dbraw/zinc/68/92/24/600689224.db2.gz	VAHTWBDPSAVIPP-UHFFFAOYSA-N	-1	0	395.397	0.387	20	5		GCBDRM
COCCN1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	ZINC000831745407	600812540	/nfs/dbraw/zinc/81/25/40/600812540.db2.gz	PSQUVFGVFOVHCY-CHWSQXEVSA-N	-1	0	394.428	0.955	20	5		GCBDRM
CNS(=O)(=O)[C@@H]1CCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1	ZINC000831023991	600813817	/nfs/dbraw/zinc/81/38/17/600813817.db2.gz	ACTGBUGSAHRNEP-SECBINFHSA-N	-1	0	388.358	0.719	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000833252618	600822050	/nfs/dbraw/zinc/82/20/50/600822050.db2.gz	RVWBDZHYBWYEEV-ZDUSSCGKSA-N	-1	0	378.385	0.320	20	5		GCBDRM
Cn1cc(N2CCC[C@H](NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2=O)cn1	ZINC000738411573	600870929	/nfs/dbraw/zinc/87/09/29/600870929.db2.gz	QTMRZRQPZQPNLH-AWEZNQCLSA-N	-1	0	387.352	0.952	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000831977586	600958108	/nfs/dbraw/zinc/95/81/08/600958108.db2.gz	SXECHGKXCWRSLU-UHFFFAOYSA-N	-1	0	396.352	0.887	20	5		GCBDRM
CS(=O)(=O)c1ccc(OCCn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1	ZINC000738177491	600985682	/nfs/dbraw/zinc/98/56/82/600985682.db2.gz	OZKVQMXCJRGPLC-UHFFFAOYSA-N	-1	0	382.350	0.937	20	5		GCBDRM
O=C([O-])CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCOCC1	ZINC000833247776	601046756	/nfs/dbraw/zinc/04/67/56/601046756.db2.gz	XWCCMVIYIWKVBX-UHFFFAOYSA-N	-1	0	381.341	0.828	20	5		GCBDRM
Cc1nn(C)c(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1[N+](=O)[O-]	ZINC000833012771	601075333	/nfs/dbraw/zinc/07/53/33/601075333.db2.gz	FPYFARNRJBAHDE-SECBINFHSA-N	-1	0	393.381	0.932	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)C1=O	ZINC000833122302	601114644	/nfs/dbraw/zinc/11/46/44/601114644.db2.gz	HSMZCWRMGZWVEC-MRVPVSSYSA-N	-1	0	381.326	0.295	20	5		GCBDRM
C[C@]1([C@@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)NC(=O)NC1=O	ZINC000828087980	601245120	/nfs/dbraw/zinc/24/51/20/601245120.db2.gz	GCDWQSVZDILGQV-PIGZYNQJSA-N	-1	0	390.352	0.743	20	5		GCBDRM
CN(C[C@H](O)CN1CCOCC1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000830706606	601254544	/nfs/dbraw/zinc/25/45/44/601254544.db2.gz	NNQCLHGGBZRPMD-NSHDSACASA-N	-1	0	384.345	0.331	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC000832481607	601258520	/nfs/dbraw/zinc/25/85/20/601258520.db2.gz	MOQWOUYSFAPMOD-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
Cn1cc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000833044620	601315076	/nfs/dbraw/zinc/31/50/76/601315076.db2.gz	AAZFAAZIAJUUFI-UHFFFAOYSA-N	-1	0	396.381	0.939	20	5		GCBDRM
O=C([O-])CC1(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1	ZINC000262427298	601327943	/nfs/dbraw/zinc/32/79/43/601327943.db2.gz	DLDHOPBNJNQOCT-UHFFFAOYSA-N	-1	0	379.369	0.855	20	5		GCBDRM
O=C([O-])CNC(=O)COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F	ZINC000821531441	601356213	/nfs/dbraw/zinc/35/62/13/601356213.db2.gz	HTEVZRRQRLOPBH-UHFFFAOYSA-N	-1	0	379.094	0.854	20	5		GCBDRM
CN(CCN1CCCS1(=O)=O)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000830781290	601379059	/nfs/dbraw/zinc/37/90/59/601379059.db2.gz	ULRLBBISGVDJCW-UHFFFAOYSA-N	-1	0	388.358	0.673	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N[C@@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702954	601380660	/nfs/dbraw/zinc/38/06/60/601380660.db2.gz	DWVZGMSJKGEPHN-GXSJLCMTSA-N	-1	0	376.369	0.973	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703557	601382987	/nfs/dbraw/zinc/38/29/87/601382987.db2.gz	OQGFIDJLVOCXJF-MWLCHTKSSA-N	-1	0	377.357	0.012	20	5		GCBDRM
CCN1C(=O)[C@@H]2CN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])CCN2C1=O	ZINC000829744626	601383772	/nfs/dbraw/zinc/38/37/72/601383772.db2.gz	LWJYAKJNMATFRR-NSHDSACASA-N	-1	0	393.312	0.674	20	5		GCBDRM
Cn1cc(N2CCN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])CC2=O)cn1	ZINC000833046891	601410829	/nfs/dbraw/zinc/41/08/29/601410829.db2.gz	HJWFZHHKHUHMPR-UHFFFAOYSA-N	-1	0	390.312	0.788	20	5		GCBDRM
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1=O	ZINC000830908471	601427192	/nfs/dbraw/zinc/42/71/92/601427192.db2.gz	WTBHFRBFHWWMPB-DIFFPNOSSA-N	-1	0	390.352	0.743	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NCc2ccc(C(N)=O)nc2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704295	601561644	/nfs/dbraw/zinc/56/16/44/601561644.db2.gz	XAUHEVBLYXPKPX-SECBINFHSA-N	-1	0	387.352	0.904	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000610846677	601608035	/nfs/dbraw/zinc/60/80/35/601608035.db2.gz	HEZCYQQWBKMGQR-GFCCVEGCSA-N	-1	0	379.325	0.595	20	5		GCBDRM
O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1	ZINC000833216111	601668338	/nfs/dbraw/zinc/66/83/38/601668338.db2.gz	ZSPKXVBXLBYFKH-QWRGUYRKSA-N	-1	0	397.409	0.963	20	5		GCBDRM
CC(C)(CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000826579992	601686808	/nfs/dbraw/zinc/68/68/08/601686808.db2.gz	DCEBLEBQLOGSQQ-UHFFFAOYSA-N	-1	0	388.402	0.283	20	5		GCBDRM
O=C(CSc1ccc([N+](=O)[O-])cc1)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000833116394	601720750	/nfs/dbraw/zinc/72/07/50/601720750.db2.gz	UCTPRRAEYOEQCU-UHFFFAOYSA-N	-1	0	388.423	0.835	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1OC	ZINC000831773473	601738436	/nfs/dbraw/zinc/73/84/36/601738436.db2.gz	FXYPBSGVXNLMGP-MRXNPFEDSA-N	-1	0	384.341	0.602	20	5		GCBDRM
O=C([O-])C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCO1	ZINC000767178359	601739790	/nfs/dbraw/zinc/73/97/90/601739790.db2.gz	WGVPVKKPOCORGE-ZDUSSCGKSA-N	-1	0	379.369	0.747	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832695415	601748861	/nfs/dbraw/zinc/74/88/61/601748861.db2.gz	PUSCGONTBDKGQS-TVQRCGJNSA-N	-1	0	385.398	0.741	20	5		GCBDRM
COC[C@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)[O-]	ZINC000831596659	601818892	/nfs/dbraw/zinc/81/88/92/601818892.db2.gz	GLMYZYFDPDAXLX-ABKXIKBNSA-N	-1	0	383.332	0.693	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1	ZINC000760117538	602205932	/nfs/dbraw/zinc/20/59/32/602205932.db2.gz	ANCHQQWKCJHWKW-SNVBAGLBSA-N	-1	0	395.187	0.831	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)cc([N+](=O)[O-])c1	ZINC000833295547	602285684	/nfs/dbraw/zinc/28/56/84/602285684.db2.gz	CDKGCCRWUVMXBA-INIZCTEOSA-N	-1	0	393.396	0.856	20	5		GCBDRM
COC(=O)c1ccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1	ZINC000831440417	602299573	/nfs/dbraw/zinc/29/95/73/602299573.db2.gz	ZVXPDFKRWCAWIJ-LBPRGKRZSA-N	-1	0	392.320	0.681	20	5		GCBDRM
CCOC(=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825512124	607581472	/nfs/dbraw/zinc/58/14/72/607581472.db2.gz	URHSHLDSWDKYRW-UHFFFAOYSA-N	-1	0	384.374	0.397	20	5		GCBDRM
CCN(C[C@@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825417009	607600360	/nfs/dbraw/zinc/60/03/60/607600360.db2.gz	NZQLOUBYGJOKCU-JTQLQIEISA-N	-1	0	382.402	0.822	20	5		GCBDRM
CCOC(=O)C(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825485842	607604498	/nfs/dbraw/zinc/60/44/98/607604498.db2.gz	KAVZCJNIZRARSQ-UHFFFAOYSA-N	-1	0	384.374	0.395	20	5		GCBDRM
Cc1ccc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cn1	ZINC000826287315	607613361	/nfs/dbraw/zinc/61/33/61/607613361.db2.gz	JZFWBLQBBMJWCY-UHFFFAOYSA-N	-1	0	389.397	0.999	20	5		GCBDRM
CCC(CC)[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825095233	607635884	/nfs/dbraw/zinc/63/58/84/607635884.db2.gz	GDTTYSJSBGVZHS-NSHDSACASA-N	-1	0	384.418	0.850	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)c1-c1nnn[n-]1	ZINC000826499876	607638998	/nfs/dbraw/zinc/63/89/98/607638998.db2.gz	BUUWRAHBXPSSHX-MRVPVSSYSA-N	-1	0	396.307	0.367	20	5		GCBDRM
CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824305081	607651329	/nfs/dbraw/zinc/65/13/29/607651329.db2.gz	KLHJPCIEBANASM-VIFPVBQESA-N	-1	0	398.401	0.641	20	5		GCBDRM
CO[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1(C)C	ZINC000826144512	607667400	/nfs/dbraw/zinc/66/74/00/607667400.db2.gz	LOOJGDJZLZWMRY-WDEREUQCSA-N	-1	0	382.402	0.867	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1-c1nnn[n-]1	ZINC000826500135	607672828	/nfs/dbraw/zinc/67/28/28/607672828.db2.gz	MIOQTCSVAAZESL-NSHDSACASA-N	-1	0	390.381	0.787	20	5		GCBDRM
C[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)[S@](C)=O	ZINC000824400120	607674557	/nfs/dbraw/zinc/67/45/57/607674557.db2.gz	AILVJWNIXCMHCV-GPQZVPNXSA-N	-1	0	388.431	0.210	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCc3c[nH]nc32)c1-c1nnn[n-]1	ZINC000826500013	607676053	/nfs/dbraw/zinc/67/60/53/607676053.db2.gz	HYZMAJOXGNUNQM-VIFPVBQESA-N	-1	0	390.385	0.854	20	5		GCBDRM
COCCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000826154988	607676369	/nfs/dbraw/zinc/67/63/69/607676369.db2.gz	BWLCVVVBOBLUFM-UHFFFAOYSA-N	-1	0	382.402	0.870	20	5		GCBDRM
C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000824691352	607678056	/nfs/dbraw/zinc/67/80/56/607678056.db2.gz	ZYPNNPPLTSFFQE-VHSXEESVSA-N	-1	0	382.402	0.556	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NC[C@@H]2CCCS2(=O)=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704286	604279447	/nfs/dbraw/zinc/27/94/47/604279447.db2.gz	WZACRTFZJRPESD-ONGXEEELSA-N	-1	0	385.398	0.787	20	5		GCBDRM
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC(=O)NCCC(=O)[O-])C1=O	ZINC000828123496	604402096	/nfs/dbraw/zinc/40/20/96/604402096.db2.gz	VOHUYKWTTZTNNW-MRXNPFEDSA-N	-1	0	378.341	0.343	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)c([N+](=O)[O-])n1	ZINC000564921889	604507041	/nfs/dbraw/zinc/50/70/41/604507041.db2.gz	XMXZPWGMURONNA-GFCCVEGCSA-N	-1	0	384.370	0.924	20	5		GCBDRM
C[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cn(CC(=O)[O-])nn1	ZINC000827851148	604672891	/nfs/dbraw/zinc/67/28/91/604672891.db2.gz	AMDFDGXVCKTNSY-SECBINFHSA-N	-1	0	387.312	0.770	20	5		GCBDRM
C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cn(CC(=O)[O-])nn1	ZINC000827844960	604687662	/nfs/dbraw/zinc/68/76/62/604687662.db2.gz	UDNXRNACHUMGJN-QMMMGPOBSA-N	-1	0	398.353	0.592	20	5		GCBDRM
O=C([O-])N1CC(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1	ZINC000831852961	604766875	/nfs/dbraw/zinc/76/68/75/604766875.db2.gz	YJDAPHHGFURYBL-UHFFFAOYSA-N	-1	0	380.176	0.998	20	5		GCBDRM
Cc1c(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000832854163	604835658	/nfs/dbraw/zinc/83/56/58/604835658.db2.gz	UUTSIRNFCWLWMN-UHFFFAOYSA-N	-1	0	379.285	0.887	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c(F)cc1F	ZINC000833143919	604877314	/nfs/dbraw/zinc/87/73/14/604877314.db2.gz	IFRSJPMDODLGME-UHFFFAOYSA-N	-1	0	383.267	0.523	20	5		GCBDRM
C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C(=O)NCC(=O)[O-]	ZINC000833534580	605165461	/nfs/dbraw/zinc/16/54/61/605165461.db2.gz	FAWHQRQVIRUSQR-SNVBAGLBSA-N	-1	0	381.341	0.178	20	5		GCBDRM
Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833751506	605211326	/nfs/dbraw/zinc/21/13/26/605211326.db2.gz	KDLSMWQVZNSPPB-LBPRGKRZSA-N	-1	0	387.414	0.797	20	5		GCBDRM
CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833691670	605389709	/nfs/dbraw/zinc/38/97/09/605389709.db2.gz	FWVJGGOYOYJDIY-UHFFFAOYSA-N	-1	0	397.365	0.823	20	5		GCBDRM
CC(C)(O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000833462422	605396541	/nfs/dbraw/zinc/39/65/41/605396541.db2.gz	AIZYDYUTKCPXFP-UHFFFAOYSA-N	-1	0	387.414	0.370	20	5		GCBDRM
COC[C@](C)(CC(=O)OC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833721827	605399517	/nfs/dbraw/zinc/39/95/17/605399517.db2.gz	SPNHPJZNQZUHOS-AWEZNQCLSA-N	-1	0	390.370	0.540	20	5		GCBDRM
O=C([O-])N1CCC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1	ZINC000739927446	605629043	/nfs/dbraw/zinc/62/90/43/605629043.db2.gz	OQSFLQNDKREZPT-VIFPVBQESA-N	-1	0	387.370	0.787	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000833704452	605663459	/nfs/dbraw/zinc/66/34/59/605663459.db2.gz	HLEFJMFCGSITKW-SMDDNHRTSA-N	-1	0	379.369	0.896	20	5		GCBDRM
CCOC(=O)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821330455	606732632	/nfs/dbraw/zinc/73/26/32/606732632.db2.gz	KZJRXUKNFBTICM-UHFFFAOYSA-N	-1	0	384.374	0.349	20	5		GCBDRM
CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@@H](C)O1	ZINC000820995731	606734065	/nfs/dbraw/zinc/73/40/65/606734065.db2.gz	WRMGNZKACCXANL-NXEZZACHSA-N	-1	0	382.402	0.963	20	5		GCBDRM
CCOC[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000821369189	606736406	/nfs/dbraw/zinc/73/64/06/606736406.db2.gz	XQFLQJLFLYEMOH-JTQLQIEISA-N	-1	0	382.402	0.822	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cn2)ccc1[N+](=O)[O-]	ZINC000821728276	607026039	/nfs/dbraw/zinc/02/60/39/607026039.db2.gz	SWEHEQLVPSTDRN-UHFFFAOYSA-N	-1	0	377.342	0.979	20	5		GCBDRM
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2ncccc2-c2nn[nH]n2)CC1	ZINC000823472812	607232560	/nfs/dbraw/zinc/23/25/60/607232560.db2.gz	ZZQLGZMWKHOGKE-UHFFFAOYSA-N	-1	0	396.367	0.838	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCc3nccn3C2)c1-c1nnn[n-]1	ZINC000826500009	608056150	/nfs/dbraw/zinc/05/61/50/608056150.db2.gz	HUESWEAMGLUFDY-SECBINFHSA-N	-1	0	390.385	0.265	20	5		GCBDRM
CN(CCc1cnccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825949823	608155904	/nfs/dbraw/zinc/15/59/04/608155904.db2.gz	AFDGIIFGUOXVLR-UHFFFAOYSA-N	-1	0	390.385	0.428	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC3(CCC3)C2)c1-c1nnn[n-]1	ZINC000826500344	608242604	/nfs/dbraw/zinc/24/26/04/608242604.db2.gz	UZVHSGDCRDVWDE-UHFFFAOYSA-N	-1	0	380.386	0.719	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2ccnc2)c1-c1nnn[n-]1	ZINC000826500122	608352127	/nfs/dbraw/zinc/35/21/27/608352127.db2.gz	LZQVBVNRNLPNBC-UHFFFAOYSA-N	-1	0	378.374	0.340	20	5		GCBDRM
CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826227304	608422212	/nfs/dbraw/zinc/42/22/12/608422212.db2.gz	OXVCDAOLMWKJRZ-VXNVDRBHSA-N	-1	0	388.431	0.166	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccsc2)c1-c1nnn[n-]1	ZINC000826500438	608567999	/nfs/dbraw/zinc/56/79/99/608567999.db2.gz	YJVQFKCSYDISHK-JTQLQIEISA-N	-1	0	396.410	0.848	20	5		GCBDRM
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1	ZINC000826470600	609500570	/nfs/dbraw/zinc/50/05/70/609500570.db2.gz	WGCAMOMOWPNBSI-UHFFFAOYSA-N	-1	0	396.367	0.838	20	5		GCBDRM
CS(=O)(=O)Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1	ZINC000726313744	638672709	/nfs/dbraw/zinc/67/27/09/638672709.db2.gz	JKZPZNDXUAYYOA-UHFFFAOYSA-N	-1	0	388.379	0.851	20	5		GCBDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1Cl	ZINC000726734405	638679845	/nfs/dbraw/zinc/67/98/45/638679845.db2.gz	UXKWSDDSBZQNMD-UHFFFAOYSA-N	-1	0	376.782	0.418	20	5		GCBDRM
COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000732520262	639810607	/nfs/dbraw/zinc/81/06/07/639810607.db2.gz	AQGMCVYOOCJMNE-VIFPVBQESA-N	-1	0	391.427	0.353	20	5		GCBDRM
CCS(=O)(=O)[N-]C(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000732606631	639811838	/nfs/dbraw/zinc/81/18/38/639811838.db2.gz	OHWSWUPTABKKFU-QMMMGPOBSA-N	-1	0	379.416	0.505	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000732608946	639812097	/nfs/dbraw/zinc/81/20/97/639812097.db2.gz	WHJGTHQQYZUQST-UHFFFAOYSA-N	-1	0	390.175	0.454	20	5		GCBDRM
COc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)c1	ZINC000732615879	639812360	/nfs/dbraw/zinc/81/23/60/639812360.db2.gz	UYDWPHXUDIZLRF-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732621567	639812784	/nfs/dbraw/zinc/81/27/84/639812784.db2.gz	NLXIWXVZVXHBFT-LURJTMIESA-N	-1	0	377.429	0.771	20	5		GCBDRM
NC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1	ZINC000732622872	639812838	/nfs/dbraw/zinc/81/28/38/639812838.db2.gz	ZRTANYHRDHZVKO-UHFFFAOYSA-N	-1	0	385.379	0.639	20	5		GCBDRM
CS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1	ZINC000732619215	639812985	/nfs/dbraw/zinc/81/29/85/639812985.db2.gz	OYAVFKCGDQNBHQ-UHFFFAOYSA-N	-1	0	397.456	0.133	20	5		GCBDRM
C[C@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)CS2	ZINC000732620063	639813040	/nfs/dbraw/zinc/81/30/40/639813040.db2.gz	FXYXHQLPFZMXSZ-UFBFGSQYSA-N	-1	0	391.452	0.915	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732620203	639813060	/nfs/dbraw/zinc/81/30/60/639813060.db2.gz	LZWUBAXBPRGUAP-UHFFFAOYSA-N	-1	0	389.371	0.965	20	5		GCBDRM
NC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1	ZINC000732619485	639813067	/nfs/dbraw/zinc/81/30/67/639813067.db2.gz	XWIUHTIHNNDGCL-UHFFFAOYSA-N	-1	0	384.395	0.943	20	5		GCBDRM
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O	ZINC000920333502	639920419	/nfs/dbraw/zinc/92/04/19/639920419.db2.gz	NKVSALHBHLKPPD-MRVPVSSYSA-N	-1	0	375.790	0.922	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)cc([N+](=O)[O-])c1	ZINC000920322755	639920659	/nfs/dbraw/zinc/92/06/59/639920659.db2.gz	RPQKFWACYFLDSY-UHFFFAOYSA-N	-1	0	385.379	0.512	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@]23CCC(=O)N2CCS3)ccc1[N+](=O)[O-]	ZINC000734737366	640001065	/nfs/dbraw/zinc/00/10/65/640001065.db2.gz	QAXYKVPXIOXKLI-AWEZNQCLSA-N	-1	0	385.423	0.774	20	5		GCBDRM
COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000741108360	640220452	/nfs/dbraw/zinc/22/04/52/640220452.db2.gz	BIKNXIICQKSLAE-UHFFFAOYSA-N	-1	0	388.383	0.535	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)N1CCc2sccc2C1	ZINC000741114603	640220470	/nfs/dbraw/zinc/22/04/70/640220470.db2.gz	BQJGKFJKDVXPDU-UHFFFAOYSA-N	-1	0	385.427	0.662	20	5		GCBDRM
COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000743048394	640252132	/nfs/dbraw/zinc/25/21/32/640252132.db2.gz	NCLVSYSOLRBWKK-UHFFFAOYSA-N	-1	0	375.750	0.814	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[N-]S(=O)(=O)C(C)C	ZINC000743496174	640255704	/nfs/dbraw/zinc/25/57/04/640255704.db2.gz	WFKYIPOYRBNBMO-SECBINFHSA-N	-1	0	393.443	0.894	20	5		GCBDRM
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)s1	ZINC000746428456	640293160	/nfs/dbraw/zinc/29/31/60/640293160.db2.gz	KMDPVTNNVFXZSX-UHFFFAOYSA-N	-1	0	386.411	0.750	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000754675519	640457255	/nfs/dbraw/zinc/45/72/55/640457255.db2.gz	SOBVTCXSVFQPMD-MRVPVSSYSA-N	-1	0	393.805	0.831	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)cc1[N+](=O)[O-]	ZINC000754684676	640457894	/nfs/dbraw/zinc/45/78/94/640457894.db2.gz	RNYVHYNJHRCAAC-UHFFFAOYSA-N	-1	0	386.773	0.497	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)OC)s2)n1	ZINC000755760520	640474878	/nfs/dbraw/zinc/47/48/78/640474878.db2.gz	ANDCETDZCYSBCL-UHFFFAOYSA-N	-1	0	388.383	0.778	20	5		GCBDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000758530302	640534204	/nfs/dbraw/zinc/53/42/04/640534204.db2.gz	QFLPAKPFLIIGRE-ZCFIWIBFSA-N	-1	0	379.778	0.835	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000761212741	640589486	/nfs/dbraw/zinc/58/94/86/640589486.db2.gz	PYTSQRYHDZQNMA-LURJTMIESA-N	-1	0	376.778	0.162	20	5		GCBDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000764186719	640641096	/nfs/dbraw/zinc/64/10/96/640641096.db2.gz	OXNQZMGMQAFKJN-MRVPVSSYSA-N	-1	0	391.427	0.267	20	5		GCBDRM
CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000764790053	640654890	/nfs/dbraw/zinc/65/48/90/640654890.db2.gz	MYWSZBQWVOTDEU-UHFFFAOYSA-N	-1	0	380.176	0.298	20	5		GCBDRM
Cc1c(Br)cc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1[N+](=O)[O-]	ZINC000766926218	640710999	/nfs/dbraw/zinc/71/09/99/640710999.db2.gz	HUSIKNOTIWWTPM-UHFFFAOYSA-N	-1	0	380.176	0.211	20	5		GCBDRM
NS(=O)(=O)c1ccc(F)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768830979	640761662	/nfs/dbraw/zinc/76/16/62/640761662.db2.gz	FRFMILBRKSIUPO-UHFFFAOYSA-N	-1	0	395.415	0.921	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1COCCO1	ZINC000770746039	640814190	/nfs/dbraw/zinc/81/41/90/640814190.db2.gz	JAVUKSREANOXFA-SNVBAGLBSA-N	-1	0	395.187	0.578	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1[N+](=O)[O-]	ZINC000772651657	640847000	/nfs/dbraw/zinc/84/70/00/640847000.db2.gz	FUJFMRHWYFJLAB-UHFFFAOYSA-N	-1	0	387.805	0.923	20	5		GCBDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-]	ZINC000776438688	641095524	/nfs/dbraw/zinc/09/55/24/641095524.db2.gz	YOSJARIRBVBIKU-ANLVUFKYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1	ZINC000776716168	641114294	/nfs/dbraw/zinc/11/42/94/641114294.db2.gz	SSMNWIZKPWSIMA-IUCAKERBSA-N	-1	0	389.411	0.352	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)cc1[N+](=O)[O-]	ZINC000861160570	641144336	/nfs/dbraw/zinc/14/43/36/641144336.db2.gz	ORWPVKCATQCDKI-UHFFFAOYSA-N	-1	0	398.365	0.856	20	5		GCBDRM
NC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[nH]n1	ZINC000778084469	641147554	/nfs/dbraw/zinc/14/75/54/641147554.db2.gz	ISGOIEAFHSNUPG-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000785082445	641302258	/nfs/dbraw/zinc/30/22/58/641302258.db2.gz	WWCGLLKPYIFCLS-SNVBAGLBSA-N	-1	0	393.443	0.460	20	5		GCBDRM
CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1	ZINC000788349788	641365327	/nfs/dbraw/zinc/36/53/27/641365327.db2.gz	TXFRAXYJBQMOMW-UHFFFAOYSA-N	-1	0	375.790	0.840	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CC1(CS(C)(=O)=O)CC1	ZINC000789475978	641390194	/nfs/dbraw/zinc/39/01/94/641390194.db2.gz	QWKGPGBNAIMJAD-UHFFFAOYSA-N	-1	0	390.439	0.923	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O	ZINC000791891605	641440558	/nfs/dbraw/zinc/44/05/58/641440558.db2.gz	PFXWMUMOSKSDCW-GFCCVEGCSA-N	-1	0	376.412	0.675	20	5		GCBDRM
NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000795175088	641510712	/nfs/dbraw/zinc/51/07/12/641510712.db2.gz	NEORUKOOBCORIP-LURJTMIESA-N	-1	0	397.196	0.810	20	5		GCBDRM
NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000795350978	641515689	/nfs/dbraw/zinc/51/56/89/641515689.db2.gz	AWSGNRWVLFWRMN-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000795354501	641516221	/nfs/dbraw/zinc/51/62/21/641516221.db2.gz	WNKHTVURTOIMBJ-UHFFFAOYSA-N	-1	0	390.175	0.980	20	5		GCBDRM
O=C(CCn1cnccc1=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000796692467	641546508	/nfs/dbraw/zinc/54/65/08/641546508.db2.gz	LXQFXKZSWHZPFH-UHFFFAOYSA-N	-1	0	386.773	0.700	20	5		GCBDRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000797068093	641556333	/nfs/dbraw/zinc/55/63/33/641556333.db2.gz	KTVSKXFXDNCEIL-UHFFFAOYSA-N	-1	0	375.750	0.353	20	5		GCBDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000797279548	641561730	/nfs/dbraw/zinc/56/17/30/641561730.db2.gz	CLDIIKFPNUUACO-LURJTMIESA-N	-1	0	382.297	0.817	20	5		GCBDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000797297705	641564530	/nfs/dbraw/zinc/56/45/30/641564530.db2.gz	LNVAZZMGNHDUSH-ZCFIWIBFSA-N	-1	0	395.187	0.978	20	5		GCBDRM
Cn1nnc(Br)c1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000810515867	641731905	/nfs/dbraw/zinc/73/19/05/641731905.db2.gz	XOQRQTRAPKHQRQ-UHFFFAOYSA-N	-1	0	390.175	0.605	20	5		GCBDRM
Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1=O	ZINC000815923702	641836837	/nfs/dbraw/zinc/83/68/37/641836837.db2.gz	COOOZEJLMMDKBK-UHFFFAOYSA-N	-1	0	389.777	0.039	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000815951626	641837967	/nfs/dbraw/zinc/83/79/67/641837967.db2.gz	KXLBMAMONKDJRK-LLVKDONJSA-N	-1	0	390.439	0.923	20	5		GCBDRM
CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000816714200	641860313	/nfs/dbraw/zinc/86/03/13/641860313.db2.gz	WMCYRAZNJONQRG-UHFFFAOYSA-N	-1	0	377.400	0.184	20	5		GCBDRM
CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800551524	642084743	/nfs/dbraw/zinc/08/47/43/642084743.db2.gz	IUXYLBZUAIYFMR-UHFFFAOYSA-N	-1	0	375.428	0.903	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000802052971	642142939	/nfs/dbraw/zinc/14/29/39/642142939.db2.gz	YHRPFWBKIWIJBQ-UHFFFAOYSA-N	-1	0	377.400	0.069	20	5		GCBDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000802162902	642147883	/nfs/dbraw/zinc/14/78/83/642147883.db2.gz	DIILUJRLFRAMPX-BDAKNGLRSA-N	-1	0	376.391	0.133	20	5		GCBDRM
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)c1	ZINC000841548772	642310852	/nfs/dbraw/zinc/31/08/52/642310852.db2.gz	QUVQJXSZHXJOIE-QMMMGPOBSA-N	-1	0	379.757	0.318	20	5		GCBDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000842356315	642332597	/nfs/dbraw/zinc/33/25/97/642332597.db2.gz	HQEUYUGHBRPLTR-UHFFFAOYSA-N	-1	0	395.187	0.980	20	5		GCBDRM
CCO[N-]C(=O)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1	ZINC000846494436	642488256	/nfs/dbraw/zinc/48/82/56/642488256.db2.gz	SRXWBDHYYBFWMC-UHFFFAOYSA-N	-1	0	393.137	0.997	20	5		GCBDRM
CCO[N-]C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000846497122	642488735	/nfs/dbraw/zinc/48/87/35/642488735.db2.gz	LBXONOAGHDKKAH-UHFFFAOYSA-N	-1	0	393.137	0.997	20	5		GCBDRM
COCCCOCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000850891428	642701205	/nfs/dbraw/zinc/70/12/05/642701205.db2.gz	GCBXWHOGHADTNG-UHFFFAOYSA-N	-1	0	376.387	0.852	20	5		GCBDRM
COc1cc(CS(=O)(=O)[N-]C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)sn1	ZINC000851436073	642721051	/nfs/dbraw/zinc/72/10/51/642721051.db2.gz	ODDCPSLNWOOAMV-UHFFFAOYSA-N	-1	0	389.415	0.638	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C/C=C\CNC(=O)OC(C)(C)C)n1	ZINC000859103197	642980062	/nfs/dbraw/zinc/98/00/62/642980062.db2.gz	IJZLXNCVRAVBDV-WAYWQWQTSA-N	-1	0	375.407	0.688	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	ZINC000860541578	643036532	/nfs/dbraw/zinc/03/65/32/643036532.db2.gz	XXTSRWYUYVVCDL-SQFXPHBZSA-N	-1	0	388.379	0.182	20	5		GCBDRM
O=C([O-])c1coc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000568987362	1192354830	/nfs/dbraw/zinc/35/48/30/1192354830.db2.gz	YNUMFJYBSSISIK-UHFFFAOYSA-N	-1	0	382.354	0.792	20	5		GCBDRM
CC(=O)N1CCC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC000279920353	1192693348	/nfs/dbraw/zinc/69/33/48/1192693348.db2.gz	FCXOSUKKDGTEQQ-LLVKDONJSA-N	-1	0	385.398	0.830	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@]12CCOC2	ZINC000572680182	1192755068	/nfs/dbraw/zinc/75/50/68/1192755068.db2.gz	RJCGWIAFICFIDP-XJKSGUPXSA-N	-1	0	384.410	0.890	20	5		GCBDRM
O=C([O-])C1(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1	ZINC000473398022	1192886235	/nfs/dbraw/zinc/88/62/35/1192886235.db2.gz	FERVWGHCYWMZMA-UHFFFAOYSA-N	-1	0	385.398	0.634	20	5		GCBDRM
O=C([O-])C1(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1	ZINC000473419275	1192894364	/nfs/dbraw/zinc/89/43/64/1192894364.db2.gz	SFVPYGJQRKWTCC-UHFFFAOYSA-N	-1	0	385.398	0.634	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000274942034	1184437360	/nfs/dbraw/zinc/43/73/60/1184437360.db2.gz	GJVZFCGBUYYKJO-NSHDSACASA-N	-1	0	385.398	0.423	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000274950919	1184437825	/nfs/dbraw/zinc/43/78/25/1184437825.db2.gz	AIFHCYZTZOTQPN-NSHDSACASA-N	-1	0	397.409	0.681	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000274970444	1184442644	/nfs/dbraw/zinc/44/26/44/1184442644.db2.gz	CHJFMTRABJYDEE-VXGBXAGGSA-N	-1	0	397.409	0.599	20	5		GCBDRM
CCC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-]	ZINC000274984172	1184446661	/nfs/dbraw/zinc/44/66/61/1184446661.db2.gz	KBYBNYOCDVTTHZ-NSHDSACASA-N	-1	0	388.354	0.482	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)C1	ZINC000275107752	1184511760	/nfs/dbraw/zinc/51/17/60/1184511760.db2.gz	MMRVHRDTSVSWLC-GHMZBOCLSA-N	-1	0	383.382	0.291	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1	ZINC000275109160	1184514200	/nfs/dbraw/zinc/51/42/00/1184514200.db2.gz	MQEDFVBKFPEOHT-JQWIXIFHSA-N	-1	0	383.382	0.291	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000275168886	1184540181	/nfs/dbraw/zinc/54/01/81/1184540181.db2.gz	BSTHJFPNKIVKCQ-LLVKDONJSA-N	-1	0	384.370	0.311	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000275211728	1184553664	/nfs/dbraw/zinc/55/36/64/1184553664.db2.gz	ZTKRVXTYZMAIGJ-DGCLKSJQSA-N	-1	0	397.409	0.599	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000275348312	1184621584	/nfs/dbraw/zinc/62/15/84/1184621584.db2.gz	VYMBTSHKGKRVTG-CYBMUJFWSA-N	-1	0	382.398	0.865	20	5		GCBDRM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1	ZINC000610269765	1184718354	/nfs/dbraw/zinc/71/83/54/1184718354.db2.gz	IPEJQMJYHVDHLB-SKDRFNHKSA-N	-1	0	397.388	0.940	20	5		GCBDRM
COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c[nH]1	ZINC000547892300	1184738541	/nfs/dbraw/zinc/73/85/41/1184738541.db2.gz	RYCKTJYXKWATEA-NSHDSACASA-N	-1	0	397.365	0.684	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1	ZINC000547919059	1184767339	/nfs/dbraw/zinc/76/73/39/1184767339.db2.gz	WNYAOBWYXHYTQW-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000579965392	1184838198	/nfs/dbraw/zinc/83/81/98/1184838198.db2.gz	AJPOCXJTMOGHDL-UHFFFAOYSA-N	-1	0	389.386	0.018	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000579587532	1185205353	/nfs/dbraw/zinc/20/53/53/1185205353.db2.gz	OTHIDMUOFGNQPM-BMIGLBTASA-N	-1	0	386.382	0.909	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1	ZINC000050208264	1185218940	/nfs/dbraw/zinc/21/89/40/1185218940.db2.gz	RJYUWLHAELRUBC-UHFFFAOYSA-N	-1	0	392.393	0.919	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000262172014	1185394155	/nfs/dbraw/zinc/39/41/55/1185394155.db2.gz	LOJAZPJOGOAHIO-SNVBAGLBSA-N	-1	0	389.368	0.866	20	5		GCBDRM
C[C@@H]1OCC[C@]12CN(S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CCO2	ZINC000581314662	1185586866	/nfs/dbraw/zinc/58/68/66/1185586866.db2.gz	ZOZMZNPONPJCLQ-BONVTDFDSA-N	-1	0	386.382	0.862	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1	ZINC000262321550	1185746339	/nfs/dbraw/zinc/74/63/39/1185746339.db2.gz	RMZOHFMGXIRQIT-UHFFFAOYSA-N	-1	0	397.409	0.601	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cn1nc(C)cc1C)C(=O)[O-]	ZINC000548206801	1185881911	/nfs/dbraw/zinc/88/19/11/1185881911.db2.gz	IXECEBIQRUAGJS-LBPRGKRZSA-N	-1	0	398.397	0.848	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-]	ZINC000548206800	1185882475	/nfs/dbraw/zinc/88/24/75/1185882475.db2.gz	IXECEBIQRUAGJS-GFCCVEGCSA-N	-1	0	398.397	0.848	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548205679	1185883189	/nfs/dbraw/zinc/88/31/89/1185883189.db2.gz	KSGMGAQSWXXAJJ-LLVKDONJSA-N	-1	0	384.370	0.540	20	5		GCBDRM
CCn1cc(S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548222243	1185894942	/nfs/dbraw/zinc/89/49/42/1185894942.db2.gz	BWSKVJLARRZLLU-SNVBAGLBSA-N	-1	0	383.386	0.870	20	5		GCBDRM
COCCN(CC(=O)[O-])C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000610843982	1186244656	/nfs/dbraw/zinc/24/46/56/1186244656.db2.gz	OPVZYWWNGISQMM-UHFFFAOYSA-N	-1	0	381.341	0.843	20	5		GCBDRM
O=C([O-])CN(CC1CC1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000610844612	1186245152	/nfs/dbraw/zinc/24/51/52/1186245152.db2.gz	BRVUYMVITPEDCO-UHFFFAOYSA-N	-1	0	385.398	0.586	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1[N+](=O)[O-]	ZINC000277233190	1186300206	/nfs/dbraw/zinc/30/02/06/1186300206.db2.gz	JLUGRTSTHLRRMS-NSHDSACASA-N	-1	0	385.398	0.423	20	5		GCBDRM
CCOC(=O)c1cc(S(=O)(=O)N[C@H](COC)C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000548544592	1186309630	/nfs/dbraw/zinc/30/96/30/1186309630.db2.gz	HOBOGNZMAJDXRY-LLVKDONJSA-N	-1	0	390.370	0.458	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000277301915	1186323946	/nfs/dbraw/zinc/32/39/46/1186323946.db2.gz	LEGVVIPAKQOOCM-UHFFFAOYSA-N	-1	0	389.321	0.011	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c([N+](=O)[O-])c1	ZINC000548579327	1186326126	/nfs/dbraw/zinc/32/61/26/1186326126.db2.gz	HAEXGAWDPIQAFD-RYUDHWBXSA-N	-1	0	397.409	0.599	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c([N+](=O)[O-])c1	ZINC000548579328	1186326221	/nfs/dbraw/zinc/32/62/21/1186326221.db2.gz	HAEXGAWDPIQAFD-VXGBXAGGSA-N	-1	0	397.409	0.599	20	5		GCBDRM
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC1(C(=O)[O-])CCOCC1	ZINC000262989873	1186334749	/nfs/dbraw/zinc/33/47/49/1186334749.db2.gz	SHFIBTQCXUNDOA-UHFFFAOYSA-N	-1	0	379.369	0.712	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000263038169	1186339719	/nfs/dbraw/zinc/33/97/19/1186339719.db2.gz	VKWDXJBHRYTNIW-PIGZYNQJSA-N	-1	0	379.369	0.663	20	5		GCBDRM
O=C([O-])c1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1	ZINC000551484823	1186421960	/nfs/dbraw/zinc/42/19/60/1186421960.db2.gz	RKVQCAITUOZNEW-UHFFFAOYSA-N	-1	0	394.365	0.396	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1=O	ZINC000478992345	1186547436	/nfs/dbraw/zinc/54/74/36/1186547436.db2.gz	AZBYGQMMEFOABP-GWCFXTLKSA-N	-1	0	382.348	0.756	20	5		GCBDRM
CCCc1n[nH]c(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1[N+](=O)[O-]	ZINC000479001702	1186548283	/nfs/dbraw/zinc/54/82/83/1186548283.db2.gz	PGKAHZCLMHBSPW-JQWIXIFHSA-N	-1	0	381.389	0.710	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000277638464	1186549383	/nfs/dbraw/zinc/54/93/83/1186549383.db2.gz	NKEQRWKEZIFEFL-UHFFFAOYSA-N	-1	0	398.441	0.781	20	5		GCBDRM
CN1CCN(C(=O)Cn2cc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cn2)CC1	ZINC000511160331	1186566048	/nfs/dbraw/zinc/56/60/48/1186566048.db2.gz	KLQOCEILMRRNTA-UHFFFAOYSA-N	-1	0	388.384	0.523	20	5		GCBDRM
O=C(Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1)N1CCS(=O)(=O)CC1	ZINC000277859107	1186649897	/nfs/dbraw/zinc/64/98/97/1186649897.db2.gz	HIADAODPSMGZPZ-UHFFFAOYSA-N	-1	0	382.354	0.150	20	5		GCBDRM
CCCN1C[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC000583937817	1186964902	/nfs/dbraw/zinc/96/49/02/1186964902.db2.gz	BRDAIFSFEGMKHN-JTQLQIEISA-N	-1	0	385.398	0.830	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	ZINC000278697986	1187024045	/nfs/dbraw/zinc/02/40/45/1187024045.db2.gz	NAUQLYHHGKJNGQ-PELKAZGASA-N	-1	0	388.354	0.244	20	5		GCBDRM
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ccnc(Cl)c1	ZINC000782639851	1187573918	/nfs/dbraw/zinc/57/39/18/1187573918.db2.gz	JSZXFRFSGROSBH-UHFFFAOYSA-N	-1	0	398.784	0.878	20	5		GCBDRM
CC(=O)NCC1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC000580836937	1187700260	/nfs/dbraw/zinc/70/02/60/1187700260.db2.gz	LBZCBZZQSKIOCW-UHFFFAOYSA-N	-1	0	385.398	0.830	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)c([N+](=O)[O-])c1	ZINC000581373235	1187714525	/nfs/dbraw/zinc/71/45/25/1187714525.db2.gz	NYTKKQGDGBMQHH-MNOVXSKESA-N	-1	0	383.382	0.725	20	5		GCBDRM
COCCn1cc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1	ZINC000414337952	1187840998	/nfs/dbraw/zinc/84/09/98/1187840998.db2.gz	INSXEYOWCFGAOU-UHFFFAOYSA-N	-1	0	384.370	0.614	20	5		GCBDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000414445756	1187937692	/nfs/dbraw/zinc/93/76/92/1187937692.db2.gz	NIAAIGDHURTNFX-WDEREUQCSA-N	-1	0	385.398	0.490	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CNC(=O)C2)C1	ZINC000378199114	1189440875	/nfs/dbraw/zinc/44/08/75/1189440875.db2.gz	DFJBIIJQWKZWMP-OAHLLOKOSA-N	-1	0	383.382	0.502	20	5		GCBDRM
COC(=O)CCCO[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000290720576	1189492915	/nfs/dbraw/zinc/49/29/15/1189492915.db2.gz	RURHEYOSYJLMCD-UHFFFAOYSA-N	-1	0	389.386	0.216	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)cc([N+](=O)[O-])c1	ZINC000431864910	1189497032	/nfs/dbraw/zinc/49/70/32/1189497032.db2.gz	ZDKYRRNCRKXRGW-UHFFFAOYSA-N	-1	0	386.382	0.610	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000417449151	1189664677	/nfs/dbraw/zinc/66/46/77/1189664677.db2.gz	XNDHLFFXFWXLHN-UONOGXRCSA-N	-1	0	399.425	0.724	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O	ZINC000417445161	1189665979	/nfs/dbraw/zinc/66/59/79/1189665979.db2.gz	FRZSNNNNCQFVKZ-CHWSQXEVSA-N	-1	0	385.398	0.583	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000417447407	1189667187	/nfs/dbraw/zinc/66/71/87/1189667187.db2.gz	PJXOCRPHFPKJFK-ZWNOBZJWSA-N	-1	0	385.398	0.583	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417448347	1189667708	/nfs/dbraw/zinc/66/77/08/1189667708.db2.gz	UGRIAKRBNCXNII-TZMCWYRMSA-N	-1	0	399.425	0.892	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cn1	ZINC000759807508	1189744447	/nfs/dbraw/zinc/74/44/47/1189744447.db2.gz	VVMOQCDWEVFNMT-UHFFFAOYSA-N	-1	0	395.349	0.888	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432120451	1189877752	/nfs/dbraw/zinc/87/77/52/1189877752.db2.gz	ABQMWIKBJHCLOB-STQMWFEESA-N	-1	0	385.398	0.883	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432120448	1189877817	/nfs/dbraw/zinc/87/78/17/1189877817.db2.gz	ABQMWIKBJHCLOB-CHWSQXEVSA-N	-1	0	385.398	0.883	20	5		GCBDRM
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000487350629	1190015680	/nfs/dbraw/zinc/01/56/80/1190015680.db2.gz	HFBMPQZFUXIWSG-RKDXNWHRSA-N	-1	0	391.377	0.469	20	5		GCBDRM
COc1cc(CCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000420538868	1194233879	/nfs/dbraw/zinc/23/38/79/1194233879.db2.gz	RGNQBXRTJBNQEG-JTQLQIEISA-N	-1	0	397.384	0.450	20	5		GCBDRM
Cc1ccc(NCCCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000420557031	1194240098	/nfs/dbraw/zinc/24/00/98/1194240098.db2.gz	LIJYKVROVQHPSJ-LBPRGKRZSA-N	-1	0	378.385	0.755	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000422665182	1194685144	/nfs/dbraw/zinc/68/51/44/1194685144.db2.gz	VNRPMBVUYRSGSY-LLVKDONJSA-N	-1	0	379.325	0.704	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O	ZINC000422679779	1194688755	/nfs/dbraw/zinc/68/87/55/1194688755.db2.gz	WLXAVQKPSHILCU-OLZOCXBDSA-N	-1	0	392.368	0.360	20	5		GCBDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(=O)[O-]	ZINC000422762847	1194699098	/nfs/dbraw/zinc/69/90/98/1194699098.db2.gz	MYOOZXSOLWTHMZ-LBPRGKRZSA-N	-1	0	378.385	0.423	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000422918952	1194710886	/nfs/dbraw/zinc/71/08/86/1194710886.db2.gz	JDMIZHBVYPSSJL-NEPJUHHUSA-N	-1	0	391.380	0.754	20	5		GCBDRM
CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1C	ZINC000504251249	1194770063	/nfs/dbraw/zinc/77/00/63/1194770063.db2.gz	CBHUOHJIPVNFPQ-UHFFFAOYSA-N	-1	0	383.386	0.655	20	5		GCBDRM
COc1cc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1OC	ZINC000424233260	1194806304	/nfs/dbraw/zinc/80/63/04/1194806304.db2.gz	PLPZQSCZISRMHW-SECBINFHSA-N	-1	0	393.312	0.018	20	5		GCBDRM
CCC(CC)(CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000424250554	1194806677	/nfs/dbraw/zinc/80/66/77/1194806677.db2.gz	OWZXXOCNXSNPND-UHFFFAOYSA-N	-1	0	387.414	0.880	20	5		GCBDRM
CC(C)C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000424248921	1194806785	/nfs/dbraw/zinc/80/67/85/1194806785.db2.gz	NPSBYBGXXXUUDK-NSHDSACASA-N	-1	0	387.414	0.736	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-]	ZINC000424396975	1194810699	/nfs/dbraw/zinc/81/06/99/1194810699.db2.gz	YUYLTRSGBIOISM-SNVBAGLBSA-N	-1	0	397.369	0.112	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-]	ZINC000424396974	1194810777	/nfs/dbraw/zinc/81/07/77/1194810777.db2.gz	YUYLTRSGBIOISM-JTQLQIEISA-N	-1	0	397.369	0.112	20	5		GCBDRM
O=C([O-])[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424477675	1194814498	/nfs/dbraw/zinc/81/44/98/1194814498.db2.gz	WDJFCHVZDFMFJC-ZDUSSCGKSA-N	-1	0	383.382	0.175	20	5		GCBDRM
CC(C)C[C@H](CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-]	ZINC000424511279	1194815492	/nfs/dbraw/zinc/81/54/92/1194815492.db2.gz	YSIQUWZKSJRYTD-SNVBAGLBSA-N	-1	0	391.384	0.950	20	5		GCBDRM
CC(C)(CCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)[O-]	ZINC000424485620	1194815716	/nfs/dbraw/zinc/81/57/16/1194815716.db2.gz	YNUIUANUBNFUAC-UHFFFAOYSA-N	-1	0	381.389	0.572	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)ccc1[N+](=O)[O-]	ZINC000514793176	1194910059	/nfs/dbraw/zinc/91/00/59/1194910059.db2.gz	QNRRAENZBQJFOU-SNVBAGLBSA-N	-1	0	381.370	0.910	20	5		GCBDRM
COc1ccc(CC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1[N+](=O)[O-]	ZINC000514822633	1194915015	/nfs/dbraw/zinc/91/50/15/1194915015.db2.gz	ZCJDIHYGKFCHHX-BLLLJJGKSA-N	-1	0	393.396	0.972	20	5		GCBDRM
C[C@H]1[C@H](C(=O)[O-])CCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000514938835	1194930992	/nfs/dbraw/zinc/93/09/92/1194930992.db2.gz	HPLMHPZRSDNQHW-WCQYABFASA-N	-1	0	399.425	0.915	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@@H]21	ZINC000505828821	1195009458	/nfs/dbraw/zinc/00/94/58/1195009458.db2.gz	YGDFHKIUYZGNSJ-KBPBESRZSA-N	-1	0	399.425	0.695	20	5		GCBDRM
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000436673801	1195023814	/nfs/dbraw/zinc/02/38/14/1195023814.db2.gz	MPNWEOFJHPEALZ-UHFFFAOYSA-N	-1	0	392.393	0.842	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436772304	1195035152	/nfs/dbraw/zinc/03/51/52/1195035152.db2.gz	DRCZBHVTMSJVHB-LBPRGKRZSA-N	-1	0	386.430	0.691	20	5		GCBDRM
COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1S(N)(=O)=O	ZINC000436928503	1195048183	/nfs/dbraw/zinc/04/81/83/1195048183.db2.gz	RESFFMAEWMWUMS-UHFFFAOYSA-N	-1	0	381.366	0.886	20	5		GCBDRM
C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000436967471	1195050871	/nfs/dbraw/zinc/05/08/71/1195050871.db2.gz	STDKJJLLADOUEY-CYBMUJFWSA-N	-1	0	392.412	0.306	20	5		GCBDRM
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436953476	1195051222	/nfs/dbraw/zinc/05/12/22/1195051222.db2.gz	PTSNHDIGSDUQIX-SNVBAGLBSA-N	-1	0	385.398	0.066	20	5		GCBDRM
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000436988763	1195054100	/nfs/dbraw/zinc/05/41/00/1195054100.db2.gz	MKABUPSXGBXJDX-ZDUSSCGKSA-N	-1	0	394.428	0.599	20	5		GCBDRM
O=c1nc2[nH]cc(S(=O)(=O)NCCc3ccc([N+](=O)[O-])cc3)cc-2c(=O)[n-]1	ZINC000437220477	1195084893	/nfs/dbraw/zinc/08/48/93/1195084893.db2.gz	YSDVMTIXEVIXOK-UHFFFAOYSA-N	-1	0	391.365	0.865	20	5		GCBDRM
CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)N1CCOCC1	ZINC000437321665	1195095839	/nfs/dbraw/zinc/09/58/39/1195095839.db2.gz	GYIKJIBGZUJXSV-ZDUSSCGKSA-N	-1	0	389.405	0.896	20	5		GCBDRM
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000506187162	1195193577	/nfs/dbraw/zinc/19/35/77/1195193577.db2.gz	CFRDJXPQOWUDRQ-CYBMUJFWSA-N	-1	0	394.428	0.599	20	5		GCBDRM
CC(=O)N1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000517748623	1195214063	/nfs/dbraw/zinc/21/40/63/1195214063.db2.gz	ZCXONGVAODKQBE-UHFFFAOYSA-N	-1	0	385.398	0.830	20	5		GCBDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cn1	ZINC000438722803	1195242866	/nfs/dbraw/zinc/24/28/66/1195242866.db2.gz	MBBSIPSDYIFLHN-UHFFFAOYSA-N	-1	0	398.353	0.552	20	5		GCBDRM
O=C(NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)c1cc([N+](=O)[O-])c[nH]1	ZINC000437932391	1195337199	/nfs/dbraw/zinc/33/71/99/1195337199.db2.gz	ZLFUSPDKBAGIOR-UHFFFAOYSA-N	-1	0	399.351	0.514	20	5		GCBDRM
COC(=O)CC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS(=O)(=O)CC1	ZINC000440127195	1195386173	/nfs/dbraw/zinc/38/61/73/1195386173.db2.gz	GGOMDNDRKVVVPA-UHFFFAOYSA-N	-1	0	386.382	0.541	20	5		GCBDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1[N+](=O)[O-]	ZINC000473728552	1195450302	/nfs/dbraw/zinc/45/03/02/1195450302.db2.gz	JNYJBEIIXOEPDT-FZMZJTMJSA-N	-1	0	387.352	0.783	20	5		GCBDRM
O=C(c1ccc(NCCCc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000427367807	1195531514	/nfs/dbraw/zinc/53/15/14/1195531514.db2.gz	UZSPSJFDNMVRJM-UHFFFAOYSA-N	-1	0	376.373	0.936	20	5		GCBDRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000262226704	1196089661	/nfs/dbraw/zinc/08/96/61/1196089661.db2.gz	RVDSQSHKYYKBQX-NSHDSACASA-N	-1	0	381.389	0.308	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000262516348	1196458195	/nfs/dbraw/zinc/45/81/95/1196458195.db2.gz	LIURPCDZGLYQSD-UHFFFAOYSA-N	-1	0	379.369	0.999	20	5		GCBDRM
Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)cnc21	ZINC000475788037	1197230712	/nfs/dbraw/zinc/23/07/12/1197230712.db2.gz	HEMJRHCZKGMXMW-UHFFFAOYSA-N	-1	0	395.328	0.882	20	5		GCBDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000263328028	1197260511	/nfs/dbraw/zinc/26/05/11/1197260511.db2.gz	KXQGJKHVQFZRBO-VXGBXAGGSA-N	-1	0	399.425	0.785	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc([N+](=O)[O-])c1	ZINC000532793641	1197412178	/nfs/dbraw/zinc/41/21/78/1197412178.db2.gz	OAPLJIIYXVGZOI-SECBINFHSA-N	-1	0	380.386	0.531	20	5		GCBDRM
O=C([O-])C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000532874783	1197417130	/nfs/dbraw/zinc/41/71/30/1197417130.db2.gz	PYLSTBWYJVFOMC-GFCCVEGCSA-N	-1	0	399.425	0.977	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c([N+](=O)[O-])c1	ZINC000533113866	1197433318	/nfs/dbraw/zinc/43/33/18/1197433318.db2.gz	VJCMAKJZKPHLNK-SNVBAGLBSA-N	-1	0	391.413	0.705	20	5		GCBDRM
O=C(Cn1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1)N1CCOCC1	ZINC000273475871	1199017205	/nfs/dbraw/zinc/01/72/05/1199017205.db2.gz	YQPSEZYGDUBXAL-UHFFFAOYSA-N	-1	0	375.341	0.608	20	5		GCBDRM
CN(C)S(=O)(=O)[N-]C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-]	ZINC001117112134	1199227942	/nfs/dbraw/zinc/22/79/42/1199227942.db2.gz	FBXZAWNJXMCSOM-UHFFFAOYSA-N	-1	0	395.235	0.716	20	5		GCBDRM
Cc1[nH]nc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c1[N+](=O)[O-]	ZINC000609171219	1200716319	/nfs/dbraw/zinc/71/63/19/1200716319.db2.gz	HOYCMXBXCVUGCT-UHFFFAOYSA-N	-1	0	376.377	0.873	20	5		GCBDRM
Cc1c(CNC(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cccc1[N+](=O)[O-]	ZINC000595237793	1200729444	/nfs/dbraw/zinc/72/94/44/1200729444.db2.gz	JUSBHVHUOADCSP-UHFFFAOYSA-N	-1	0	389.368	1.174	20	5		GCBDRM
O=C(COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc([N+](=O)[O-])ccc1F	ZINC000730657370	1201458016	/nfs/dbraw/zinc/45/80/16/1201458016.db2.gz	PWQYSBQSTVUKPT-UHFFFAOYSA-N	-1	0	390.287	0.300	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000731521208	1201486558	/nfs/dbraw/zinc/48/65/58/1201486558.db2.gz	UIYWHCJSCPNUCE-ZDUSSCGKSA-N	-1	0	398.335	0.328	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)c1cc(F)cc([N+](=O)[O-])c1	ZINC000731547104	1201488438	/nfs/dbraw/zinc/48/84/38/1201488438.db2.gz	OXEFNAQUUPUJAN-UHFFFAOYSA-N	-1	0	392.328	0.828	20	5		GCBDRM
O=C(Cn1c(=O)cnc2ccccc21)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732619513	1201550636	/nfs/dbraw/zinc/55/06/36/1201550636.db2.gz	YVFKUEYMAKMTJK-UHFFFAOYSA-N	-1	0	394.390	0.871	20	5		GCBDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733716944	1201604517	/nfs/dbraw/zinc/60/45/17/1201604517.db2.gz	XOURCXJOQQEWGO-UWVGGRQHSA-N	-1	0	389.386	0.273	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000733722327	1201605211	/nfs/dbraw/zinc/60/52/11/1201605211.db2.gz	WOPSOYMJGGITIT-GFCCVEGCSA-N	-1	0	380.382	0.844	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000734089663	1201642190	/nfs/dbraw/zinc/64/21/90/1201642190.db2.gz	WTNWLVCWISFMQZ-UHFFFAOYSA-N	-1	0	396.381	0.793	20	5		GCBDRM
O=C(COC1CCOCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000735399361	1201687613	/nfs/dbraw/zinc/68/76/13/1201687613.db2.gz	LBTZNGHORAQECH-UHFFFAOYSA-N	-1	0	389.342	0.504	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccccc1[N+](=O)[O-]	ZINC000735404457	1201688347	/nfs/dbraw/zinc/68/83/47/1201688347.db2.gz	XWFXLJKHPCRMSD-UHFFFAOYSA-N	-1	0	375.362	0.999	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1	ZINC000735782565	1201701647	/nfs/dbraw/zinc/70/16/47/1201701647.db2.gz	MVEKCZBIPPHSMH-UHFFFAOYSA-N	-1	0	394.344	0.621	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000736166639	1201709798	/nfs/dbraw/zinc/70/97/98/1201709798.db2.gz	HMZZRDJRAIDFBX-SNVBAGLBSA-N	-1	0	384.356	0.087	20	5		GCBDRM
COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C	ZINC000741435601	1201779549	/nfs/dbraw/zinc/77/95/49/1201779549.db2.gz	PCRGSJWDFAECCP-AWEZNQCLSA-N	-1	0	387.414	0.495	20	5		GCBDRM
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000746444203	1201922981	/nfs/dbraw/zinc/92/29/81/1201922981.db2.gz	JWFALLBGBWQEMB-UHFFFAOYSA-N	-1	0	395.393	0.970	20	5		GCBDRM
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[N-]S(=O)(=O)c1ccsc1	ZINC000766444897	1201924989	/nfs/dbraw/zinc/92/49/89/1201924989.db2.gz	SENWLFIKLBMASM-UHFFFAOYSA-N	-1	0	395.374	0.757	20	5		GCBDRM
COCCCCS(=O)(=O)[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	ZINC000766969156	1201963617	/nfs/dbraw/zinc/96/36/17/1201963617.db2.gz	WNMVCTOBUDQUHJ-UHFFFAOYSA-N	-1	0	397.413	0.970	20	5		GCBDRM
COCCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000770151362	1202085658	/nfs/dbraw/zinc/08/56/58/1202085658.db2.gz	XDHUFXZUOXQQPU-UHFFFAOYSA-N	-1	0	382.354	0.529	20	5		GCBDRM
COc1ccc(NC(=O)COC(=O)c2cc(=O)[n-]c(OC)n2)c([N+](=O)[O-])c1	ZINC000770515963	1202101771	/nfs/dbraw/zinc/10/17/71/1202101771.db2.gz	HHNAVNFKXCPVIR-UHFFFAOYSA-N	-1	0	378.297	0.903	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1sccc1-n1cnnn1	ZINC000770773499	1202110777	/nfs/dbraw/zinc/11/07/77/1202110777.db2.gz	SQFOSYLYXJDIJF-UHFFFAOYSA-N	-1	0	398.357	0.890	20	5		GCBDRM
O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770774050	1202110796	/nfs/dbraw/zinc/11/07/96/1202110796.db2.gz	VKILXVYLHDCWGY-UHFFFAOYSA-N	-1	0	387.345	0.468	20	5		GCBDRM
C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770777004	1202112814	/nfs/dbraw/zinc/11/28/14/1202112814.db2.gz	TZWXGNQMTCODOG-QMMMGPOBSA-N	-1	0	385.329	0.950	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O	ZINC000789479295	1205442033	/nfs/dbraw/zinc/44/20/33/1205442033.db2.gz	JEOSNQHFGHRUIL-UHFFFAOYSA-N	-1	0	384.370	0.040	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000793332523	1205498174	/nfs/dbraw/zinc/49/81/74/1205498174.db2.gz	NWIFSZJDEBMDIL-UHFFFAOYSA-N	-1	0	397.344	0.320	20	5		GCBDRM
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)Cc1ccon1	ZINC000747183255	1205513087	/nfs/dbraw/zinc/51/30/87/1205513087.db2.gz	RZSIPCMDCBAPIQ-UHFFFAOYSA-N	-1	0	382.354	0.349	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000809036885	1205617988	/nfs/dbraw/zinc/61/79/88/1205617988.db2.gz	BKGLUUKLOISWDB-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)CC2	ZINC000810537818	1205640028	/nfs/dbraw/zinc/64/00/28/1205640028.db2.gz	HRYGCJDHBZNVIP-MRVPVSSYSA-N	-1	0	383.361	0.472	20	5		GCBDRM
COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000811673671	1205654542	/nfs/dbraw/zinc/65/45/42/1205654542.db2.gz	NWEXJYWGPHAIOS-XLKFXECMSA-N	-1	0	385.354	0.868	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1	ZINC000813945198	1205682524	/nfs/dbraw/zinc/68/25/24/1205682524.db2.gz	FECUSGDGKGUREV-DAXSKMNVSA-N	-1	0	382.398	0.133	20	5		GCBDRM
CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2C)cc([N+](=O)[O-])c1	ZINC000813953586	1205683745	/nfs/dbraw/zinc/68/37/45/1205683745.db2.gz	YGJKQRLSHRUMRM-UHFFFAOYSA-N	-1	0	396.381	0.932	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	ZINC000813989572	1205683926	/nfs/dbraw/zinc/68/39/26/1205683926.db2.gz	NJTTXBYTSOWYGB-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
COc1cc(OCC(=O)[N-]S(=O)(=O)c2c(C)cnn2C)ccc1[N+](=O)[O-]	ZINC000813990868	1205683949	/nfs/dbraw/zinc/68/39/49/1205683949.db2.gz	VEIMWLWSNZXVIK-UHFFFAOYSA-N	-1	0	384.370	0.529	20	5		GCBDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000813986934	1205684688	/nfs/dbraw/zinc/68/46/88/1205684688.db2.gz	WBLAKBQGWUUBHB-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
CO[N-]C(=O)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C	ZINC001134635660	1205695700	/nfs/dbraw/zinc/69/57/00/1205695700.db2.gz	YEUPJGRASJDWST-UHFFFAOYSA-N	-1	0	393.137	0.915	20	5		GCBDRM
Cc1ncc(NC2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)[nH]1	ZINC001173696495	1205726695	/nfs/dbraw/zinc/72/66/95/1205726695.db2.gz	YSLBUIYYJACPJD-CYBMUJFWSA-N	-1	0	393.425	0.736	20	5		GCBDRM
Cn1cc(Br)c(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])n1	ZINC001190475520	1206036265	/nfs/dbraw/zinc/03/62/65/1206036265.db2.gz	VHOIPEXJJZFXFH-UHFFFAOYSA-N	-1	0	376.192	0.964	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCCOC1	ZINC000262861454	939081000	/nfs/dbraw/zinc/08/10/00/939081000.db2.gz	UEQZHJZNUBFCPQ-QMTHXVAHSA-N	-1	0	375.341	0.785	20	5		GCBDRM
O=C([O-])[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1	ZINC000262913016	939085469	/nfs/dbraw/zinc/08/54/69/939085469.db2.gz	YREDSBHDMLCHKI-HWPZZCPQSA-N	-1	0	393.352	0.316	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1[N+](=O)[O-]	ZINC000832716817	939220895	/nfs/dbraw/zinc/22/08/95/939220895.db2.gz	YVMPTPRQNQHCGY-ZDUSSCGKSA-N	-1	0	379.350	0.949	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CCCO)CC2)c1-c1nnn[n-]1	ZINC000826499972	948415793	/nfs/dbraw/zinc/41/57/93/948415793.db2.gz	HASQLHDZQALMRD-UHFFFAOYSA-N	-1	0	396.429	0.948	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000262444148	950126048	/nfs/dbraw/zinc/12/60/48/950126048.db2.gz	QEVDCIYEQXKLCD-NSHDSACASA-N	-1	0	387.414	0.378	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262957558	950197800	/nfs/dbraw/zinc/19/78/00/950197800.db2.gz	NMTPKCDSZBRNEJ-QGZVFWFLSA-N	-1	0	379.369	0.664	20	5		GCBDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263131609	950284118	/nfs/dbraw/zinc/28/41/18/950284118.db2.gz	CYAZNPBAZOFQAS-NWDGAFQWSA-N	-1	0	399.425	0.832	20	5		GCBDRM
O=C([O-])CN1CCC[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1=O	ZINC001595085452	951722625	/nfs/dbraw/zinc/72/26/25/951722625.db2.gz	AFINCZUDIJUGHB-CQSZACIVSA-N	-1	0	377.353	0.508	20	5		GCBDRM
C[C@H](C(=O)[O-])N(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000417431536	953411248	/nfs/dbraw/zinc/41/12/48/953411248.db2.gz	FUHWMWSHTJWMOT-SNVBAGLBSA-N	-1	0	385.398	0.727	20	5		GCBDRM
C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)[O-]	ZINC000424255141	953437580	/nfs/dbraw/zinc/43/75/80/953437580.db2.gz	LOUDEKNWYYLJOS-IAQYHMDHSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-]	ZINC000424270323	953447987	/nfs/dbraw/zinc/44/79/87/953447987.db2.gz	XVDUOXIMWJJGPM-IAQYHMDHSA-N	-1	0	399.425	0.975	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000471453167	953520041	/nfs/dbraw/zinc/52/00/41/953520041.db2.gz	QUQALCLBCRZMGC-SUMWQHHRSA-N	-1	0	379.369	0.460	20	5		GCBDRM
CC(C)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000594465989	953763400	/nfs/dbraw/zinc/76/34/00/953763400.db2.gz	DABARZKHKNBDKK-CYBMUJFWSA-N	-1	0	387.414	0.688	20	5		GCBDRM
O=C([O-])C1CCN(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1	ZINC001594935613	954857355	/nfs/dbraw/zinc/85/73/55/954857355.db2.gz	SUUKNXJHKVJOKL-UHFFFAOYSA-N	-1	0	399.429	0.153	20	5		GCBDRM
Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCS(=O)(=O)CC(=O)[O-]	ZINC001594523599	955479481	/nfs/dbraw/zinc/47/94/81/955479481.db2.gz	OFYZJPPHBUUDCE-UHFFFAOYSA-N	-1	0	387.395	0.433	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1	ZINC001593973833	956645617	/nfs/dbraw/zinc/64/56/17/956645617.db2.gz	LUTPJOVCVGSNJT-QGZVFWFLSA-N	-1	0	377.353	0.878	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCO1	ZINC001593983405	956730859	/nfs/dbraw/zinc/73/08/59/956730859.db2.gz	HPMXEASQIZMRBP-HNNXBMFYSA-N	-1	0	388.398	0.702	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001326936258	957334086	/nfs/dbraw/zinc/33/40/86/957334086.db2.gz	AMPLVZSQHQTMRC-LBPRGKRZSA-N	-1	0	393.400	0.414	20	5		GCBDRM
O=C([O-])[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCCO1	ZINC001574824710	957925172	/nfs/dbraw/zinc/92/51/72/957925172.db2.gz	CXSNXAZCNPXJHY-OAHLLOKOSA-N	-1	0	383.382	0.575	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccc3c(c1[N+](=O)[O-])OCCCO3)C2	ZINC001574825418	957930044	/nfs/dbraw/zinc/93/00/44/957930044.db2.gz	UEHFLJHJMOIUNT-BTDLBPIBSA-N	-1	0	378.337	0.929	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C2	ZINC001574825407	957931075	/nfs/dbraw/zinc/93/10/75/957931075.db2.gz	UAANRYPRONWPFV-SGTLLEGYSA-N	-1	0	391.380	0.605	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1[N+](=O)[O-]	ZINC001594352356	958375967	/nfs/dbraw/zinc/37/59/67/958375967.db2.gz	SBHCTVQKBASOCV-GFCCVEGCSA-N	-1	0	399.425	0.956	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001594112707	958533005	/nfs/dbraw/zinc/53/30/05/958533005.db2.gz	KNHCFFLRFNIKPI-LBPRGKRZSA-N	-1	0	381.366	0.973	20	5		GCBDRM
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001594469504	959540828	/nfs/dbraw/zinc/54/08/28/959540828.db2.gz	HLHPDSNQMGKZOS-ONGXEEELSA-N	-1	0	393.322	0.696	20	5		GCBDRM
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594469503	959541901	/nfs/dbraw/zinc/54/19/01/959541901.db2.gz	HLHPDSNQMGKZOS-MWLCHTKSSA-N	-1	0	393.322	0.696	20	5		GCBDRM
Cc1nn(CCC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c(C)c1[N+](=O)[O-]	ZINC001574434693	961394990	/nfs/dbraw/zinc/39/49/90/961394990.db2.gz	PLCLZUMRJQFMAC-LBPRGKRZSA-N	-1	0	381.389	0.380	20	5		GCBDRM
C[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1	ZINC000262150586	961502538	/nfs/dbraw/zinc/50/25/38/961502538.db2.gz	LOFCMSMRBSSIHD-KCJUWKMLSA-N	-1	0	385.760	0.679	20	5		GCBDRM
O=C([O-])[C@]12CN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C[C@H]1COCC2	ZINC000262443006	961723824	/nfs/dbraw/zinc/72/38/24/961723824.db2.gz	TULXMJUDXQREKQ-YVEFUNNKSA-N	-1	0	387.352	0.739	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)NC2(CC(=O)[O-])CCOCC2)ccc1[N+](=O)[O-]	ZINC000262610728	961787340	/nfs/dbraw/zinc/78/73/40/961787340.db2.gz	BEQKYLTZIMHPOS-UHFFFAOYSA-N	-1	0	379.369	0.773	20	5		GCBDRM
C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@@H](C(=O)[O-])O1	ZINC000262853142	961919984	/nfs/dbraw/zinc/91/99/84/961919984.db2.gz	CDISUZFVMBFWGL-RISCZKNCSA-N	-1	0	379.369	0.746	20	5		GCBDRM
CNc1ccc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc1[N+](=O)[O-]	ZINC001348483605	962444819	/nfs/dbraw/zinc/44/48/19/962444819.db2.gz	ZEDPGMFLBBPHKY-KRWDZBQOSA-N	-1	0	378.385	0.638	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1	ZINC001574146800	962624040	/nfs/dbraw/zinc/62/40/40/962624040.db2.gz	OVLJQFVVLWIHPS-OAHLLOKOSA-N	-1	0	387.776	0.989	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC000593922327	968495200	/nfs/dbraw/zinc/49/52/00/968495200.db2.gz	PYRMSFQLWGGUQN-NSHDSACASA-N	-1	0	379.373	0.106	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)ccc1[N+](=O)[O-]	ZINC001605219570	972967349	/nfs/dbraw/zinc/96/73/49/972967349.db2.gz	HNSFRCIXONBYEG-LBPRGKRZSA-N	-1	0	385.398	0.647	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC001606053682	973160197	/nfs/dbraw/zinc/16/01/97/973160197.db2.gz	HNPKCPAEXSSNPB-NSHDSACASA-N	-1	0	376.774	0.501	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCO1	ZINC001604556778	973587686	/nfs/dbraw/zinc/58/76/86/973587686.db2.gz	GTSAWTVPSRVRGO-QGZVFWFLSA-N	-1	0	390.352	0.927	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])c1	ZINC000515165968	974296665	/nfs/dbraw/zinc/29/66/65/974296665.db2.gz	REUHDCCBGDZALM-VIFPVBQESA-N	-1	0	381.370	0.739	20	5		GCBDRM
O=C([O-])C1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1	ZINC000516645569	974307514	/nfs/dbraw/zinc/30/75/14/974307514.db2.gz	GZRFDLHVQIJGKF-UHFFFAOYSA-N	-1	0	381.366	0.743	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1	ZINC000565949240	974591600	/nfs/dbraw/zinc/59/16/00/974591600.db2.gz	MZIKUMABVNVCLI-ZUZCIYMTSA-N	-1	0	386.382	0.909	20	5		GCBDRM
C[C@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000566482019	974612446	/nfs/dbraw/zinc/61/24/46/974612446.db2.gz	CQGKPGWNXADDTK-LBPRGKRZSA-N	-1	0	399.425	0.929	20	5		GCBDRM
O=C([O-])c1csc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)c1	ZINC000568517074	974672448	/nfs/dbraw/zinc/67/24/48/974672448.db2.gz	YGNMLMQECNUULG-UHFFFAOYSA-N	-1	0	399.410	0.655	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000591652761	974971941	/nfs/dbraw/zinc/97/19/41/974971941.db2.gz	QBOMHALWPHIDHY-QGZVFWFLSA-N	-1	0	379.369	0.725	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000591459249	974971954	/nfs/dbraw/zinc/97/19/54/974971954.db2.gz	UGYCWEOVTOLXIQ-AWEZNQCLSA-N	-1	0	379.369	0.346	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC2(CCOCC2)C1	ZINC000592141912	974973623	/nfs/dbraw/zinc/97/36/23/974973623.db2.gz	ULBRYQRJZKNFNV-UHFFFAOYSA-N	-1	0	386.382	0.863	20	5		GCBDRM
Cn1cc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000780311057	978786146	/nfs/dbraw/zinc/78/61/46/978786146.db2.gz	BPQIMQRGXCZUJL-UHFFFAOYSA-N	-1	0	397.351	0.982	20	5		GCBDRM
O=C([O-])c1cn([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)nn1	ZINC000818319896	978917106	/nfs/dbraw/zinc/91/71/06/978917106.db2.gz	MHBUMFDVYBPBCE-SECBINFHSA-N	-1	0	389.324	0.743	20	5		GCBDRM
C[C@@](NC(=O)CCN1C(=O)CCNC1=S)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593018924	980266102	/nfs/dbraw/zinc/26/61/02/980266102.db2.gz	BGSCVKPWYZJHHY-INIZCTEOSA-N	-1	0	394.409	0.508	20	5		GCBDRM
CCNC(=O)CN1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1	ZINC001596461843	984173219	/nfs/dbraw/zinc/17/32/19/984173219.db2.gz	LUGHOOLVCTVKNG-UHFFFAOYSA-N	-1	0	380.401	0.312	20	5		GCBDRM
CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1	ZINC001589079268	985237469	/nfs/dbraw/zinc/23/74/69/985237469.db2.gz	AULWIXHEZHZUJS-UHFFFAOYSA-N	-1	0	378.341	0.231	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)NCC3(C(=O)[O-])CC3)cc2[N+](=O)[O-])CC1	ZINC001589085586	985258121	/nfs/dbraw/zinc/25/81/21/985258121.db2.gz	YDAYMKKFUXJWTG-UHFFFAOYSA-N	-1	0	390.396	0.858	20	5		GCBDRM
CC(=O)NCC(=O)N1CCCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1	ZINC001589122088	985397086	/nfs/dbraw/zinc/39/70/86/985397086.db2.gz	DWJUIFBSNDOQJQ-UHFFFAOYSA-N	-1	0	379.373	0.171	20	5		GCBDRM
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1CCC(=O)[O-]	ZINC001594489797	985594975	/nfs/dbraw/zinc/59/49/75/985594975.db2.gz	SLOWYOSILSXIQU-LLVKDONJSA-N	-1	0	379.369	0.987	20	5		GCBDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC001596873240	985717699	/nfs/dbraw/zinc/71/76/99/985717699.db2.gz	XNGKBEOSPFVGSF-NSHDSACASA-N	-1	0	379.325	0.139	20	5		GCBDRM
C[C@@H]1CN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@@H](C)CO1	ZINC001594532266	986130606	/nfs/dbraw/zinc/13/06/06/986130606.db2.gz	VRLBJGZGMAQUQV-WDEREUQCSA-N	-1	0	387.414	0.681	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H](C)CN1CCO	ZINC001594557257	986303712	/nfs/dbraw/zinc/30/37/12/986303712.db2.gz	WULGCPMAXONZFN-MNOVXSKESA-N	-1	0	387.414	0.369	20	5		GCBDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC001589349766	986304364	/nfs/dbraw/zinc/30/43/64/986304364.db2.gz	KKCADLYMARHRSR-CYBMUJFWSA-N	-1	0	391.428	0.824	20	5		GCBDRM
C[C@H]1OCC[C@@]12CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])CCO2	ZINC001594642383	986804760	/nfs/dbraw/zinc/80/47/60/986804760.db2.gz	JYZOSOCULJDAOV-MEBBXXQBSA-N	-1	0	386.382	0.862	20	5		GCBDRM
C[C@@H]1OCC[C@]12CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])CCO2	ZINC001594642382	986804960	/nfs/dbraw/zinc/80/49/60/986804960.db2.gz	JYZOSOCULJDAOV-BONVTDFDSA-N	-1	0	386.382	0.862	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1[N+](=O)[O-]	ZINC001597557834	988299377	/nfs/dbraw/zinc/29/93/77/988299377.db2.gz	VPIWCTAMPWKYDH-UHFFFAOYSA-N	-1	0	381.370	0.693	20	5		GCBDRM
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)c1	ZINC001599823009	988548025	/nfs/dbraw/zinc/54/80/25/988548025.db2.gz	RXLGMPLTZKPDOT-SMDDNHRTSA-N	-1	0	388.423	0.934	20	5		GCBDRM
CC(C)(CS(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001590798307	990620841	/nfs/dbraw/zinc/62/08/41/990620841.db2.gz	RBQZXVILCLFZHI-UHFFFAOYSA-N	-1	0	399.425	0.793	20	5		GCBDRM
C[NH+](C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001598246049	991000097	/nfs/dbraw/zinc/00/00/97/991000097.db2.gz	CHNHCCYHFCNRFC-UHFFFAOYSA-N	-1	0	383.386	0.852	20	5		GCBDRM
CN(C)S(=O)(=O)N(C)CC(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001598264889	991106030	/nfs/dbraw/zinc/10/60/30/991106030.db2.gz	CLMYDTZHNAKGLN-UHFFFAOYSA-N	-1	0	375.359	0.074	20	5		GCBDRM
CN(C)c1ncc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cn1	ZINC001598353903	991461689	/nfs/dbraw/zinc/46/16/89/991461689.db2.gz	MLHPXKFNHKEROH-UHFFFAOYSA-N	-1	0	395.397	0.970	20	5		GCBDRM
CN(CCC(=O)[O-])S(=O)(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC001598470294	992015401	/nfs/dbraw/zinc/01/54/01/992015401.db2.gz	DWUFHFLRLOTYPA-UHFFFAOYSA-N	-1	0	386.430	0.364	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC001598565144	993134698	/nfs/dbraw/zinc/13/46/98/993134698.db2.gz	BOMTXCGINVZJGM-SECBINFHSA-N	-1	0	377.762	0.164	20	5		GCBDRM
C[C@](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593138776	993910264	/nfs/dbraw/zinc/91/02/64/993910264.db2.gz	KWHZCXUYDMFCCS-QQCQHEPOSA-N	-1	0	390.348	0.731	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593169809	994022902	/nfs/dbraw/zinc/02/29/02/994022902.db2.gz	GCRHLFJXYWWPGP-GFCCVEGCSA-N	-1	0	394.428	0.691	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NCC(=O)NCC(F)(F)F)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001593170839	994028469	/nfs/dbraw/zinc/02/84/69/994028469.db2.gz	PYWCHVUXFIPUFF-SSDOTTSWSA-N	-1	0	392.290	0.888	20	5		GCBDRM
C[C@](O)(Cn1ccccc1=O)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001593426477	995230733	/nfs/dbraw/zinc/23/07/33/995230733.db2.gz	BQNWVOCFAJVRNU-KRWDZBQOSA-N	-1	0	376.321	0.949	20	5		GCBDRM
C[C@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@@H](C)C1	ZINC001593464240	995396371	/nfs/dbraw/zinc/39/63/71/995396371.db2.gz	ZLBWTSJLBFTNQY-QWRGUYRKSA-N	-1	0	387.414	0.369	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC001598748887	995625606	/nfs/dbraw/zinc/62/56/06/995625606.db2.gz	CXMPDQWPFSURLM-KYOSRNDESA-N	-1	0	382.369	0.673	20	5		GCBDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC001598751936	995666121	/nfs/dbraw/zinc/66/61/21/995666121.db2.gz	RGIRXPWBJSPUQD-FZMZJTMJSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC001598752427	995672744	/nfs/dbraw/zinc/67/27/44/995672744.db2.gz	RMQAGBSKDNCXDZ-QMTHXVAHSA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC001598769648	995871856	/nfs/dbraw/zinc/87/18/56/995871856.db2.gz	CBMKAAJGNMTFLB-DGCLKSJQSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1	ZINC001598773792	995908943	/nfs/dbraw/zinc/90/89/43/995908943.db2.gz	ITFQNYGBHGIXMW-NWDGAFQWSA-N	-1	0	382.373	0.663	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1	ZINC001598776170	995931850	/nfs/dbraw/zinc/93/18/50/995931850.db2.gz	VXGATHJENSFTRA-PSASIEDQSA-N	-1	0	380.309	0.802	20	5		GCBDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC001598785059	996021821	/nfs/dbraw/zinc/02/18/21/996021821.db2.gz	MMZRMEODPOZKLY-WCQYABFASA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC001598793348	996092490	/nfs/dbraw/zinc/09/24/90/996092490.db2.gz	PHSNQIIHRSMNHQ-BXUZGUMPSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC001598799868	996130624	/nfs/dbraw/zinc/13/06/24/996130624.db2.gz	PSVQQXUIQMYMBL-GXFFZTMASA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC001598799870	996130782	/nfs/dbraw/zinc/13/07/82/996130782.db2.gz	PSVQQXUIQMYMBL-MFKMUULPSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C(=O)[O-]	ZINC001598808589	996210775	/nfs/dbraw/zinc/21/07/75/996210775.db2.gz	NHBPYNHJQCRHHJ-VXGBXAGGSA-N	-1	0	381.341	0.619	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C(=O)[O-]	ZINC001598824919	996371499	/nfs/dbraw/zinc/37/14/99/996371499.db2.gz	ITPHKVYODNUCAE-WDEREUQCSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001598881457	996815833	/nfs/dbraw/zinc/81/58/33/996815833.db2.gz	DILDOQJJGTUOJZ-SNVBAGLBSA-N	-1	0	380.357	0.686	20	5		GCBDRM
CO[C@@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1	ZINC001599120454	997729292	/nfs/dbraw/zinc/72/92/92/997729292.db2.gz	AHQRTAAVGAAWSY-ZYHUDNBSSA-N	-1	0	386.382	0.703	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1[N+](=O)[O-]	ZINC001599335666	997831663	/nfs/dbraw/zinc/83/16/63/997831663.db2.gz	MHCFFWFKWMEIGH-ZDUSSCGKSA-N	-1	0	378.334	0.655	20	5		GCBDRM
COCCN1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC001599241172	998045611	/nfs/dbraw/zinc/04/56/11/998045611.db2.gz	YTDMAHDVGXPIIK-UHFFFAOYSA-N	-1	0	394.384	0.094	20	5		GCBDRM
COC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-]	ZINC001599167526	998564370	/nfs/dbraw/zinc/56/43/70/998564370.db2.gz	KSHUEUBOUGVOPL-GXTWGEPZSA-N	-1	0	379.369	0.724	20	5		GCBDRM
COC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-]	ZINC001599167528	998564750	/nfs/dbraw/zinc/56/47/50/998564750.db2.gz	KSHUEUBOUGVOPL-OCCSQVGLSA-N	-1	0	379.369	0.724	20	5		GCBDRM
C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001594177101	998685015	/nfs/dbraw/zinc/68/50/15/998685015.db2.gz	ROOYUUGIASQMBM-OPRDCNLKSA-N	-1	0	385.398	0.921	20	5		GCBDRM
COC(CN(CCC(=O)[O-])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)OC	ZINC001599047339	999159520	/nfs/dbraw/zinc/15/95/20/999159520.db2.gz	BSQSOLWIOJCRBZ-UHFFFAOYSA-N	-1	0	381.385	0.880	20	5		GCBDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC001599066864	999304717	/nfs/dbraw/zinc/30/47/17/999304717.db2.gz	ZOTFSMODOWVGFO-QFYYESIMSA-N	-1	0	381.341	0.495	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000262402599	530135118	/nfs/dbraw/zinc/13/51/18/530135118.db2.gz	KFNHESGKESAQQO-QMMMGPOBSA-N	-1	0	377.350	0.334	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000598583880	530138097	/nfs/dbraw/zinc/13/80/97/530138097.db2.gz	GFYRLIBLSHRSKO-WYVULQQZSA-N	-1	0	376.412	0.418	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)(F)F	ZINC000286560394	530189023	/nfs/dbraw/zinc/18/90/23/530189023.db2.gz	VDUXYIZETORUHB-SNVBAGLBSA-N	-1	0	385.320	0.853	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(CS(C)(=O)=O)c2)n1	ZINC000599229829	530161324	/nfs/dbraw/zinc/16/13/24/530161324.db2.gz	SSDSHXAZOUXFDC-UHFFFAOYSA-N	-1	0	388.427	0.351	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCS3(=O)=O)n1	ZINC000599255903	530162112	/nfs/dbraw/zinc/16/21/12/530162112.db2.gz	DWQIEPWCLXWMCZ-UHFFFAOYSA-N	-1	0	386.411	0.137	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000477141516	530217032	/nfs/dbraw/zinc/21/70/32/530217032.db2.gz	GGIHNZHOYMNOCG-GHMZBOCLSA-N	-1	0	395.434	0.873	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000574277829	530291442	/nfs/dbraw/zinc/29/14/42/530291442.db2.gz	QUYSAJLDKOQESC-LBPRGKRZSA-N	-1	0	392.411	0.030	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000580266993	530323596	/nfs/dbraw/zinc/32/35/96/530323596.db2.gz	JUKUKVWYJWMRAC-MYODQAERSA-N	-1	0	376.412	0.418	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000580771287	530324436	/nfs/dbraw/zinc/32/44/36/530324436.db2.gz	CHZRKZRHNWCUKR-VIFPVBQESA-N	-1	0	378.407	0.748	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)cc1[N+](=O)[O-]	ZINC000581873301	530326720	/nfs/dbraw/zinc/32/67/20/530326720.db2.gz	LVIDCUXCVVIHGB-MRVPVSSYSA-N	-1	0	376.343	0.149	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000582653244	530329674	/nfs/dbraw/zinc/32/96/74/530329674.db2.gz	GKNBJNFJOFKMDE-BGJPBQGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000582842959	530331845	/nfs/dbraw/zinc/33/18/45/530331845.db2.gz	QHBSGJIBKVEEHP-DNKNOMGSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
CCOC(=O)COCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000563231293	530348837	/nfs/dbraw/zinc/34/88/37/530348837.db2.gz	FYVZLBPUAMBJHS-UHFFFAOYSA-N	-1	0	376.343	0.151	20	5		GCBDRM
C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000563718649	530349857	/nfs/dbraw/zinc/34/98/57/530349857.db2.gz	WVNXIDPQLCUWTC-HKPSDFMSSA-N	-1	0	376.412	0.823	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000564457688	530350764	/nfs/dbraw/zinc/35/07/64/530350764.db2.gz	IYKHLOIGWKSBGI-SPSFWMDKSA-N	-1	0	376.412	0.363	20	5		GCBDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000564920744	530351092	/nfs/dbraw/zinc/35/10/92/530351092.db2.gz	YKKJRYJSVFGOSG-RKDXNWHRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1(S(C)(=O)=O)CC1	ZINC000565720365	530352630	/nfs/dbraw/zinc/35/26/30/530352630.db2.gz	PMSUOWKOXPRFGY-MRVPVSSYSA-N	-1	0	392.411	0.537	20	5		GCBDRM
CS(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000565661833	530352635	/nfs/dbraw/zinc/35/26/35/530352635.db2.gz	REDSUHHDNNSUKY-VIFPVBQESA-N	-1	0	392.411	0.348	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2nc(-c3ccncc3)ns2)c([N+](=O)[O-])n1	ZINC000541289608	530371505	/nfs/dbraw/zinc/37/15/05/530371505.db2.gz	FKOSADIRRKONMW-UHFFFAOYSA-N	-1	0	381.399	0.947	20	5		GCBDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000566317617	530374233	/nfs/dbraw/zinc/37/42/33/530374233.db2.gz	WLHXFTRLJSYNID-IUCAKERBSA-N	-1	0	394.427	0.735	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000277298964	530415608	/nfs/dbraw/zinc/41/56/08/530415608.db2.gz	ARRZQTVAJJUPAM-UHFFFAOYSA-N	-1	0	395.846	0.922	20	5		GCBDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000567796831	530471244	/nfs/dbraw/zinc/47/12/44/530471244.db2.gz	IAYFWRTXRZPOGF-IUCAKERBSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=C([O-])[C@]1(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCSC1	ZINC000567809459	530473195	/nfs/dbraw/zinc/47/31/95/530473195.db2.gz	UXJXVXFRRJBOSR-ZDUSSCGKSA-N	-1	0	390.395	0.605	20	5		GCBDRM
C[S@](=O)C1(C(=O)[O-])CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1	ZINC000567985170	530477254	/nfs/dbraw/zinc/47/72/54/530477254.db2.gz	OHJVIROKNJOZDT-DEOSSOPVSA-N	-1	0	391.427	0.044	20	5		GCBDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000568889001	530495007	/nfs/dbraw/zinc/49/50/07/530495007.db2.gz	LMPZAANJBHAUOH-BDAKNGLRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000571112139	530507082	/nfs/dbraw/zinc/50/70/82/530507082.db2.gz	ODWYHPJXWIVKQG-SNVBAGLBSA-N	-1	0	386.407	0.927	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(F)(F)F	ZINC000436844723	530524131	/nfs/dbraw/zinc/52/41/31/530524131.db2.gz	AEECQZRYVSWISS-SECBINFHSA-N	-1	0	385.320	0.853	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000485300763	530591084	/nfs/dbraw/zinc/59/10/84/530591084.db2.gz	FPRXIGZERQTUMH-SSDOTTSWSA-N	-1	0	379.416	0.565	20	5		GCBDRM
CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000519657108	530666640	/nfs/dbraw/zinc/66/66/40/530666640.db2.gz	SDVJFFWMCLHLGJ-SECBINFHSA-N	-1	0	392.411	0.348	20	5		GCBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC000591562783	530718105	/nfs/dbraw/zinc/71/81/05/530718105.db2.gz	XZZKKTFFRQYCPP-SKDRFNHKSA-N	-1	0	388.423	0.786	20	5		GCBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC000591562782	530718396	/nfs/dbraw/zinc/71/83/96/530718396.db2.gz	XZZKKTFFRQYCPP-JOYOIKCWSA-N	-1	0	388.423	0.786	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000591563514	530718428	/nfs/dbraw/zinc/71/84/28/530718428.db2.gz	WUKSPXHBUXGCAV-NSHDSACASA-N	-1	0	391.789	0.370	20	5		GCBDRM
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000592130767	530756847	/nfs/dbraw/zinc/75/68/47/530756847.db2.gz	NFDQTWHEQWRCCV-VIFPVBQESA-N	-1	0	378.384	0.101	20	5		GCBDRM
CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000592140750	530757171	/nfs/dbraw/zinc/75/71/71/530757171.db2.gz	RRDXEEQZEFOCNR-SECBINFHSA-N	-1	0	394.427	0.737	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1[N+](=O)[O-]	ZINC000274928110	530746472	/nfs/dbraw/zinc/74/64/72/530746472.db2.gz	OHJGMCQIQDTCBC-QUBYGPBYSA-N	-1	0	397.203	0.778	20	5		GCBDRM
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c(Br)c1	ZINC000269456937	530746639	/nfs/dbraw/zinc/74/66/39/530746639.db2.gz	FWQKCLGIQSQBCK-ZETCQYMHSA-N	-1	0	399.244	0.823	20	5		GCBDRM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC2)ccc1[N+](=O)[O-]	ZINC000349513537	530806276	/nfs/dbraw/zinc/80/62/76/530806276.db2.gz	BOPPTLYBPJXMTJ-UHFFFAOYSA-N	-1	0	392.459	0.854	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1C	ZINC000275140156	530874391	/nfs/dbraw/zinc/87/43/91/530874391.db2.gz	QDQGLYZKXRWEJU-NSHDSACASA-N	-1	0	392.411	0.084	20	5		GCBDRM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1C	ZINC000600641902	530874497	/nfs/dbraw/zinc/87/44/97/530874497.db2.gz	SRAAPAVUFKWMQA-UHFFFAOYSA-N	-1	0	389.415	0.346	20	5		GCBDRM
COCC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000275129118	530863621	/nfs/dbraw/zinc/86/36/21/530863621.db2.gz	VCLGKAGLXRGUOS-QMMMGPOBSA-N	-1	0	376.343	0.134	20	5		GCBDRM
NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000274973868	530867903	/nfs/dbraw/zinc/86/79/03/530867903.db2.gz	CPMPQGDOPAPQON-XCBNKYQSSA-N	-1	0	391.789	0.587	20	5		GCBDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000576759968	530870505	/nfs/dbraw/zinc/87/05/05/530870505.db2.gz	NBWZIAULXZDGSE-RKDXNWHRSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=C1NCCCN1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000276612939	530911519	/nfs/dbraw/zinc/91/15/19/530911519.db2.gz	DFLOZAHODJTJOQ-UHFFFAOYSA-N	-1	0	379.192	0.966	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2nnc(CCC(=O)OC)s2)c([N+](=O)[O-])n1	ZINC000443420076	530905787	/nfs/dbraw/zinc/90/57/87/530905787.db2.gz	SLVHZNBWCBNWGR-UHFFFAOYSA-N	-1	0	390.403	0.569	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCSCC(=O)[O-]	ZINC000274933633	530906423	/nfs/dbraw/zinc/90/64/23/530906423.db2.gz	CWSJPTWRXQXLQH-UHFFFAOYSA-N	-1	0	378.384	0.478	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000275192330	530907304	/nfs/dbraw/zinc/90/73/04/530907304.db2.gz	XXADGKNSVOVOAG-SNVBAGLBSA-N	-1	0	392.411	0.166	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000275331942	530907885	/nfs/dbraw/zinc/90/78/85/530907885.db2.gz	UFYNPRLGQAHXAR-VIFPVBQESA-N	-1	0	378.334	0.727	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCSC)CC(=O)[O-]	ZINC000594670978	530876049	/nfs/dbraw/zinc/87/60/49/530876049.db2.gz	QFMWRXLJPLIAGX-UHFFFAOYSA-N	-1	0	392.411	0.820	20	5		GCBDRM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(F)(F)F	ZINC000594699877	530877262	/nfs/dbraw/zinc/87/72/62/530877262.db2.gz	MREYRLPIDGSYFF-MRVPVSSYSA-N	-1	0	388.324	0.974	20	5		GCBDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000424365011	530889457	/nfs/dbraw/zinc/88/94/57/530889457.db2.gz	FTLIGBYRFHWPTA-SNVBAGLBSA-N	-1	0	398.802	0.121	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1(=O)=O	ZINC000424364867	530889536	/nfs/dbraw/zinc/88/95/36/530889536.db2.gz	FJVAZDHJWOQEKI-JTQLQIEISA-N	-1	0	398.802	0.121	20	5		GCBDRM
C[C@@](NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000600665526	530931447	/nfs/dbraw/zinc/93/14/47/530931447.db2.gz	HJPLCKLPNHNTHD-ZDUSSCGKSA-N	-1	0	394.427	0.249	20	5		GCBDRM
COC(=O)C[C@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277299107	530912961	/nfs/dbraw/zinc/91/29/61/530912961.db2.gz	RSFQMWVTIGCRJA-QMMMGPOBSA-N	-1	0	380.306	0.037	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(C)c1[N+](=O)[O-]	ZINC000277271750	530913127	/nfs/dbraw/zinc/91/31/27/530913127.db2.gz	ONYJOSXCUQKHPY-XCBNKYQSSA-N	-1	0	377.331	0.232	20	5		GCBDRM
COC(=O)Nc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000277192106	530913284	/nfs/dbraw/zinc/91/32/84/530913284.db2.gz	DJLLQSFSVVTBTQ-SNVBAGLBSA-N	-1	0	391.383	0.921	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000520589839	530916311	/nfs/dbraw/zinc/91/63/11/530916311.db2.gz	JLRBCOSIVYNRGG-VIFPVBQESA-N	-1	0	392.411	0.396	20	5		GCBDRM
NS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000392196585	530922108	/nfs/dbraw/zinc/92/21/08/530922108.db2.gz	UDXGGGQIMKGPTF-UHFFFAOYSA-N	-1	0	391.358	0.888	20	5		GCBDRM
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575805293	530925748	/nfs/dbraw/zinc/92/57/48/530925748.db2.gz	JRAMMKZUICUGDS-QMMMGPOBSA-N	-1	0	380.400	0.347	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000575800385	530925799	/nfs/dbraw/zinc/92/57/99/530925799.db2.gz	PDLJBAUOOHNZPG-QMMMGPOBSA-N	-1	0	394.427	0.703	20	5		GCBDRM
CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCn1cc([N+](=O)[O-])cn1	ZINC000296448202	530962173	/nfs/dbraw/zinc/96/21/73/530962173.db2.gz	WJEWCPFTIIYSLX-SECBINFHSA-N	-1	0	388.324	0.595	20	5		GCBDRM
O=C([O-])c1cn(CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)nn1	ZINC000556888708	530938512	/nfs/dbraw/zinc/93/85/12/530938512.db2.gz	QSQKJBKRMARHIA-UHFFFAOYSA-N	-1	0	375.388	0.705	20	5		GCBDRM
Cn1nnc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1	ZINC000486846229	530952842	/nfs/dbraw/zinc/95/28/42/530952842.db2.gz	OMOBYHCGEGMVBL-UHFFFAOYSA-N	-1	0	377.180	0.359	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000576210917	530995190	/nfs/dbraw/zinc/99/51/90/530995190.db2.gz	GFXIUNIGEIUZQL-WRWORJQWSA-N	-1	0	390.395	0.918	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000262450733	530997649	/nfs/dbraw/zinc/99/76/49/530997649.db2.gz	QXAGWXQDKZAEHN-QMMMGPOBSA-N	-1	0	393.805	0.848	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc1C	ZINC000547930587	531020726	/nfs/dbraw/zinc/02/07/26/531020726.db2.gz	TUZZGSARVPMEDC-BSNNYGBQSA-N	-1	0	376.412	0.418	20	5		GCBDRM
NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000548250659	531082847	/nfs/dbraw/zinc/08/28/47/531082847.db2.gz	SCYHVDLTQSJSMJ-XCBNKYQSSA-N	-1	0	391.789	0.587	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000548207492	531087471	/nfs/dbraw/zinc/08/74/71/531087471.db2.gz	KSHYMTNUUDETSN-MRVPVSSYSA-N	-1	0	382.297	0.768	20	5		GCBDRM
O=C([O-])c1cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)cc([N+](=O)[O-])c1	ZINC000548241718	531088690	/nfs/dbraw/zinc/08/86/90/531088690.db2.gz	UIEUWMHPORGQRW-UHFFFAOYSA-N	-1	0	378.384	0.612	20	5		GCBDRM
NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC000737761881	599040400	/nfs/dbraw/zinc/04/04/00/599040400.db2.gz	UYUVEVLLKWLXJM-UHFFFAOYSA-N	-1	0	389.353	0.675	20	5		GCBDRM
Cc1c(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000610891892	597099620	/nfs/dbraw/zinc/09/96/20/597099620.db2.gz	JVILZDMBMUOLNS-JTQLQIEISA-N	-1	0	385.398	0.878	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)NCCCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000262767778	597277791	/nfs/dbraw/zinc/27/77/91/597277791.db2.gz	SXXNBJJQRXXWLQ-UHFFFAOYSA-N	-1	0	378.385	0.858	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc([N+](=O)[O-])c1	ZINC000820894239	597361147	/nfs/dbraw/zinc/36/11/47/597361147.db2.gz	IWBNRABOQQPTNT-UHFFFAOYSA-N	-1	0	384.326	0.031	20	5		GCBDRM
COc1cc(CCNC(=O)N2CCO[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC	ZINC000591269327	597414151	/nfs/dbraw/zinc/41/41/51/597414151.db2.gz	HARLTTNZOOMAFM-AWEZNQCLSA-N	-1	0	383.357	0.650	20	5		GCBDRM
CC(=O)N1CCN(c2ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000262910769	597458224	/nfs/dbraw/zinc/45/82/24/597458224.db2.gz	SBYUUUPSSACYDP-LLVKDONJSA-N	-1	0	378.385	0.808	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)C(=O)[O-]	ZINC000262232206	597686652	/nfs/dbraw/zinc/68/66/52/597686652.db2.gz	NFXQKKSRBJHKFP-NSHDSACASA-N	-1	0	389.368	0.832	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H](C)C(=O)[O-]	ZINC000272628620	597686707	/nfs/dbraw/zinc/68/67/07/597686707.db2.gz	LHJPFYWNNADSQV-SNVBAGLBSA-N	-1	0	390.356	0.227	20	5		GCBDRM
CC(=O)NCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H](C)C(=O)[O-]	ZINC000781136919	597686780	/nfs/dbraw/zinc/68/67/80/597686780.db2.gz	RHXCQDGBKQINPT-JTQLQIEISA-N	-1	0	377.357	0.382	20	5		GCBDRM
CC(=O)NCCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C)C(=O)[O-]	ZINC000272628642	597688832	/nfs/dbraw/zinc/68/88/32/597688832.db2.gz	LHXWCOBTDFTGDG-SECBINFHSA-N	-1	0	390.352	0.900	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000262352351	597699329	/nfs/dbraw/zinc/69/93/29/597699329.db2.gz	BHSHMWUHEAVOMQ-SNVBAGLBSA-N	-1	0	387.414	0.757	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc([N+](=O)[O-])[nH]1	ZINC000738138159	598417235	/nfs/dbraw/zinc/41/72/35/598417235.db2.gz	DUVMAUZOLVDWDD-UHFFFAOYSA-N	-1	0	397.760	0.875	20	5		GCBDRM
Cc1nn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)c(-c2nnn[n-]2)c1C	ZINC000737520332	598473408	/nfs/dbraw/zinc/47/34/08/598473408.db2.gz	DRLBAEUHDAHZAN-UHFFFAOYSA-N	-1	0	385.340	0.863	20	5		GCBDRM
Nc1nc(N2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)ncc1[N+](=O)[O-]	ZINC000737775990	598551892	/nfs/dbraw/zinc/55/18/92/598551892.db2.gz	FOVLVJZJCFTCRM-UHFFFAOYSA-N	-1	0	399.375	0.339	20	5		GCBDRM
Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C	ZINC000737264893	599305892	/nfs/dbraw/zinc/30/58/92/599305892.db2.gz	QUYFMUWTSRJHFR-UHFFFAOYSA-N	-1	0	393.747	0.926	20	5		GCBDRM
COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000737605256	599751188	/nfs/dbraw/zinc/75/11/88/599751188.db2.gz	WBNIZCHYSDHEKN-VIFPVBQESA-N	-1	0	397.315	0.173	20	5		GCBDRM
C[C@H](CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000262564267	599773754	/nfs/dbraw/zinc/77/37/54/599773754.db2.gz	ZPRAVZGOXURDGX-RISCZKNCSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CCc1[nH]nc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000737247288	599799374	/nfs/dbraw/zinc/79/93/74/599799374.db2.gz	CCTNNPFQMWGIBR-UHFFFAOYSA-N	-1	0	375.341	0.876	20	5		GCBDRM
CCc1nnc2n1C[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000737288900	599957715	/nfs/dbraw/zinc/95/77/15/599957715.db2.gz	ZDOUVBTUTWNTSB-NSHDSACASA-N	-1	0	388.384	0.990	20	5		GCBDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1	ZINC000738550998	599984476	/nfs/dbraw/zinc/98/44/76/599984476.db2.gz	FQVYWJYJAGNZNM-JTQLQIEISA-N	-1	0	395.187	0.831	20	5		GCBDRM
O=C([O-])Cn1ncc2c1ncn(CC(=O)Nc1cc([N+](=O)[O-])ccc1F)c2=O	ZINC000739918784	600032470	/nfs/dbraw/zinc/03/24/70/600032470.db2.gz	CABSJJKLXOSDKJ-UHFFFAOYSA-N	-1	0	390.287	0.364	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000485642061	600059492	/nfs/dbraw/zinc/05/94/92/600059492.db2.gz	IIMDKPFGCBQUEI-QWHCGFSZSA-N	-1	0	383.382	0.148	20	5		GCBDRM
CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000592991326	600062418	/nfs/dbraw/zinc/06/24/18/600062418.db2.gz	LMKIWVWHNUGPQR-VXGBXAGGSA-N	-1	0	397.409	0.368	20	5		GCBDRM
CS(=O)(=O)CCN1CCC(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000738126794	600073350	/nfs/dbraw/zinc/07/33/50/600073350.db2.gz	KZPTZQRPBXBUSA-UHFFFAOYSA-N	-1	0	399.425	0.532	20	5		GCBDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000262599151	600102752	/nfs/dbraw/zinc/10/27/52/600102752.db2.gz	JLLOUXXMTUJXFD-QWHCGFSZSA-N	-1	0	383.382	0.148	20	5		GCBDRM
O=C([O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC000739588421	600126042	/nfs/dbraw/zinc/12/60/42/600126042.db2.gz	PYMHVVNCBJQMBI-GFCCVEGCSA-N	-1	0	399.425	0.917	20	5		GCBDRM
CCN(CC)S(=O)(=O)c1ccc(OC(=O)CNC(=O)[O-])c([N+](=O)[O-])c1	ZINC000737088265	600129451	/nfs/dbraw/zinc/12/94/51/600129451.db2.gz	IZRWJUMIMHCREX-UHFFFAOYSA-N	-1	0	375.359	0.798	20	5		GCBDRM
CCOC(=O)c1cnn(C)c1NC(=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC000737154901	600165395	/nfs/dbraw/zinc/16/53/95/600165395.db2.gz	NCTFOCMKOFGGTG-UHFFFAOYSA-N	-1	0	393.312	0.004	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000596003595	600197640	/nfs/dbraw/zinc/19/76/40/600197640.db2.gz	SOTVYTXAQHEVMD-VIFPVBQESA-N	-1	0	377.313	0.712	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000596004102	600197765	/nfs/dbraw/zinc/19/77/65/600197765.db2.gz	UXEHVUDVKDOPGT-VIFPVBQESA-N	-1	0	393.381	1.181	20	5		GCBDRM
O=C([O-])NCCC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000739949318	600201859	/nfs/dbraw/zinc/20/18/59/600201859.db2.gz	VUEJSCHJSPHJGE-UHFFFAOYSA-N	-1	0	383.313	0.896	20	5		GCBDRM
CCOC[C@H](O)CN1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737160950	600206156	/nfs/dbraw/zinc/20/61/56/600206156.db2.gz	BFCLQVOFYQBOFZ-GFCCVEGCSA-N	-1	0	398.372	0.721	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1	ZINC000610892034	600251029	/nfs/dbraw/zinc/25/10/29/600251029.db2.gz	LOMWQVGCVOFEDC-UWVGGRQHSA-N	-1	0	383.382	0.573	20	5		GCBDRM
O=C([O-])CCc1nnc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000739771775	600269092	/nfs/dbraw/zinc/26/90/92/600269092.db2.gz	GVNUETWYOTUPQV-UHFFFAOYSA-N	-1	0	379.354	0.832	20	5		GCBDRM
CC[C@@H](C)[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736880409	600368220	/nfs/dbraw/zinc/36/82/20/600368220.db2.gz	WGXUSFZTPONPTI-YGRLFVJLSA-N	-1	0	387.414	0.831	20	5		GCBDRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262635472	600377612	/nfs/dbraw/zinc/37/76/12/600377612.db2.gz	GANSHIMAIXPQOA-NSHDSACASA-N	-1	0	385.398	0.539	20	5		GCBDRM
COCCN(CC(=O)[O-])C(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000737768109	600383163	/nfs/dbraw/zinc/38/31/63/600383163.db2.gz	QFDYGWLQJAGOHU-VIFPVBQESA-N	-1	0	379.325	0.139	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000739791329	600415122	/nfs/dbraw/zinc/41/51/22/600415122.db2.gz	NJOOKPBPWJGALW-UHFFFAOYSA-N	-1	0	391.377	0.141	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCC[C@H](N3CCNC3=O)C2)c([N+](=O)[O-])c1	ZINC000739811971	600435416	/nfs/dbraw/zinc/43/54/16/600435416.db2.gz	DMRWWVLNGPPSQP-LBPRGKRZSA-N	-1	0	391.384	0.403	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-]	ZINC000737926333	600536631	/nfs/dbraw/zinc/53/66/31/600536631.db2.gz	TYNBYZRELWQQDO-UHFFFAOYSA-N	-1	0	377.309	0.941	20	5		GCBDRM
C[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000594459512	600537007	/nfs/dbraw/zinc/53/70/07/600537007.db2.gz	BSBCYWHVKRYUKF-GWCFXTLKSA-N	-1	0	385.398	0.585	20	5		GCBDRM
C[C@@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000736212503	600617332	/nfs/dbraw/zinc/61/73/32/600617332.db2.gz	SYHRJONFSZZDCW-QPFGOUBPSA-N	-1	0	375.337	0.949	20	5		GCBDRM
COCCN(CCC(=O)[O-])C(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000737786441	600622256	/nfs/dbraw/zinc/62/22/56/600622256.db2.gz	QWWLKBXXQMXQGG-JTQLQIEISA-N	-1	0	393.352	0.529	20	5		GCBDRM
C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCC(=O)[O-]	ZINC000827825522	600676354	/nfs/dbraw/zinc/67/63/54/600676354.db2.gz	GIXFRMNHINKJJX-DTWKUNHWSA-N	-1	0	399.381	0.393	20	5		GCBDRM
O=C([O-])c1ccc(=O)n(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000740111562	600706790	/nfs/dbraw/zinc/70/67/90/600706790.db2.gz	LGBBNBOPSBTWJZ-UHFFFAOYSA-N	-1	0	387.352	0.265	20	5		GCBDRM
CNS(=O)(=O)[C@H]1CCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1	ZINC000831023992	600814038	/nfs/dbraw/zinc/81/40/38/600814038.db2.gz	ACTGBUGSAHRNEP-VIFPVBQESA-N	-1	0	388.358	0.719	20	5		GCBDRM
O=C([O-])CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000575870232	600957501	/nfs/dbraw/zinc/95/75/01/600957501.db2.gz	YZUHXZJQSFHBDY-UHFFFAOYSA-N	-1	0	394.384	0.486	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1	ZINC000833248504	600985179	/nfs/dbraw/zinc/98/51/79/600985179.db2.gz	NIVJXRUPJQWCSV-UHFFFAOYSA-N	-1	0	390.400	0.530	20	5		GCBDRM
CNC(=O)CC1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000830984392	600987547	/nfs/dbraw/zinc/98/75/47/600987547.db2.gz	OQLWJTGVHDKHSC-UHFFFAOYSA-N	-1	0	378.385	0.762	20	5		GCBDRM
O=C([O-])CN(CCN1CCOCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000739787059	601019459	/nfs/dbraw/zinc/01/94/59/601019459.db2.gz	VVJAVFSNXPMRAV-UHFFFAOYSA-N	-1	0	381.341	0.183	20	5		GCBDRM
Cc1c(C(=O)N(CCN2CCOCC2)CC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000738259044	601019469	/nfs/dbraw/zinc/01/94/69/601019469.db2.gz	YYJRYILTWRGYRT-UHFFFAOYSA-N	-1	0	396.356	0.670	20	5		GCBDRM
Cn1ccc(N2CCC[C@H](NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2=O)n1	ZINC000738411651	601044757	/nfs/dbraw/zinc/04/47/57/601044757.db2.gz	RQJSCZZKLPQUBV-ZDUSSCGKSA-N	-1	0	387.352	0.952	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc([N+](=O)[O-])c1	ZINC000833360377	601095518	/nfs/dbraw/zinc/09/55/18/601095518.db2.gz	GZOXEIAAULKREY-QLJPJBMISA-N	-1	0	376.325	0.401	20	5		GCBDRM
O=C([O-])c1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc([N+](=O)[O-])c1	ZINC000833360376	601095696	/nfs/dbraw/zinc/09/56/96/601095696.db2.gz	GZOXEIAAULKREY-QFYYESIMSA-N	-1	0	376.325	0.401	20	5		GCBDRM
Cn1cc([C@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833044146	601254212	/nfs/dbraw/zinc/25/42/12/601254212.db2.gz	RFHHSAIEXYUJKL-OAHLLOKOSA-N	-1	0	389.368	0.721	20	5		GCBDRM
CC(C)(CNC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1	ZINC000826562004	601296201	/nfs/dbraw/zinc/29/62/01/601296201.db2.gz	UWROGUOZRIQPCV-UHFFFAOYSA-N	-1	0	381.385	0.899	20	5		GCBDRM
Cc1c(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000832850757	601314813	/nfs/dbraw/zinc/31/48/13/601314813.db2.gz	YRWPGFXSTNJHPJ-UHFFFAOYSA-N	-1	0	382.354	0.840	20	5		GCBDRM
O=C([O-])CC1(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCOCC1	ZINC000595999680	601330785	/nfs/dbraw/zinc/33/07/85/601330785.db2.gz	GLWDVVRMQMWIHX-UHFFFAOYSA-N	-1	0	394.384	0.534	20	5		GCBDRM
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@](F)(C(=O)[O-])C2)C1=O	ZINC000828122320	601370825	/nfs/dbraw/zinc/37/08/25/601370825.db2.gz	OMSPSGYYAXXSBS-HZPDHXFCSA-N	-1	0	380.332	0.818	20	5		GCBDRM
COC(=O)[C@H](C)NC(=O)c1ccc(N2CCO[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831060330	601382864	/nfs/dbraw/zinc/38/28/64/601382864.db2.gz	SHBFDJJSUXBJJH-JQWIXIFHSA-N	-1	0	395.368	0.566	20	5		GCBDRM
O=C([O-])c1cc(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc([N+](=O)[O-])c1	ZINC000833299648	601407274	/nfs/dbraw/zinc/40/72/74/601407274.db2.gz	FGPCELMTEVFENC-CYBMUJFWSA-N	-1	0	392.349	0.962	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCN(C3CC3)C(=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703924	601435315	/nfs/dbraw/zinc/43/53/15/601435315.db2.gz	UNXHSUAEALKFCL-SNVBAGLBSA-N	-1	0	376.369	0.609	20	5		GCBDRM
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@H]1C(=O)[O-]	ZINC000828499581	601564330	/nfs/dbraw/zinc/56/43/30/601564330.db2.gz	CNCGOSIQICSQNW-DGCLKSJQSA-N	-1	0	399.425	0.773	20	5		GCBDRM
CC(C)(CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000826579843	601687404	/nfs/dbraw/zinc/68/74/04/601687404.db2.gz	AXRKNIRGVMJWJS-UHFFFAOYSA-N	-1	0	388.402	0.283	20	5		GCBDRM
COC[C@](C)(NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)[O-]	ZINC000271892972	601697737	/nfs/dbraw/zinc/69/77/37/601697737.db2.gz	OHSZMJKLKCPRFE-KRWDZBQOSA-N	-1	0	390.352	0.669	20	5		GCBDRM
CN(CC(=O)N1CC[C@](F)(C(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000830665589	601709143	/nfs/dbraw/zinc/70/91/43/601709143.db2.gz	CFUMYVOSAWCQJN-CQSZACIVSA-N	-1	0	389.361	0.241	20	5		GCBDRM
CN(CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-]	ZINC000830674567	601717751	/nfs/dbraw/zinc/71/77/51/601717751.db2.gz	LSQWIWCEEQPMIX-UHFFFAOYSA-N	-1	0	385.398	0.179	20	5		GCBDRM
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@]1(C(=O)[O-])CCOC1	ZINC000611464274	601736565	/nfs/dbraw/zinc/73/65/65/601736565.db2.gz	MANFKSRRLOGKEG-MRXNPFEDSA-N	-1	0	379.325	0.643	20	5		GCBDRM
O=C([O-])C[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1	ZINC000262404656	601739142	/nfs/dbraw/zinc/73/91/42/601739142.db2.gz	ASMNHVOOAVLPRH-SECBINFHSA-N	-1	0	385.760	0.680	20	5		GCBDRM
Cc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000262466711	601740036	/nfs/dbraw/zinc/74/00/36/601740036.db2.gz	YGQVAMAAJMFGAE-ZDUSSCGKSA-N	-1	0	375.341	0.800	20	5		GCBDRM
CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000610891945	601749719	/nfs/dbraw/zinc/74/97/19/601749719.db2.gz	IUNPMFUZOSSWQD-SMDDNHRTSA-N	-1	0	399.425	0.975	20	5		GCBDRM
CC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000592469109	601754157	/nfs/dbraw/zinc/75/41/57/601754157.db2.gz	VFWMMXAJKLLDCF-QWHCGFSZSA-N	-1	0	385.398	0.727	20	5		GCBDRM
C[C@@H](CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(=O)[O-]	ZINC000827545988	601775520	/nfs/dbraw/zinc/77/55/20/601775520.db2.gz	GUTYKCDVVKAOEL-VIFPVBQESA-N	-1	0	391.427	0.465	20	5		GCBDRM
O=C([O-])C1(CNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000833132828	601780102	/nfs/dbraw/zinc/78/01/02/601780102.db2.gz	DNGFAVKEJQZYII-KBPBESRZSA-N	-1	0	381.385	0.933	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC000832976065	601808544	/nfs/dbraw/zinc/80/85/44/601808544.db2.gz	MCDBHQFKNDCGFJ-UHFFFAOYSA-N	-1	0	392.411	0.214	20	5		GCBDRM
CCNc1ccc(C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)cc1[N+](=O)[O-]	ZINC000829808773	601820440	/nfs/dbraw/zinc/82/04/40/601820440.db2.gz	DFNGTYIKKSFYSN-UHFFFAOYSA-N	-1	0	385.398	0.788	20	5		GCBDRM
COCc1nc2n(n1)C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CC2	ZINC000831831614	602059970	/nfs/dbraw/zinc/05/99/70/602059970.db2.gz	NFWPTGXJVJFSPS-LLVKDONJSA-N	-1	0	375.341	0.776	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)c1=O	ZINC000831353221	602299809	/nfs/dbraw/zinc/29/98/09/602299809.db2.gz	FISYHEMGFJDSLE-GFCCVEGCSA-N	-1	0	392.320	0.681	20	5		GCBDRM
O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1	ZINC000833263066	602351488	/nfs/dbraw/zinc/35/14/88/602351488.db2.gz	FYJUHIATOWQTGH-UHFFFAOYSA-N	-1	0	393.377	0.919	20	5		GCBDRM
Cn1cc(NC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000833049369	602355085	/nfs/dbraw/zinc/35/50/85/602355085.db2.gz	UHOFBNCSRKINPR-JSGCOSHPSA-N	-1	0	378.341	0.848	20	5		GCBDRM
NC(=O)c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826393893	607576024	/nfs/dbraw/zinc/57/60/24/607576024.db2.gz	OAAQZESCYZFRNI-UHFFFAOYSA-N	-1	0	390.337	0.642	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826499965	607576297	/nfs/dbraw/zinc/57/62/97/607576297.db2.gz	GNLBOLLDSGWURH-UHFFFAOYSA-N	-1	0	393.297	0.846	20	5		GCBDRM
NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1	ZINC000826393572	607579004	/nfs/dbraw/zinc/57/90/04/607579004.db2.gz	YJUQRQBKUCRAQS-UHFFFAOYSA-N	-1	0	390.337	0.642	20	5		GCBDRM
CC(=O)N1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000823972756	607580010	/nfs/dbraw/zinc/58/00/10/607580010.db2.gz	GOILHMIYJAWVSS-UHFFFAOYSA-N	-1	0	395.401	0.064	20	5		GCBDRM
C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824908194	607591380	/nfs/dbraw/zinc/59/13/80/607591380.db2.gz	NMJBCMXOZKUDPZ-BDAKNGLRSA-N	-1	0	395.401	0.049	20	5		GCBDRM
C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824908196	607591421	/nfs/dbraw/zinc/59/14/21/607591421.db2.gz	NMJBCMXOZKUDPZ-IUCAKERBSA-N	-1	0	395.401	0.049	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)NC(C)(C)C	ZINC000824640536	607596842	/nfs/dbraw/zinc/59/68/42/607596842.db2.gz	KKWUGSDLAIFKSJ-MRVPVSSYSA-N	-1	0	397.417	0.356	20	5		GCBDRM
CCN(C[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825417011	607600607	/nfs/dbraw/zinc/60/06/07/607600607.db2.gz	NZQLOUBYGJOKCU-SNVBAGLBSA-N	-1	0	382.402	0.822	20	5		GCBDRM
Cc1nc(C(C)(C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)no1	ZINC000826323333	607603404	/nfs/dbraw/zinc/60/34/04/607603404.db2.gz	AFCLMIZMDMNISG-UHFFFAOYSA-N	-1	0	394.373	0.680	20	5		GCBDRM
COC(=O)C(C)(C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826098497	607606475	/nfs/dbraw/zinc/60/64/75/607606475.db2.gz	GMADNFLJBIDMHF-UHFFFAOYSA-N	-1	0	384.374	0.347	20	5		GCBDRM
COC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(C)(C)C	ZINC000826112087	607616703	/nfs/dbraw/zinc/61/67/03/607616703.db2.gz	RYEDGJBLAVAGAQ-NSHDSACASA-N	-1	0	398.401	0.641	20	5		GCBDRM
CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@H]2CCO[C@@H]21	ZINC000824790083	607643588	/nfs/dbraw/zinc/64/35/88/607643588.db2.gz	KIEPVGSDWNEYGX-WQHBLYJGSA-N	-1	0	394.413	0.867	20	5		GCBDRM
CC(C)(CO)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824162436	607643600	/nfs/dbraw/zinc/64/36/00/607643600.db2.gz	HSMHHXHOGILOFE-UHFFFAOYSA-N	-1	0	384.418	0.852	20	5		GCBDRM
CCC[C@@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825242552	607656172	/nfs/dbraw/zinc/65/61/72/607656172.db2.gz	UUKLLLFYXOSQJY-JTQLQIEISA-N	-1	0	384.418	0.852	20	5		GCBDRM
CC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825043145	607662640	/nfs/dbraw/zinc/66/26/40/607662640.db2.gz	FFLWZROWBVWOII-AWEZNQCLSA-N	-1	0	398.401	0.785	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccncc2)c1-c1nnn[n-]1	ZINC000826500489	607674503	/nfs/dbraw/zinc/67/45/03/607674503.db2.gz	ZVNSNJXYWSBQEW-UHFFFAOYSA-N	-1	0	375.370	0.691	20	5		GCBDRM
C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000824691351	607678138	/nfs/dbraw/zinc/67/81/38/607678138.db2.gz	ZYPNNPPLTSFFQE-UWVGGRQHSA-N	-1	0	382.402	0.556	20	5		GCBDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000829978857	604493501	/nfs/dbraw/zinc/49/35/01/604493501.db2.gz	REODZGYCPIBOEL-JTQLQIEISA-N	-1	0	390.370	0.476	20	5		GCBDRM
CCn1cc(S(=O)(=O)NCc2cccc(OCC(=O)[O-])c2)c([N+](=O)[O-])n1	ZINC000564840653	604507187	/nfs/dbraw/zinc/50/71/87/604507187.db2.gz	TYNFLENDBDOTCM-UHFFFAOYSA-N	-1	0	384.370	0.753	20	5		GCBDRM
CCn1cc(S(=O)(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000833683783	604508112	/nfs/dbraw/zinc/50/81/12/604508112.db2.gz	XWKPAGWEFYRGOZ-LLVKDONJSA-N	-1	0	398.397	0.739	20	5		GCBDRM
C[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cn(CC(=O)[O-])nn1	ZINC000827851149	604673071	/nfs/dbraw/zinc/67/30/71/604673071.db2.gz	AMDFDGXVCKTNSY-VIFPVBQESA-N	-1	0	387.312	0.770	20	5		GCBDRM
O=C([O-])c1ccc(Cl)c(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1	ZINC000833144383	604877451	/nfs/dbraw/zinc/87/74/51/604877451.db2.gz	YBUAPBHMWRTONQ-UHFFFAOYSA-N	-1	0	381.732	0.898	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	ZINC000833252273	604944026	/nfs/dbraw/zinc/94/40/26/604944026.db2.gz	OUPRYYNTHBBRRF-UHFFFAOYSA-N	-1	0	376.329	0.427	20	5		GCBDRM
Cn1cnnc1Sc1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000740294273	604953412	/nfs/dbraw/zinc/95/34/12/604953412.db2.gz	LLXLTFXEBWROBF-UHFFFAOYSA-N	-1	0	378.370	0.967	20	5		GCBDRM
CS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833737796	605002822	/nfs/dbraw/zinc/00/28/22/605002822.db2.gz	KODUMKKUPUGWRT-UHFFFAOYSA-N	-1	0	376.412	0.936	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ncccc2F)c1-c1nnn[n-]1	ZINC000826500059	607744103	/nfs/dbraw/zinc/74/41/03/607744103.db2.gz	JQGFWCKKWVCYNO-UHFFFAOYSA-N	-1	0	379.333	0.788	20	5		GCBDRM
CCN(CC)C(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000833653908	605336172	/nfs/dbraw/zinc/33/61/72/605336172.db2.gz	PANSPDKPVRMSBD-UHFFFAOYSA-N	-1	0	392.412	0.919	20	5		GCBDRM
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C(=O)NCc1ccco1	ZINC000833523457	605390809	/nfs/dbraw/zinc/39/08/09/605390809.db2.gz	PKFQKUBPRRIWHH-SECBINFHSA-N	-1	0	397.365	0.869	20	5		GCBDRM
CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC000833397065	605390920	/nfs/dbraw/zinc/39/09/20/605390920.db2.gz	VQMCFURORIOHDT-NSHDSACASA-N	-1	0	385.398	0.830	20	5		GCBDRM
CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])CC2	ZINC000833677501	605395411	/nfs/dbraw/zinc/39/54/11/605395411.db2.gz	RPKFOCYNOMGZAS-VIFPVBQESA-N	-1	0	395.397	0.740	20	5		GCBDRM
C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833589597	605396179	/nfs/dbraw/zinc/39/61/79/605396179.db2.gz	WRCKZMOYZVCMBY-IUCAKERBSA-N	-1	0	392.411	0.489	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCS1(=O)=O	ZINC000833631481	605397299	/nfs/dbraw/zinc/39/72/99/605397299.db2.gz	PCNOTRONKYVGOV-MRVPVSSYSA-N	-1	0	378.384	0.101	20	5		GCBDRM
CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833737296	605401898	/nfs/dbraw/zinc/40/18/98/605401898.db2.gz	AHUFVSKZYKICFB-UHFFFAOYSA-N	-1	0	392.411	0.491	20	5		GCBDRM
COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C(=O)[O-])C1	ZINC000833705222	605691549	/nfs/dbraw/zinc/69/15/49/605691549.db2.gz	CJPSNWCITUZMJL-MFKMUULPSA-N	-1	0	395.368	0.880	20	5		GCBDRM
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000739298482	605716349	/nfs/dbraw/zinc/71/63/49/605716349.db2.gz	YKLRBMKKGWDDHM-LBPRGKRZSA-N	-1	0	379.373	0.653	20	5		GCBDRM
CC[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1	ZINC000820926149	606479509	/nfs/dbraw/zinc/47/95/09/606479509.db2.gz	POINHIXFCLKWNO-NSHDSACASA-N	-1	0	386.372	0.736	20	5		GCBDRM
CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821175785	606730363	/nfs/dbraw/zinc/73/03/63/606730363.db2.gz	VVQIVVNHSJHPIY-UHFFFAOYSA-N	-1	0	397.417	0.264	20	5		GCBDRM
CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821616816	606730947	/nfs/dbraw/zinc/73/09/47/606730947.db2.gz	IVYGRZMGSOEODA-UHFFFAOYSA-N	-1	0	378.374	0.329	20	5		GCBDRM
Cc1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)no1	ZINC000822199924	606731350	/nfs/dbraw/zinc/73/13/50/606731350.db2.gz	NIPFZNAHNBIBSR-UHFFFAOYSA-N	-1	0	379.358	0.892	20	5		GCBDRM
C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC(C)(C)O1	ZINC000820766868	606732397	/nfs/dbraw/zinc/73/23/97/606732397.db2.gz	DJNBMCNRDJFCND-VIFPVBQESA-N	-1	0	382.402	0.963	20	5		GCBDRM
CCO[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000821367257	606732912	/nfs/dbraw/zinc/73/29/12/606732912.db2.gz	DXICTCXZOLZDDT-JTQLQIEISA-N	-1	0	382.402	0.965	20	5		GCBDRM
COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821639482	606733023	/nfs/dbraw/zinc/73/30/23/606733023.db2.gz	ZULVLDCGRGECQA-MRVPVSSYSA-N	-1	0	384.374	0.205	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1-c1nnn[n-]1	ZINC000823647519	606733742	/nfs/dbraw/zinc/73/37/42/606733742.db2.gz	LJIHORYRYIABPX-LLVKDONJSA-N	-1	0	393.429	0.634	20	5		GCBDRM
CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C[C@@H](C)O1	ZINC000820995734	606733927	/nfs/dbraw/zinc/73/39/27/606733927.db2.gz	WRMGNZKACCXANL-ZJUUUORDSA-N	-1	0	382.402	0.963	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)c1-c1nnn[n-]1	ZINC000823646950	606737325	/nfs/dbraw/zinc/73/73/25/606737325.db2.gz	DQNBFOFPCMORNC-CQSZACIVSA-N	-1	0	380.386	0.576	20	5		GCBDRM
Cc1cc(=O)n(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000822159526	607155319	/nfs/dbraw/zinc/15/53/19/607155319.db2.gz	ARPSRMMNVCEWDR-UHFFFAOYSA-N	-1	0	391.369	0.583	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[nH]n3)[nH]2)c([N+](=O)[O-])c1	ZINC000826211641	607776708	/nfs/dbraw/zinc/77/67/08/607776708.db2.gz	NNSVVPSRZVPHHI-UHFFFAOYSA-N	-1	0	393.341	0.230	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c([N+](=O)[O-])n1	ZINC000825805028	607933298	/nfs/dbraw/zinc/93/32/98/607933298.db2.gz	OQMLPYOQCVEWJA-UHFFFAOYSA-N	-1	0	382.337	0.931	20	5		GCBDRM
Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c[nH]c1=O	ZINC000826271234	607934359	/nfs/dbraw/zinc/93/43/59/607934359.db2.gz	JBIJSSFDTXLPQB-UHFFFAOYSA-N	-1	0	377.342	0.985	20	5		GCBDRM
C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824677123	607970980	/nfs/dbraw/zinc/97/09/80/607970980.db2.gz	BNNINXPUCMFLSG-ZJUUUORDSA-N	-1	0	382.402	0.699	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(Cc3ccc(-c4nn[nH]n4)cc3)n2)n1	ZINC000826363102	608280575	/nfs/dbraw/zinc/28/05/75/608280575.db2.gz	XKEWNPUQWPQHHR-UHFFFAOYSA-N	-1	0	395.343	0.401	20	5		GCBDRM
CCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)OC	ZINC000825242282	608306563	/nfs/dbraw/zinc/30/65/63/608306563.db2.gz	NFCXLHGNLYMYHX-MRVPVSSYSA-N	-1	0	384.374	0.395	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)c1-c1nnn[n-]1	ZINC000826500025	608441199	/nfs/dbraw/zinc/44/11/99/608441199.db2.gz	IOKOGUBWXOOSGV-AOOOYVTPSA-N	-1	0	382.402	0.604	20	5		GCBDRM
CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2Cl)c1=O	ZINC000825799884	609448222	/nfs/dbraw/zinc/44/82/22/609448222.db2.gz	VMGHIWAOIFBRSD-UHFFFAOYSA-N	-1	0	377.748	0.820	20	5		GCBDRM
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)[C@H]1CCCOC1	ZINC000824640373	609580153	/nfs/dbraw/zinc/58/01/53/609580153.db2.gz	HJLCSMVNZGFJPK-UWVGGRQHSA-N	-1	0	382.402	0.868	20	5		GCBDRM
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000729886723	639201287	/nfs/dbraw/zinc/20/12/87/639201287.db2.gz	KECSNNLDYRQOHQ-SNVBAGLBSA-N	-1	0	376.387	0.850	20	5		GCBDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000729911919	639202773	/nfs/dbraw/zinc/20/27/73/639202773.db2.gz	HCGFXPZLNCTUEQ-UHFFFAOYSA-N	-1	0	379.416	0.313	20	5		GCBDRM
COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000730918840	639745872	/nfs/dbraw/zinc/74/58/72/639745872.db2.gz	HLXXPKVKXGAPNK-UHFFFAOYSA-N	-1	0	375.359	0.545	20	5		GCBDRM
CCOCCS(=O)(=O)[N-]C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000732507581	639810072	/nfs/dbraw/zinc/81/00/72/639810072.db2.gz	AIMKSNQQFZBYPY-UHFFFAOYSA-N	-1	0	391.427	0.268	20	5		GCBDRM
CNc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)cc1[N+](=O)[O-]	ZINC000732615901	639812368	/nfs/dbraw/zinc/81/23/68/639812368.db2.gz	VRTVCZYOBUNYDF-UHFFFAOYSA-N	-1	0	384.395	0.916	20	5		GCBDRM
CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1=O	ZINC000732622355	639812815	/nfs/dbraw/zinc/81/28/15/639812815.db2.gz	GCASRLDTMRZHRW-VIFPVBQESA-N	-1	0	375.428	0.966	20	5		GCBDRM
O=C(CSc1nnnn1C1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732623629	639812882	/nfs/dbraw/zinc/81/28/82/639812882.db2.gz	ZHOIYOKSOUQLTA-UHFFFAOYSA-N	-1	0	390.428	0.575	20	5		GCBDRM
CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000733052929	639816758	/nfs/dbraw/zinc/81/67/58/639816758.db2.gz	AASXFURAUKCAMN-LBPRGKRZSA-N	-1	0	391.427	0.214	20	5		GCBDRM
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000917443277	639851573	/nfs/dbraw/zinc/85/15/73/639851573.db2.gz	TVJUBRFPFLFILP-UHFFFAOYSA-N	-1	0	387.395	0.456	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000917446033	639852219	/nfs/dbraw/zinc/85/22/19/639852219.db2.gz	SVWKDUIYYPVAOA-LLVKDONJSA-N	-1	0	391.427	0.132	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000920099903	639915631	/nfs/dbraw/zinc/91/56/31/639915631.db2.gz	ULBOEDNMXPHVRM-JTQLQIEISA-N	-1	0	391.427	0.071	20	5		GCBDRM
NC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000920331393	639920509	/nfs/dbraw/zinc/92/05/09/639920509.db2.gz	LADAQSPNLTULBR-QMMMGPOBSA-N	-1	0	390.805	0.844	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2S(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000734737448	640001031	/nfs/dbraw/zinc/00/10/31/640001031.db2.gz	LQOORYYGHRNMCE-GFCCVEGCSA-N	-1	0	391.427	0.132	20	5		GCBDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)s1	ZINC000788071859	640026729	/nfs/dbraw/zinc/02/67/29/640026729.db2.gz	ZQARSZXGWYMVHB-UHFFFAOYSA-N	-1	0	388.387	0.101	20	5		GCBDRM
COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)s1	ZINC000741111820	640220506	/nfs/dbraw/zinc/22/05/06/640220506.db2.gz	ARFFPURPRIRJCG-UHFFFAOYSA-N	-1	0	388.383	0.535	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccn(CCS(C)(=O)=O)n1	ZINC000741200886	640222736	/nfs/dbraw/zinc/22/27/36/640222736.db2.gz	JBKMTNDTDINDJO-UHFFFAOYSA-N	-1	0	388.427	0.945	20	5		GCBDRM
O=C([N-]N1CC(=O)NC1=O)c1cc([N+](=O)[O-])ccc1I	ZINC000743288517	640254005	/nfs/dbraw/zinc/25/40/05/640254005.db2.gz	WZTVIOFXMZTKJN-UHFFFAOYSA-N	-1	0	390.093	0.396	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1	ZINC000747288485	640309123	/nfs/dbraw/zinc/30/91/23/640309123.db2.gz	LONQRXQNERGLAU-UHFFFAOYSA-N	-1	0	379.276	0.710	20	5		GCBDRM
O=C(CCNC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750762998	640367357	/nfs/dbraw/zinc/36/73/57/640367357.db2.gz	LBSJJKOCWWHISL-UHFFFAOYSA-N	-1	0	384.395	0.676	20	5		GCBDRM
CC(C)(C)OC(=O)CSCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750758407	640367395	/nfs/dbraw/zinc/36/73/95/640367395.db2.gz	YWQNHDFUBXWPMH-UHFFFAOYSA-N	-1	0	391.427	0.870	20	5		GCBDRM
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000754675365	640457235	/nfs/dbraw/zinc/45/72/35/640457235.db2.gz	SAKLEGZKCLHSCN-UHFFFAOYSA-N	-1	0	380.766	0.334	20	5		GCBDRM
CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000754671908	640457279	/nfs/dbraw/zinc/45/72/79/640457279.db2.gz	IXJJNNCCTSBQGY-UHFFFAOYSA-N	-1	0	378.794	0.552	20	5		GCBDRM
CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CCC1	ZINC000754681136	640457906	/nfs/dbraw/zinc/45/79/06/640457906.db2.gz	KFWYFIIYSBDUNP-UHFFFAOYSA-N	-1	0	390.805	0.552	20	5		GCBDRM
CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000755690335	640473331	/nfs/dbraw/zinc/47/33/31/640473331.db2.gz	HAVJRUODAFTUMQ-LLVKDONJSA-N	-1	0	392.821	0.356	20	5		GCBDRM
CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl	ZINC000755690339	640473379	/nfs/dbraw/zinc/47/33/79/640473379.db2.gz	HAVJRUODAFTUMQ-NSHDSACASA-N	-1	0	392.821	0.356	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000755780014	640474973	/nfs/dbraw/zinc/47/49/73/640474973.db2.gz	SKFYPWOKZJLIIP-UHFFFAOYSA-N	-1	0	385.379	0.883	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)n1	ZINC000755850428	640475693	/nfs/dbraw/zinc/47/56/93/640475693.db2.gz	RKQGOWOIFIHXMR-UHFFFAOYSA-N	-1	0	378.317	0.392	20	5		GCBDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2	ZINC000756188852	640485621	/nfs/dbraw/zinc/48/56/21/640485621.db2.gz	GONKSWBTLMONTI-UHFFFAOYSA-N	-1	0	386.773	0.885	20	5		GCBDRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2C)s1	ZINC000759518996	640552279	/nfs/dbraw/zinc/55/22/79/640552279.db2.gz	KBRNJSYYOKUJQC-UHFFFAOYSA-N	-1	0	385.383	0.832	20	5		GCBDRM
COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000761421789	640593752	/nfs/dbraw/zinc/59/37/52/640593752.db2.gz	PDVLOVACDXQRPV-UHFFFAOYSA-N	-1	0	375.359	0.545	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc([N+](=O)[O-])c1	ZINC000762131126	640601002	/nfs/dbraw/zinc/60/10/02/640601002.db2.gz	IATHTHPMJHHQCX-SECBINFHSA-N	-1	0	392.411	0.094	20	5		GCBDRM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nc1	ZINC000764953125	640656568	/nfs/dbraw/zinc/65/65/68/640656568.db2.gz	COJLYRXZTFBAFA-UHFFFAOYSA-N	-1	0	390.374	0.838	20	5		GCBDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)nn1	ZINC000766647073	640701072	/nfs/dbraw/zinc/70/10/72/640701072.db2.gz	FRODAPDSTVJAJP-UHFFFAOYSA-N	-1	0	388.793	0.951	20	5		GCBDRM
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000768786701	640760225	/nfs/dbraw/zinc/76/02/25/640760225.db2.gz	RNUGAPIIWLSWAE-UHFFFAOYSA-N	-1	0	394.203	0.641	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1COCCO1	ZINC000770746022	640813506	/nfs/dbraw/zinc/81/35/06/640813506.db2.gz	JAVUKSREANOXFA-JTQLQIEISA-N	-1	0	395.187	0.578	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1	ZINC000770771824	640814604	/nfs/dbraw/zinc/81/46/04/640814604.db2.gz	GOLHDJRXWZLHFO-UHFFFAOYSA-N	-1	0	394.402	0.754	20	5		GCBDRM
O=C([O-])[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000776447185	641096741	/nfs/dbraw/zinc/09/67/41/641096741.db2.gz	HDPRKWJFXQDWCA-MRVPVSSYSA-N	-1	0	383.176	0.471	20	5		GCBDRM
Cn1c(Cl)ncc1S(=O)(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000776493127	641097888	/nfs/dbraw/zinc/09/78/88/641097888.db2.gz	FEKYRAKMHNQOKJ-JTQLQIEISA-N	-1	0	388.789	0.956	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)NCCc2n[n-]c(=S)o2)c([N+](=O)[O-])c1	ZINC000776538889	641100283	/nfs/dbraw/zinc/10/02/83/641100283.db2.gz	WBZDYOZUVRXNIQ-UHFFFAOYSA-N	-1	0	383.411	0.816	20	5		GCBDRM
COC[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776626231	641107656	/nfs/dbraw/zinc/10/76/56/641107656.db2.gz	MHKFNEIKJZWRJQ-SSDOTTSWSA-N	-1	0	383.176	0.735	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000776715734	641114411	/nfs/dbraw/zinc/11/44/11/641114411.db2.gz	NITVBJALHDPQII-SDWAUSNYSA-N	-1	0	380.375	0.249	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000779214798	641182593	/nfs/dbraw/zinc/18/25/93/641182593.db2.gz	FFFCOINGZSPBEB-UHFFFAOYSA-N	-1	0	381.313	0.503	20	5		GCBDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000781803428	641237734	/nfs/dbraw/zinc/23/77/34/641237734.db2.gz	HJHCAKIPUANHIU-VIFPVBQESA-N	-1	0	375.359	0.917	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000789482674	641390773	/nfs/dbraw/zinc/39/07/73/641390773.db2.gz	MOIVEGZNSYAKPB-LLVKDONJSA-N	-1	0	391.427	0.132	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cc([N+](=O)[O-])c1F	ZINC000790075249	641407614	/nfs/dbraw/zinc/40/76/14/641407614.db2.gz	JXQZKISMWDJFOA-NOZJJQNGSA-N	-1	0	376.362	0.889	20	5		GCBDRM
COc1cncc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)n1	ZINC000791816216	641438705	/nfs/dbraw/zinc/43/87/05/641438705.db2.gz	NOKODSLXOPPZIP-UHFFFAOYSA-N	-1	0	387.761	0.748	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CC2OCCCO2)cc1[N+](=O)[O-]	ZINC000793158112	641465046	/nfs/dbraw/zinc/46/50/46/641465046.db2.gz	JNXHHKOMPMOGST-UHFFFAOYSA-N	-1	0	379.778	0.788	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000797969692	641574995	/nfs/dbraw/zinc/57/49/95/641574995.db2.gz	RYTBTZYSRALQEL-UHFFFAOYSA-N	-1	0	382.383	0.691	20	5		GCBDRM
O=C(Cn1cc(Cl)cn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000808982616	641698174	/nfs/dbraw/zinc/69/81/74/641698174.db2.gz	AWAHIVCLPOBDIV-UHFFFAOYSA-N	-1	0	389.733	0.858	20	5		GCBDRM
CN1C(=O)CN([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O	ZINC000809832099	641714005	/nfs/dbraw/zinc/71/40/05/641714005.db2.gz	GYWPJOXHMMSTQV-UHFFFAOYSA-N	-1	0	383.169	0.989	20	5		GCBDRM
CC(C)OCCO[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000812802024	641776185	/nfs/dbraw/zinc/77/61/85/641776185.db2.gz	VWZOARFSYKKSLL-UHFFFAOYSA-N	-1	0	375.403	0.688	20	5		GCBDRM
O=C(C[C@@H]1CCCS(=O)(=O)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000815985258	641838787	/nfs/dbraw/zinc/83/87/87/641838787.db2.gz	KOTFMJAENRETRL-VIFPVBQESA-N	-1	0	394.402	0.754	20	5		GCBDRM
O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1I	ZINC000816732382	641863563	/nfs/dbraw/zinc/86/35/63/641863563.db2.gz	DVCCIBZHBRKRRE-UHFFFAOYSA-N	-1	0	391.081	0.586	20	5		GCBDRM
CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1=O	ZINC000819912217	641945061	/nfs/dbraw/zinc/94/50/61/641945061.db2.gz	OZRJBRCOLDRBFC-MRVPVSSYSA-N	-1	0	379.753	0.813	20	5		GCBDRM
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000802162904	642147812	/nfs/dbraw/zinc/14/78/12/642147812.db2.gz	DIILUJRLFRAMPX-IUCAKERBSA-N	-1	0	376.391	0.133	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[N-]OCC(C)(C)O	ZINC000834624825	642215756	/nfs/dbraw/zinc/21/57/56/642215756.db2.gz	OVPJGNYSCHCMSG-VIFPVBQESA-N	-1	0	375.403	0.858	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)c([N+](=O)[O-])c1	ZINC000835097155	642221526	/nfs/dbraw/zinc/22/15/26/642221526.db2.gz	HEMJSMIHROIACP-UHFFFAOYSA-N	-1	0	377.400	0.069	20	5		GCBDRM
CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000837296612	642271309	/nfs/dbraw/zinc/27/13/09/642271309.db2.gz	PYONYSNUYZKLGH-SNVBAGLBSA-N	-1	0	378.334	0.781	20	5		GCBDRM
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000841782802	642319950	/nfs/dbraw/zinc/31/99/50/642319950.db2.gz	HIQCSTWAPMFNKN-NSHDSACASA-N	-1	0	397.203	0.780	20	5		GCBDRM
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)S1(=O)=O	ZINC000842673359	642342255	/nfs/dbraw/zinc/34/22/55/642342255.db2.gz	KHROYKKEDOXJSV-SNVBAGLBSA-N	-1	0	397.818	0.087	20	5		GCBDRM
C[S@@](=O)C1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1	ZINC000844217006	642397629	/nfs/dbraw/zinc/39/76/29/642397629.db2.gz	DDSCANFSYAYIBD-XMMPIXPASA-N	-1	0	391.427	0.044	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCSC1	ZINC000850886319	642701166	/nfs/dbraw/zinc/70/11/66/642701166.db2.gz	TYNMPHJIMMFFQA-JTQLQIEISA-N	-1	0	377.419	0.976	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCSC1	ZINC000850886320	642701311	/nfs/dbraw/zinc/70/13/11/642701311.db2.gz	TYNMPHJIMMFFQA-SNVBAGLBSA-N	-1	0	377.419	0.976	20	5		GCBDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC(F)F)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000851359452	642717946	/nfs/dbraw/zinc/71/79/46/642717946.db2.gz	NHRSWCWFMVHONA-UHFFFAOYSA-N	-1	0	375.313	0.809	20	5		GCBDRM
CCOC(=O)N[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC(C)C	ZINC000858900732	642970197	/nfs/dbraw/zinc/97/01/97/642970197.db2.gz	WGXKJZYOFLYWDE-JTQLQIEISA-N	-1	0	377.423	0.767	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)O1	ZINC000860483994	643033813	/nfs/dbraw/zinc/03/38/13/643033813.db2.gz	IUJIDKKWDIAFCE-MNOVXSKESA-N	-1	0	376.318	0.259	20	5		GCBDRM
CCn1cccc(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1=O	ZINC000432748290	1192662144	/nfs/dbraw/zinc/66/21/44/1192662144.db2.gz	OUSAARVHXCTQPG-UHFFFAOYSA-N	-1	0	381.366	0.953	20	5		GCBDRM
O=C(CN1C(=O)CCC1=O)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000559070536	1184272204	/nfs/dbraw/zinc/27/22/04/1184272204.db2.gz	BZGLMBJSMFZAHP-UHFFFAOYSA-N	-1	0	376.369	0.094	20	5		GCBDRM
CN(C)C(=O)Cn1cnc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1	ZINC000610235369	1184412534	/nfs/dbraw/zinc/41/25/34/1184412534.db2.gz	SJIOQBVYFXYGFN-UHFFFAOYSA-N	-1	0	376.329	0.298	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)[O-]	ZINC000274927422	1184430965	/nfs/dbraw/zinc/43/09/65/1184430965.db2.gz	CHRLGBRLFHFMPB-ZDUSSCGKSA-N	-1	0	387.414	0.275	20	5		GCBDRM
O=C([O-])CC[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000274937272	1184435809	/nfs/dbraw/zinc/43/58/09/1184435809.db2.gz	FOPGWZUNZMXHGA-LBPRGKRZSA-N	-1	0	387.414	0.439	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1C	ZINC000274962486	1184440260	/nfs/dbraw/zinc/44/02/60/1184440260.db2.gz	BOEBNCAKBKLETO-CMPLNLGQSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1C	ZINC000275006786	1184454931	/nfs/dbraw/zinc/45/49/31/1184454931.db2.gz	PFAWQSQBLVAZGR-LLVKDONJSA-N	-1	0	385.398	0.423	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(N)=O	ZINC000275078299	1184498569	/nfs/dbraw/zinc/49/85/69/1184498569.db2.gz	IFTLCKLKKMTNGM-CMPLNLGQSA-N	-1	0	385.398	0.496	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1	ZINC000275109161	1184513927	/nfs/dbraw/zinc/51/39/27/1184513927.db2.gz	MQEDFVBKFPEOHT-PWSUYJOCSA-N	-1	0	383.382	0.291	20	5		GCBDRM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC000275145692	1184532442	/nfs/dbraw/zinc/53/24/42/1184532442.db2.gz	QXLVDLBVFLOOAX-MWLCHTKSSA-N	-1	0	383.382	0.275	20	5		GCBDRM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC000275145686	1184532548	/nfs/dbraw/zinc/53/25/48/1184532548.db2.gz	QXLVDLBVFLOOAX-GXSJLCMTSA-N	-1	0	383.382	0.275	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000275159981	1184536698	/nfs/dbraw/zinc/53/66/98/1184536698.db2.gz	AJAKCLJZCRSBDF-NSHDSACASA-N	-1	0	384.370	0.311	20	5		GCBDRM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1	ZINC000610269764	1184719371	/nfs/dbraw/zinc/71/93/71/1184719371.db2.gz	IPEJQMJYHVDHLB-JOYOIKCWSA-N	-1	0	397.388	0.940	20	5		GCBDRM
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1cnc2n1CCC2	ZINC000547874792	1184731619	/nfs/dbraw/zinc/73/16/19/1184731619.db2.gz	MKHFZTHVGPGWPR-LBPRGKRZSA-N	-1	0	380.382	0.712	20	5		GCBDRM
CCn1cc(S(=O)(=O)NC[C@@H](Cc2cccnc2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547890199	1184734827	/nfs/dbraw/zinc/73/48/27/1184734827.db2.gz	UGDSTUUEEJPKCR-LLVKDONJSA-N	-1	0	383.386	0.428	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000547889005	1184734971	/nfs/dbraw/zinc/73/49/71/1184734971.db2.gz	OPDLJAXKJRDDPS-ZDUSSCGKSA-N	-1	0	382.398	0.919	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547913191	1184755334	/nfs/dbraw/zinc/75/53/34/1184755334.db2.gz	NJIVHEFBINWCOQ-NSHDSACASA-N	-1	0	384.370	0.491	20	5		GCBDRM
CCc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1C	ZINC000748116307	1184760559	/nfs/dbraw/zinc/76/05/59/1184760559.db2.gz	ITFBDMNPGVYTQE-UHFFFAOYSA-N	-1	0	383.342	0.918	20	5		GCBDRM
C[C@](CO)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)CC(=O)[O-]	ZINC000275596247	1184784702	/nfs/dbraw/zinc/78/47/02/1184784702.db2.gz	IUCRNAQZVNRZLL-OAHLLOKOSA-N	-1	0	383.382	0.895	20	5		GCBDRM
O=C([O-])c1cccc(S(=O)(=O)N2CCC[C@H](n3ccnn3)C2)c1[N+](=O)[O-]	ZINC000579480645	1185115480	/nfs/dbraw/zinc/11/54/80/1185115480.db2.gz	IAWJDMPYJJCYKE-JTQLQIEISA-N	-1	0	381.370	0.910	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1OC	ZINC000262120252	1185381274	/nfs/dbraw/zinc/38/12/74/1185381274.db2.gz	GLCPGVXGPCURQI-MEBBXXQBSA-N	-1	0	398.368	0.943	20	5		GCBDRM
COc1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc([N+](=O)[O-])c1OC	ZINC000262217835	1185411742	/nfs/dbraw/zinc/41/17/42/1185411742.db2.gz	KXMFXAFAIFDYSG-VIFPVBQESA-N	-1	0	383.357	0.663	20	5		GCBDRM
C[C@H]1OCC[C@]12CN(S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CCO2	ZINC000581314661	1185587168	/nfs/dbraw/zinc/58/71/68/1185587168.db2.gz	ZOZMZNPONPJCLQ-BMIGLBTASA-N	-1	0	386.382	0.862	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)c([N+](=O)[O-])c1	ZINC000581373236	1185624284	/nfs/dbraw/zinc/62/42/84/1185624284.db2.gz	NYTKKQGDGBMQHH-QWRGUYRKSA-N	-1	0	383.382	0.725	20	5		GCBDRM
O=C([N-]OC[C@@H]1CCOC1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000276331403	1185740453	/nfs/dbraw/zinc/74/04/53/1185740453.db2.gz	FSGAKMVAFCTKDH-DOMZBBRYSA-N	-1	0	399.425	0.832	20	5		GCBDRM
Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000785053295	1185792907	/nfs/dbraw/zinc/79/29/07/1185792907.db2.gz	PQTPMZCPGHHSML-UHFFFAOYSA-N	-1	0	376.354	0.548	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O	ZINC000548212828	1185887300	/nfs/dbraw/zinc/88/73/00/1185887300.db2.gz	ICSODHPWMAWCHV-LLVKDONJSA-N	-1	0	385.398	0.369	20	5		GCBDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-]	ZINC000548217033	1185890611	/nfs/dbraw/zinc/89/06/11/1185890611.db2.gz	LFZWGNBIZLZDIX-GFCCVEGCSA-N	-1	0	398.349	0.949	20	5		GCBDRM
NC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1	ZINC000548221820	1185894909	/nfs/dbraw/zinc/89/49/09/1185894909.db2.gz	BENVCELQVXRWGV-AWEZNQCLSA-N	-1	0	393.377	0.668	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cc1[N+](=O)[O-]	ZINC000276853139	1186122403	/nfs/dbraw/zinc/12/24/03/1186122403.db2.gz	DXRKXKYOJVBSOW-UHFFFAOYSA-N	-1	0	382.402	0.692	20	5		GCBDRM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000610846342	1186245050	/nfs/dbraw/zinc/24/50/50/1186245050.db2.gz	GNDNTTWQRVFECU-NSHDSACASA-N	-1	0	379.369	0.805	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000262410528	1186269729	/nfs/dbraw/zinc/26/97/29/1186269729.db2.gz	SKIROZCQUONZKL-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000262444183	1186295614	/nfs/dbraw/zinc/29/56/14/1186295614.db2.gz	GMEZFKJMSDSFOF-NSHDSACASA-N	-1	0	379.369	0.853	20	5		GCBDRM
O=C([O-])[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCOC1	ZINC000548536640	1186307356	/nfs/dbraw/zinc/30/73/56/1186307356.db2.gz	MJCFODCLUIUQIF-AMIZOPFISA-N	-1	0	388.354	0.134	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1	ZINC000548536643	1186307506	/nfs/dbraw/zinc/30/75/06/1186307506.db2.gz	MJCFODCLUIUQIF-SDBXPKJASA-N	-1	0	388.354	0.134	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCOC1	ZINC000548536642	1186307703	/nfs/dbraw/zinc/30/77/03/1186307703.db2.gz	MJCFODCLUIUQIF-OQPBUACISA-N	-1	0	388.354	0.134	20	5		GCBDRM
CCOC(=O)c1cc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000548544594	1186309352	/nfs/dbraw/zinc/30/93/52/1186309352.db2.gz	HOBOGNZMAJDXRY-NSHDSACASA-N	-1	0	390.370	0.458	20	5		GCBDRM
C[C@H](CN(C)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277261189	1186309745	/nfs/dbraw/zinc/30/97/45/1186309745.db2.gz	NFJBAXXYNTUWRP-SECBINFHSA-N	-1	0	387.370	0.893	20	5		GCBDRM
Cn1cc(C[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000548555132	1186314794	/nfs/dbraw/zinc/31/47/94/1186314794.db2.gz	WQUQSOYWSSHAHH-CYBMUJFWSA-N	-1	0	382.398	0.691	20	5		GCBDRM
O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1	ZINC000277376314	1186353838	/nfs/dbraw/zinc/35/38/38/1186353838.db2.gz	ZWFIZNOSDLTTSQ-VHSXEESVSA-N	-1	0	397.365	0.859	20	5		GCBDRM
C[C@H](CN(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nnn[n-]1	ZINC000478589781	1186522553	/nfs/dbraw/zinc/52/25/53/1186522553.db2.gz	FJSSAUHEPQHQNS-MRVPVSSYSA-N	-1	0	381.780	0.753	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1=O	ZINC000479008534	1186548247	/nfs/dbraw/zinc/54/82/47/1186548247.db2.gz	XBQPDKCUIJHJSC-DOMZBBRYSA-N	-1	0	378.385	0.833	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1=O	ZINC000478979738	1186548946	/nfs/dbraw/zinc/54/89/46/1186548946.db2.gz	ADXBNYWIHGYFDV-HIFRSBDPSA-N	-1	0	379.369	0.800	20	5		GCBDRM
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000785207971	1187264300	/nfs/dbraw/zinc/26/43/00/1187264300.db2.gz	IGUVFAHZDXYULC-UHFFFAOYSA-N	-1	0	385.406	0.161	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)ccc1[N+](=O)[O-]	ZINC000579959155	1187652405	/nfs/dbraw/zinc/65/24/05/1187652405.db2.gz	GNWOPZQDYMCYNZ-AAEUAGOBSA-N	-1	0	383.382	0.725	20	5		GCBDRM
CO[C@H]1COCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000414337353	1187837647	/nfs/dbraw/zinc/83/76/47/1187837647.db2.gz	XHSZIQKQYVBJIY-GWCFXTLKSA-N	-1	0	388.398	0.931	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CNC(=O)C2)C1	ZINC000378199113	1189440692	/nfs/dbraw/zinc/44/06/92/1189440692.db2.gz	DFJBIIJQWKZWMP-HNNXBMFYSA-N	-1	0	383.382	0.502	20	5		GCBDRM
COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1	ZINC000416449418	1189520970	/nfs/dbraw/zinc/52/09/70/1189520970.db2.gz	VPHCNDJXCBZFGX-JOYOIKCWSA-N	-1	0	380.357	0.898	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)ccc1[N+](=O)[O-]	ZINC000417445887	1189665749	/nfs/dbraw/zinc/66/57/49/1189665749.db2.gz	ISFCLOMYRTXLOO-JSGCOSHPSA-N	-1	0	399.425	0.892	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000417445248	1189665755	/nfs/dbraw/zinc/66/57/55/1189665755.db2.gz	GHTLUWVDUHYNHF-OCCSQVGLSA-N	-1	0	399.425	0.724	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417447269	1189667011	/nfs/dbraw/zinc/66/70/11/1189667011.db2.gz	OWASWBLVAZEATM-JSGCOSHPSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1[N+](=O)[O-]	ZINC000417448831	1189667070	/nfs/dbraw/zinc/66/70/70/1189667070.db2.gz	WOBLMAGVXMPQBP-JSGCOSHPSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417447271	1189667124	/nfs/dbraw/zinc/66/71/24/1189667124.db2.gz	OWASWBLVAZEATM-TZMCWYRMSA-N	-1	0	399.425	0.892	20	5		GCBDRM
CCOC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(=O)[O-]	ZINC000290765927	1189729110	/nfs/dbraw/zinc/72/91/10/1189729110.db2.gz	ZVOMLMIBGFMXFR-VIFPVBQESA-N	-1	0	391.358	0.888	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1	ZINC000759804633	1189744525	/nfs/dbraw/zinc/74/45/25/1189744525.db2.gz	ZFDFWZQNGPDSCK-UHFFFAOYSA-N	-1	0	395.349	0.888	20	5		GCBDRM
C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000511738561	1189838905	/nfs/dbraw/zinc/83/89/05/1189838905.db2.gz	QEBZIVHYCKMFPL-CYBMUJFWSA-N	-1	0	392.412	0.306	20	5		GCBDRM
O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000512662980	1193728313	/nfs/dbraw/zinc/72/83/13/1193728313.db2.gz	DMWDGQSEFJFTNI-GFCCVEGCSA-N	-1	0	387.414	0.519	20	5		GCBDRM
COC(=O)CCN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1=O	ZINC000501157713	1194070589	/nfs/dbraw/zinc/07/05/89/1194070589.db2.gz	YHXCSGKWEKLNQC-SNVBAGLBSA-N	-1	0	389.361	0.176	20	5		GCBDRM
COc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000420545078	1194234926	/nfs/dbraw/zinc/23/49/26/1194234926.db2.gz	RYEGNPWLOOIJKX-KPZWWZAWSA-N	-1	0	391.380	0.933	20	5		GCBDRM
COc1cc(CCNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC	ZINC000420532178	1194236843	/nfs/dbraw/zinc/23/68/43/1194236843.db2.gz	JUFYDCMHXZTELF-NSHDSACASA-N	-1	0	395.368	0.204	20	5		GCBDRM
Cc1ccc(NCCCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000420557028	1194240116	/nfs/dbraw/zinc/24/01/16/1194240116.db2.gz	LIJYKVROVQHPSJ-GFCCVEGCSA-N	-1	0	378.385	0.755	20	5		GCBDRM
Cc1c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000422583141	1194672133	/nfs/dbraw/zinc/67/21/33/1194672133.db2.gz	BTFHZHVPFRFTKU-WCBMZHEXSA-N	-1	0	385.398	0.733	20	5		GCBDRM
C[C@H](CN(C)C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)[O-]	ZINC000422688254	1194691277	/nfs/dbraw/zinc/69/12/77/1194691277.db2.gz	MHEVDNLBAZGNMI-SECBINFHSA-N	-1	0	381.341	0.874	20	5		GCBDRM
COc1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000422724036	1194694582	/nfs/dbraw/zinc/69/45/82/1194694582.db2.gz	UDYJORWQRFCOPV-CMPLNLGQSA-N	-1	0	379.369	0.789	20	5		GCBDRM
COc1ccc(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000422724038	1194694715	/nfs/dbraw/zinc/69/47/15/1194694715.db2.gz	UDYJORWQRFCOPV-PWSUYJOCSA-N	-1	0	379.369	0.789	20	5		GCBDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000422918953	1194710739	/nfs/dbraw/zinc/71/07/39/1194710739.db2.gz	JDMIZHBVYPSSJL-NWDGAFQWSA-N	-1	0	391.380	0.754	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1	ZINC000424394852	1194809501	/nfs/dbraw/zinc/80/95/01/1194809501.db2.gz	ULDQIBZVAYTFCI-JTQLQIEISA-N	-1	0	397.369	0.166	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000424389654	1194810459	/nfs/dbraw/zinc/81/04/59/1194810459.db2.gz	ITRVAMITICWEHV-JTQLQIEISA-N	-1	0	397.369	0.166	20	5		GCBDRM
Cc1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-]	ZINC000424389655	1194810552	/nfs/dbraw/zinc/81/05/52/1194810552.db2.gz	ITRVAMITICWEHV-SNVBAGLBSA-N	-1	0	397.369	0.166	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000424394938	1194810877	/nfs/dbraw/zinc/81/08/77/1194810877.db2.gz	USPWDKSIZMVNGL-SNVBAGLBSA-N	-1	0	397.369	0.166	20	5		GCBDRM
O=C([O-])[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCS1(=O)=O	ZINC000424471638	1194813814	/nfs/dbraw/zinc/81/38/14/1194813814.db2.gz	NVKXLKAPMRYYFH-CQSZACIVSA-N	-1	0	397.409	0.519	20	5		GCBDRM
CC(C)(CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(=O)[O-]	ZINC000424483184	1194815499	/nfs/dbraw/zinc/81/54/99/1194815499.db2.gz	POJJYRWEFOLXBZ-UHFFFAOYSA-N	-1	0	392.412	0.861	20	5		GCBDRM
CCC(CC)(CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)[O-]	ZINC000424494086	1194817696	/nfs/dbraw/zinc/81/76/96/1194817696.db2.gz	PESVSFJUWCWNGR-UHFFFAOYSA-N	-1	0	395.416	0.962	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](n3ccnn3)C2)c1	ZINC000424593809	1194826428	/nfs/dbraw/zinc/82/64/28/1194826428.db2.gz	DRSSDPGJSKGFMN-NSHDSACASA-N	-1	0	381.370	0.910	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCn1cc(C(=O)[O-])nn1	ZINC000514587999	1194885787	/nfs/dbraw/zinc/88/57/87/1194885787.db2.gz	LRQFKJDVYASTCT-UHFFFAOYSA-N	-1	0	383.386	0.952	20	5		GCBDRM
O=C([O-])[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1	ZINC000515203364	1194956956	/nfs/dbraw/zinc/95/69/56/1194956956.db2.gz	QALDJYQZHXZAMK-CABCVRRESA-N	-1	0	380.378	0.930	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000516186005	1195031508	/nfs/dbraw/zinc/03/15/08/1195031508.db2.gz	UNNDSJPPLFNSNC-MFKMUULPSA-N	-1	0	385.398	0.496	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000516186006	1195031593	/nfs/dbraw/zinc/03/15/93/1195031593.db2.gz	UNNDSJPPLFNSNC-ZWNOBZJWSA-N	-1	0	385.398	0.496	20	5		GCBDRM
CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436920016	1195047968	/nfs/dbraw/zinc/04/79/68/1195047968.db2.gz	FMLKNYSCJMOGJH-LBPRGKRZSA-N	-1	0	386.430	0.691	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1	ZINC000437350051	1195100087	/nfs/dbraw/zinc/10/00/87/1195100087.db2.gz	ZTRIWHIBLOOFGM-UHFFFAOYSA-N	-1	0	384.374	0.084	20	5		GCBDRM
CCC[C@@]1(C)C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000518543980	1195301740	/nfs/dbraw/zinc/30/17/40/1195301740.db2.gz	ZLNCXICAWAQAMG-HNNXBMFYSA-N	-1	0	385.398	0.972	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1	ZINC000509601709	1195330957	/nfs/dbraw/zinc/33/09/57/1195330957.db2.gz	LYLYYJYNBKXDOW-UHFFFAOYSA-N	-1	0	383.386	0.689	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(N)=O	ZINC000017817285	1195339305	/nfs/dbraw/zinc/33/93/05/1195339305.db2.gz	UTCSIZWFIIUOKV-SNVBAGLBSA-N	-1	0	392.393	0.999	20	5		GCBDRM
CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000507370545	1195514660	/nfs/dbraw/zinc/51/46/60/1195514660.db2.gz	JERPNMTVJOHIBU-GHMZBOCLSA-N	-1	0	385.398	0.637	20	5		GCBDRM
CC(C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000519604500	1195515113	/nfs/dbraw/zinc/51/51/13/1195515113.db2.gz	LGVJAXYPTXHLMO-UHFFFAOYSA-N	-1	0	385.398	0.539	20	5		GCBDRM
CNC(=O)C1CCC(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000519769353	1195568747	/nfs/dbraw/zinc/56/87/47/1195568747.db2.gz	YTXXVLSZLNBAOU-UHFFFAOYSA-N	-1	0	385.398	0.876	20	5		GCBDRM
Cc1cc(NC(=O)CN2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])CC2)no1	ZINC000280804848	1195733333	/nfs/dbraw/zinc/73/33/33/1195733333.db2.gz	QOPMEXWMDHOGIR-UHFFFAOYSA-N	-1	0	389.368	0.993	20	5		GCBDRM
O=c1nc(C2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH][nH]1	ZINC000281147122	1196278386	/nfs/dbraw/zinc/27/83/86/1196278386.db2.gz	ZNLBWQSESTZOMJ-UHFFFAOYSA-N	-1	0	381.414	0.660	20	5		GCBDRM
COCC[C@@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)[O-]	ZINC000281652713	1196318393	/nfs/dbraw/zinc/31/83/93/1196318393.db2.gz	IUJQVKMTHRKINQ-LLVKDONJSA-N	-1	0	390.352	0.669	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCCN1CCCOCC1	ZINC000445552686	1196578997	/nfs/dbraw/zinc/57/89/97/1196578997.db2.gz	KINSSUHPRCFIMG-UHFFFAOYSA-N	-1	0	387.414	0.602	20	5		GCBDRM
Nc1nc(NC2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)ncc1[N+](=O)[O-]	ZINC000445673388	1196586222	/nfs/dbraw/zinc/58/62/22/1196586222.db2.gz	OUGZQOYHKXAFGL-UHFFFAOYSA-N	-1	0	399.355	0.240	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCc1nc(=O)o[n-]1	ZINC000447638190	1196738227	/nfs/dbraw/zinc/73/82/27/1196738227.db2.gz	VWPVSUBSLAFNKX-QMMMGPOBSA-N	-1	0	399.385	0.075	20	5		GCBDRM
NC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1	ZINC000530474059	1196990287	/nfs/dbraw/zinc/99/02/87/1196990287.db2.gz	BQSGPUOXKNVHDS-ZDUSSCGKSA-N	-1	0	379.350	0.798	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2C)ccc1[N+](=O)[O-]	ZINC000530542259	1196994433	/nfs/dbraw/zinc/99/44/33/1196994433.db2.gz	YFMTUWSNDLZHHE-ZDUSSCGKSA-N	-1	0	384.370	0.750	20	5		GCBDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000263203818	1197542505	/nfs/dbraw/zinc/54/25/05/1197542505.db2.gz	MRFMYCJNYMEAGJ-NWDGAFQWSA-N	-1	0	399.425	0.927	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(Cc3nn[nH]n3)cc2)c([N+](=O)[O-])n1	ZINC000533787847	1197566309	/nfs/dbraw/zinc/56/63/09/1197566309.db2.gz	YGAFFCSLSFOUOC-UHFFFAOYSA-N	-1	0	378.374	0.716	20	5		GCBDRM
Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1	ZINC000543447447	1199752319	/nfs/dbraw/zinc/75/23/19/1199752319.db2.gz	JDBMYJMHEXVBOW-UHFFFAOYSA-N	-1	0	390.381	0.920	20	5		GCBDRM
O=c1n(CCC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nc2n1CCCC2	ZINC000123730861	1199799598	/nfs/dbraw/zinc/79/95/98/1199799598.db2.gz	RCDHCUVEVORTOU-UHFFFAOYSA-N	-1	0	399.404	0.797	20	5		GCBDRM
COC(=O)[C@@](C)([N-]S(=O)(=O)c1c(C)onc1N)c1cccc([N+](=O)[O-])c1	ZINC000599486534	1201078671	/nfs/dbraw/zinc/07/86/71/1201078671.db2.gz	KATWNIKQYXVJHA-AWEZNQCLSA-N	-1	0	384.370	0.840	20	5		GCBDRM
COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000729886418	1201417549	/nfs/dbraw/zinc/41/75/49/1201417549.db2.gz	FYKLLKWTWFXKAN-UHFFFAOYSA-N	-1	0	389.386	0.887	20	5		GCBDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732504608	1201547026	/nfs/dbraw/zinc/54/70/26/1201547026.db2.gz	YDCSIGGTZIAWMJ-JTQLQIEISA-N	-1	0	388.402	0.494	20	5		GCBDRM
O=C(CN1C(=O)COc2ccccc21)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732620067	1201550916	/nfs/dbraw/zinc/55/09/16/1201550916.db2.gz	GGFWASYDGLHAHF-UHFFFAOYSA-N	-1	0	397.390	0.887	20	5		GCBDRM
CC(C)(C)CS(=O)(=O)[N-]C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000733058224	1201574413	/nfs/dbraw/zinc/57/44/13/1201574413.db2.gz	DSJPYUAVWWRGMJ-UHFFFAOYSA-N	-1	0	383.382	0.683	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)c([N+](=O)[O-])c1	ZINC000733678030	1201602778	/nfs/dbraw/zinc/60/27/78/1201602778.db2.gz	YFMMIZDBGVGZJW-UHFFFAOYSA-N	-1	0	377.338	0.765	20	5		GCBDRM
Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000733720379	1201604926	/nfs/dbraw/zinc/60/49/26/1201604926.db2.gz	FIZXGNHNYSTDFC-GFCCVEGCSA-N	-1	0	381.370	0.332	20	5		GCBDRM
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccccn1	ZINC000734967506	1201666796	/nfs/dbraw/zinc/66/67/96/1201666796.db2.gz	HBBVHKBNRSQSDP-UHFFFAOYSA-N	-1	0	378.366	0.615	20	5		GCBDRM
NC(=O)c1ccc(SCC(=O)[N-]S(=O)(=O)c2ccccn2)c([N+](=O)[O-])c1	ZINC000734968912	1201667057	/nfs/dbraw/zinc/66/70/57/1201667057.db2.gz	OQNXLAOUVPKTMU-UHFFFAOYSA-N	-1	0	396.406	0.686	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1	ZINC000735778341	1201700736	/nfs/dbraw/zinc/70/07/36/1201700736.db2.gz	AHNFNSHIUWDQEU-UHFFFAOYSA-N	-1	0	395.332	0.016	20	5		GCBDRM
Cc1ccc(NCCCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c([N+](=O)[O-])c1	ZINC000739654235	1201741887	/nfs/dbraw/zinc/74/18/87/1201741887.db2.gz	KLAIIMLTGLODLB-UHFFFAOYSA-N	-1	0	385.384	0.906	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccn2c(=O)[nH]nc12	ZINC000766273642	1201781699	/nfs/dbraw/zinc/78/16/99/1201781699.db2.gz	CNCUGARKOMRXBI-UHFFFAOYSA-N	-1	0	381.301	0.601	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cn1	ZINC000749217353	1201792804	/nfs/dbraw/zinc/79/28/04/1201792804.db2.gz	LDSPWRSJYOWSQG-UHFFFAOYSA-N	-1	0	384.370	0.947	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1	ZINC000744256972	1201838892	/nfs/dbraw/zinc/83/88/92/1201838892.db2.gz	MABFVKYJLXRYFB-UHFFFAOYSA-N	-1	0	394.344	0.621	20	5		GCBDRM
CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000745491003	1201878223	/nfs/dbraw/zinc/87/82/23/1201878223.db2.gz	CUIFWBPSQZRFGT-UHFFFAOYSA-N	-1	0	386.430	0.645	20	5		GCBDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1Cl	ZINC000746435362	1201922285	/nfs/dbraw/zinc/92/22/85/1201922285.db2.gz	UHCBUMVTYIYZNG-UHFFFAOYSA-N	-1	0	398.788	0.837	20	5		GCBDRM
CC(C)CN1N=C(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCC1=O	ZINC000766873867	1201958934	/nfs/dbraw/zinc/95/89/34/1201958934.db2.gz	SWBPMILYSBPYOA-UHFFFAOYSA-N	-1	0	383.386	0.429	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1cccnc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000766900122	1201960048	/nfs/dbraw/zinc/96/00/48/1201960048.db2.gz	CTOUTXRXKCORBE-UHFFFAOYSA-N	-1	0	388.365	0.830	20	5		GCBDRM
C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2[N+](=O)[O-])C1	ZINC000766909176	1201960778	/nfs/dbraw/zinc/96/07/78/1201960778.db2.gz	HNCYHXJBEKHOEO-PHIMTYICSA-N	-1	0	398.441	0.622	20	5		GCBDRM
NC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	ZINC000766923692	1201961099	/nfs/dbraw/zinc/96/10/99/1201961099.db2.gz	QGPKMRMZRNITJH-UHFFFAOYSA-N	-1	0	392.393	0.752	20	5		GCBDRM
COCCCCS(=O)(=O)[N-]C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000766977153	1201964035	/nfs/dbraw/zinc/96/40/35/1201964035.db2.gz	SCGAUZBLRPTCTI-UHFFFAOYSA-N	-1	0	399.381	0.063	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000768216084	1202007813	/nfs/dbraw/zinc/00/78/13/1202007813.db2.gz	JBAOQXSFGGWIAI-UHFFFAOYSA-N	-1	0	398.397	0.503	20	5		GCBDRM
COC(=O)c1[nH]c(C)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1C	ZINC000768801288	1202032887	/nfs/dbraw/zinc/03/28/87/1202032887.db2.gz	XZBISLQCFHQTMU-UHFFFAOYSA-N	-1	0	382.354	0.840	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc2n[nH]c(=O)n2c1	ZINC000770107669	1202083957	/nfs/dbraw/zinc/08/39/57/1202083957.db2.gz	DSWHSPHGLHFTBH-UHFFFAOYSA-N	-1	0	381.301	0.601	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3n[nH]c(=O)n3c2)ccc1[N+](=O)[O-]	ZINC000770131978	1202087267	/nfs/dbraw/zinc/08/72/67/1202087267.db2.gz	ISJMUZDHPMMLLT-UHFFFAOYSA-N	-1	0	377.338	0.770	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000788176767	1205415048	/nfs/dbraw/zinc/41/50/48/1205415048.db2.gz	SSSZGUIHCULAPQ-UHFFFAOYSA-N	-1	0	398.441	0.393	20	5		GCBDRM
Cc1c([C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cnn1C	ZINC000788693208	1205427843	/nfs/dbraw/zinc/42/78/43/1205427843.db2.gz	HYBRIWFZSIBUBU-CQSZACIVSA-N	-1	0	382.398	0.925	20	5		GCBDRM
COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cn2C)c1	ZINC000789572139	1205442686	/nfs/dbraw/zinc/44/26/86/1205442686.db2.gz	SAWMAWMXEUBWGP-UHFFFAOYSA-N	-1	0	381.366	0.980	20	5		GCBDRM
CC(C)[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000790612527	1205467865	/nfs/dbraw/zinc/46/78/65/1205467865.db2.gz	QCBLEYQRTWZQFT-LBPRGKRZSA-N	-1	0	387.370	0.939	20	5		GCBDRM
CC[C@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000790616515	1205468155	/nfs/dbraw/zinc/46/81/55/1205468155.db2.gz	MCMSFKMPMYZWNS-SECBINFHSA-N	-1	0	387.370	0.941	20	5		GCBDRM
O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1	ZINC000790625918	1205468307	/nfs/dbraw/zinc/46/83/07/1205468307.db2.gz	XPPBATCMPACFIF-UHFFFAOYSA-N	-1	0	385.354	0.789	20	5		GCBDRM
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)c1ncccc1F	ZINC000791948124	1205482142	/nfs/dbraw/zinc/48/21/42/1205482142.db2.gz	WMMLEHXQTAHNNI-UHFFFAOYSA-N	-1	0	379.329	0.984	20	5		GCBDRM
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)Cc1ccccn1	ZINC000793320567	1205498040	/nfs/dbraw/zinc/49/80/40/1205498040.db2.gz	KZABTUHXINZPPZ-UHFFFAOYSA-N	-1	0	378.366	0.366	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnn(CCF)c1	ZINC000808984454	1205615849	/nfs/dbraw/zinc/61/58/49/1205615849.db2.gz	ICQDFZPNZXGVLV-UHFFFAOYSA-N	-1	0	387.305	0.788	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000809032661	1205616835	/nfs/dbraw/zinc/61/68/35/1205616835.db2.gz	HZBZAKQRJKNEGH-UHFFFAOYSA-N	-1	0	390.381	0.941	20	5		GCBDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000809033183	1205616869	/nfs/dbraw/zinc/61/68/69/1205616869.db2.gz	FGECFXNQJIUBHD-UHFFFAOYSA-N	-1	0	397.369	0.983	20	5		GCBDRM
CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cn(C)nc2C)cc([N+](=O)[O-])c1	ZINC000809037881	1205617952	/nfs/dbraw/zinc/61/79/52/1205617952.db2.gz	LBQDVOAGJWOAAE-UHFFFAOYSA-N	-1	0	396.381	0.932	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCc2nnn(C)c2C1	ZINC000810535784	1205639319	/nfs/dbraw/zinc/63/93/19/1205639319.db2.gz	LOXWTWNJCWTEHA-JTQLQIEISA-N	-1	0	379.398	0.642	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cn(C2CCOCC2)nn1	ZINC000810537901	1205640035	/nfs/dbraw/zinc/64/00/35/1205640035.db2.gz	LUWVIIJVTRQRRU-UHFFFAOYSA-N	-1	0	399.360	0.796	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(C3CCOCC3)nn2)ccc1[N+](=O)[O-]	ZINC000810588004	1205640335	/nfs/dbraw/zinc/64/03/35/1205640335.db2.gz	LJXLJLSJQMARRO-UHFFFAOYSA-N	-1	0	395.397	0.965	20	5		GCBDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1	ZINC000811154323	1205648048	/nfs/dbraw/zinc/64/80/48/1205648048.db2.gz	YONKCWMNXGFIMZ-UHFFFAOYSA-N	-1	0	381.370	0.414	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000811566430	1205653339	/nfs/dbraw/zinc/65/33/39/1205653339.db2.gz	VXAVORJMTRDMRM-UHFFFAOYSA-N	-1	0	381.352	0.820	20	5		GCBDRM
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1	ZINC000813950441	1205683525	/nfs/dbraw/zinc/68/35/25/1205683525.db2.gz	QKBLGODFKMUOGT-UHFFFAOYSA-N	-1	0	398.441	0.857	20	5		GCBDRM
O=C(NC[C@]12COCCN1C(=O)COC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001171793060	1205709998	/nfs/dbraw/zinc/70/99/98/1205709998.db2.gz	IPWBDRHNRAHQSL-OAHLLOKOSA-N	-1	0	385.760	0.311	20	5		GCBDRM
O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]CCS(=O)(=O)Cc1ccccc1	ZINC001185936012	1205932432	/nfs/dbraw/zinc/93/24/32/1205932432.db2.gz	NIWJRHNRSAESBF-UHFFFAOYSA-N	-1	0	385.423	0.883	20	5		GCBDRM
COCCC(=O)N1CCC(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC001188125999	1205976126	/nfs/dbraw/zinc/97/61/26/1205976126.db2.gz	NUYVFGXRENJREG-UHFFFAOYSA-N	-1	0	387.414	0.606	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1	ZINC000262819629	939074942	/nfs/dbraw/zinc/07/49/42/939074942.db2.gz	PKNWARIXYFDUJP-LKFCYVNXSA-N	-1	0	399.787	0.974	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1	ZINC000262856737	939079843	/nfs/dbraw/zinc/07/98/43/939079843.db2.gz	SXKCNXRFONTJNS-BXUZGUMPSA-N	-1	0	375.341	0.785	20	5		GCBDRM
O=C([O-])[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CCCOC1	ZINC000262861453	939080951	/nfs/dbraw/zinc/08/09/51/939080951.db2.gz	UEQZHJZNUBFCPQ-IINYFYTJSA-N	-1	0	375.341	0.785	20	5		GCBDRM
Cc1cc(=O)c(C(=O)N[C@]2(C(=O)[O-])CCOC2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000271887471	939115760	/nfs/dbraw/zinc/11/57/60/939115760.db2.gz	FTHYFVHNOBELGC-QGZVFWFLSA-N	-1	0	388.336	0.423	20	5		GCBDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000825996334	939218036	/nfs/dbraw/zinc/21/80/36/939218036.db2.gz	ZOBAHXBATZFFHF-OTYXRUKQSA-N	-1	0	398.331	0.916	20	5		GCBDRM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000592469523	939801411	/nfs/dbraw/zinc/80/14/11/939801411.db2.gz	SXUPFEXYEMGGRV-NOZJJQNGSA-N	-1	0	375.341	0.389	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccnn2C)ccc1[N+](=O)[O-]	ZINC000592468480	939801499	/nfs/dbraw/zinc/80/14/99/939801499.db2.gz	KAEVFQAKUVGVLR-AWEZNQCLSA-N	-1	0	375.341	0.309	20	5		GCBDRM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000597161776	939803094	/nfs/dbraw/zinc/80/30/94/939803094.db2.gz	OHMXOGUXAZLRTE-QMTHXVAHSA-N	-1	0	379.369	0.709	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CCO1	ZINC001601845431	971073427	/nfs/dbraw/zinc/07/34/27/971073427.db2.gz	LYNFXRJYUORPLQ-LBPRGKRZSA-N	-1	0	377.309	0.174	20	5		GCBDRM
CC(C)[C@H](O)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000824201010	946617297	/nfs/dbraw/zinc/61/72/97/946617297.db2.gz	WHYPUNAGJKTQFX-ZDUSSCGKSA-N	-1	0	396.429	0.850	20	5		GCBDRM
CCC1(CO)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000825171556	947110785	/nfs/dbraw/zinc/11/07/85/947110785.db2.gz	RPVDEBQGDUMDKX-UHFFFAOYSA-N	-1	0	396.429	0.948	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826450662	948318026	/nfs/dbraw/zinc/31/80/26/948318026.db2.gz	XVJYPQLCYOQGGR-UHFFFAOYSA-N	-1	0	381.305	0.361	20	5		GCBDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263131612	950285426	/nfs/dbraw/zinc/28/54/26/950285426.db2.gz	CYAZNPBAZOFQAS-RYUDHWBXSA-N	-1	0	399.425	0.832	20	5		GCBDRM
O=C([O-])CN1CCCC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O	ZINC001595089151	951756170	/nfs/dbraw/zinc/75/61/70/951756170.db2.gz	AFEJHVGTZKHVID-ZDUSSCGKSA-N	-1	0	389.368	0.526	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O	ZINC001595093189	951798279	/nfs/dbraw/zinc/79/82/79/951798279.db2.gz	GSVBBIUTSAHLHP-LLVKDONJSA-N	-1	0	393.352	0.562	20	5		GCBDRM
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2	ZINC001595192596	952291857	/nfs/dbraw/zinc/29/18/57/952291857.db2.gz	RNBDZGFBQAWMOD-SDBXPKJASA-N	-1	0	376.774	0.970	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C(=O)C(=O)[O-])CC1	ZINC000566681106	953627643	/nfs/dbraw/zinc/62/76/43/953627643.db2.gz	CUFUHJDYPMSKEY-UHFFFAOYSA-N	-1	0	380.357	0.161	20	5		GCBDRM
CNC(=O)c1ccc(N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c([N+](=O)[O-])c1	ZINC000593329059	953751069	/nfs/dbraw/zinc/75/10/69/953751069.db2.gz	VDMGVVMPJRVOPN-GFCCVEGCSA-N	-1	0	390.396	0.856	20	5		GCBDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000593920904	953756768	/nfs/dbraw/zinc/75/67/68/953756768.db2.gz	IKYDIALMIOKYSF-ZWNOBZJWSA-N	-1	0	385.398	0.679	20	5		GCBDRM
Nc1c(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cccc1[N+](=O)[O-]	ZINC000593920881	953757246	/nfs/dbraw/zinc/75/72/46/953757246.db2.gz	HJAHTMUWNYNSGG-SNVBAGLBSA-N	-1	0	376.369	0.715	20	5		GCBDRM
O=C([O-])C(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1	ZINC001594827028	953944672	/nfs/dbraw/zinc/94/46/72/953944672.db2.gz	VESPKSLLFNRZQT-UHFFFAOYSA-N	-1	0	375.259	0.983	20	5		GCBDRM
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001593750825	954406640	/nfs/dbraw/zinc/40/66/40/954406640.db2.gz	IMUGCOVBBXNLLG-CHWSQXEVSA-N	-1	0	385.398	0.442	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc(N[C@H]3C[C@@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)CC1	ZINC001593784628	954687227	/nfs/dbraw/zinc/68/72/27/954687227.db2.gz	NBTVQNNELOKJAJ-TXEJJXNPSA-N	-1	0	398.441	0.806	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	ZINC001594960000	955005478	/nfs/dbraw/zinc/00/54/78/955005478.db2.gz	MEYVOIFJCSLPSB-SNVBAGLBSA-N	-1	0	396.299	0.937	20	5		GCBDRM
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC001593843138	955381463	/nfs/dbraw/zinc/38/14/63/955381463.db2.gz	HKXCHWJFLPUWNU-UHFFFAOYSA-N	-1	0	380.762	0.887	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1	ZINC001593966038	956538463	/nfs/dbraw/zinc/53/84/63/956538463.db2.gz	UOCBLMZYWHHRGU-SFHVURJKSA-N	-1	0	393.396	0.995	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1	ZINC001593981978	956718477	/nfs/dbraw/zinc/71/84/77/956718477.db2.gz	DOGNAIJQILGMPG-PBHICJAKSA-N	-1	0	379.369	0.502	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CCO1	ZINC001593983925	956739636	/nfs/dbraw/zinc/73/96/36/956739636.db2.gz	MCPGWUDJAUCOAB-HNNXBMFYSA-N	-1	0	388.398	0.702	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1	ZINC001593985066	956762657	/nfs/dbraw/zinc/76/26/57/956762657.db2.gz	VGCGINBYYQLGBN-OAHLLOKOSA-N	-1	0	388.398	0.269	20	5		GCBDRM
CON(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC001594036638	957818603	/nfs/dbraw/zinc/81/86/03/957818603.db2.gz	RTZMWIXDOGQBSA-SECBINFHSA-N	-1	0	375.359	0.078	20	5		GCBDRM
Cc1cc(OCC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)ccc1[N+](=O)[O-]	ZINC001594328172	958190672	/nfs/dbraw/zinc/19/06/72/958190672.db2.gz	IKCVWIURRCUEQQ-ZDUSSCGKSA-N	-1	0	379.369	0.864	20	5		GCBDRM
O=C([O-])C1(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCOCC1	ZINC001605741371	972380635	/nfs/dbraw/zinc/38/06/35/972380635.db2.gz	NORPDHOMJKEYJG-UHFFFAOYSA-N	-1	0	379.369	0.795	20	5		GCBDRM
Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC001574321593	960822899	/nfs/dbraw/zinc/82/28/99/960822899.db2.gz	AYLJQYWTLFLMJU-LBPRGKRZSA-N	-1	0	399.425	0.956	20	5		GCBDRM
COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC001329655173	961287366	/nfs/dbraw/zinc/28/73/66/961287366.db2.gz	DIKTYIHIIITJNE-KRWDZBQOSA-N	-1	0	379.369	0.605	20	5		GCBDRM
O=C([O-])[C@]1(N2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCOC1	ZINC001329657090	961290321	/nfs/dbraw/zinc/29/03/21/961290321.db2.gz	OCCZDVKIGFGDPA-SFHVURJKSA-N	-1	0	377.397	0.915	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000262467274	961738157	/nfs/dbraw/zinc/73/81/57/961738157.db2.gz	WJYGYWXMXSRTIM-SCLBCKFNSA-N	-1	0	391.380	0.583	20	5		GCBDRM
O=C([O-])CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000262732759	961836469	/nfs/dbraw/zinc/83/64/69/961836469.db2.gz	DQJLIZMSPQDGJV-LBPRGKRZSA-N	-1	0	399.425	0.977	20	5		GCBDRM
O=C([O-])[C@]1(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOC1	ZINC001335363976	961912723	/nfs/dbraw/zinc/91/27/23/961912723.db2.gz	MHOMINQRNBUOQV-HNNXBMFYSA-N	-1	0	385.398	0.145	20	5		GCBDRM
O=C([O-])C1CCN(S(=O)(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1	ZINC001574656808	962470109	/nfs/dbraw/zinc/47/01/09/962470109.db2.gz	OTSKDLWAPFSEGB-UHFFFAOYSA-N	-1	0	387.418	0.470	20	5		GCBDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC001574670192	962549119	/nfs/dbraw/zinc/54/91/19/962549119.db2.gz	ZFAQQYIMPNRONE-VIFPVBQESA-N	-1	0	394.308	0.520	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1	ZINC001574143730	962603843	/nfs/dbraw/zinc/60/38/43/962603843.db2.gz	WGCSHMACXDZARR-CYBMUJFWSA-N	-1	0	378.334	0.225	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1	ZINC001574146796	962623058	/nfs/dbraw/zinc/62/30/58/962623058.db2.gz	OVLJQFVVLWIHPS-HNNXBMFYSA-N	-1	0	387.776	0.989	20	5		GCBDRM
C[C@@](CO)(NC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)[O-]	ZINC000313522487	963658434	/nfs/dbraw/zinc/65/84/34/963658434.db2.gz	OKXOLJKPKZKNDW-NSHDSACASA-N	-1	0	394.121	0.765	20	5		GCBDRM
O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000368988572	968059690	/nfs/dbraw/zinc/05/96/90/968059690.db2.gz	ACJDKJJVZQWWHB-DZGCQCFKSA-N	-1	0	387.352	0.334	20	5		GCBDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000422595865	968349217	/nfs/dbraw/zinc/34/92/17/968349217.db2.gz	QZEGUQUKVOGAHQ-NWDGAFQWSA-N	-1	0	399.425	0.832	20	5		GCBDRM
C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000427675857	968370409	/nfs/dbraw/zinc/37/04/09/968370409.db2.gz	BDYPIAXKOJNPPO-NWDGAFQWSA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC000567879233	968436818	/nfs/dbraw/zinc/43/68/18/968436818.db2.gz	OBBAOOHIBFWDPD-RISCZKNCSA-N	-1	0	378.385	0.963	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1	ZINC000591744483	968486491	/nfs/dbraw/zinc/48/64/91/968486491.db2.gz	CGQGCTFZHJFANK-CQSZACIVSA-N	-1	0	392.361	0.854	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@H](CC(=O)[O-])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000610892050	968508161	/nfs/dbraw/zinc/50/81/61/968508161.db2.gz	NGKVOCOFMLITBO-LBPRGKRZSA-N	-1	0	399.425	0.929	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1Cl	ZINC001605224222	972974543	/nfs/dbraw/zinc/97/45/43/972974543.db2.gz	AGHDBTOYKKKLKS-NSHDSACASA-N	-1	0	376.774	0.880	20	5		GCBDRM
O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1	ZINC001606108220	973303095	/nfs/dbraw/zinc/30/30/95/973303095.db2.gz	QEHPXPKQNYLPCC-JSGCOSHPSA-N	-1	0	378.385	0.908	20	5		GCBDRM
O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1	ZINC001606108219	973303144	/nfs/dbraw/zinc/30/31/44/973303144.db2.gz	QEHPXPKQNYLPCC-GXTWGEPZSA-N	-1	0	378.385	0.908	20	5		GCBDRM
O=C([O-])CN1CCC[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O	ZINC001606252016	973560083	/nfs/dbraw/zinc/56/00/83/973560083.db2.gz	VFDHHIPTPWCODM-ZDUSSCGKSA-N	-1	0	390.396	0.567	20	5		GCBDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1=O	ZINC001606257683	973604861	/nfs/dbraw/zinc/60/48/61/973604861.db2.gz	OLNIENRQEBBIPD-GFCCVEGCSA-N	-1	0	383.332	0.695	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1	ZINC001604564197	973622360	/nfs/dbraw/zinc/62/23/60/973622360.db2.gz	HLGQIZCNSVNFQO-CYBMUJFWSA-N	-1	0	378.334	0.225	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CCO1	ZINC001604565269	973630636	/nfs/dbraw/zinc/63/06/36/973630636.db2.gz	SLTKKZUJNBHQND-CQSZACIVSA-N	-1	0	392.361	0.533	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-]	ZINC001604762791	973979866	/nfs/dbraw/zinc/97/98/66/973979866.db2.gz	RYEZECFWDHCSCX-ZYHUDNBSSA-N	-1	0	379.369	0.902	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1c1ccc(F)cc1F	ZINC000425255364	974041694	/nfs/dbraw/zinc/04/16/94/974041694.db2.gz	MSAMAMBFUJKRNC-WDEREUQCSA-N	-1	0	381.295	0.791	20	5		GCBDRM
O=C([O-])C1(CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1	ZINC001605698759	974121637	/nfs/dbraw/zinc/12/16/37/974121637.db2.gz	PJZHPNMDWNDMCG-UHFFFAOYSA-N	-1	0	399.787	0.976	20	5		GCBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1	ZINC000564215468	974545570	/nfs/dbraw/zinc/54/55/70/974545570.db2.gz	MMBFGHSYXGGOEE-SNVBAGLBSA-N	-1	0	387.418	0.679	20	5		GCBDRM
Cc1nn(CCC(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c(C)c1[N+](=O)[O-]	ZINC000565032934	974562749	/nfs/dbraw/zinc/56/27/49/974562749.db2.gz	NSDHYJQVVHABSG-LBPRGKRZSA-N	-1	0	391.388	0.952	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000565949231	974591617	/nfs/dbraw/zinc/59/16/17/974591617.db2.gz	MZIKUMABVNVCLI-BMIGLBTASA-N	-1	0	386.382	0.909	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cccnn2)CC1	ZINC000566180398	974597937	/nfs/dbraw/zinc/59/79/37/974597937.db2.gz	ILXHNXLYFZALEH-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-]	ZINC000566735136	974619800	/nfs/dbraw/zinc/61/98/00/974619800.db2.gz	ATPQSHCVBLGHAU-BONVTDFDSA-N	-1	0	386.382	0.909	20	5		GCBDRM
Cc1cc(N2CCCN(S(=O)(=O)N(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000571049630	974721548	/nfs/dbraw/zinc/72/15/48/974721548.db2.gz	LEQDVGVEOKYVDB-UHFFFAOYSA-N	-1	0	386.430	0.920	20	5		GCBDRM
O=C([O-])c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1	ZINC000572725185	974752267	/nfs/dbraw/zinc/75/22/67/974752267.db2.gz	BMTKKWLBXGWBDD-UHFFFAOYSA-N	-1	0	393.381	0.594	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000591652784	974971837	/nfs/dbraw/zinc/97/18/37/974971837.db2.gz	RFBLWCNYOPTPHN-MRXNPFEDSA-N	-1	0	375.341	0.881	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@]2(CCOC2)O1	ZINC000592141504	974973538	/nfs/dbraw/zinc/97/35/38/974973538.db2.gz	AGBSDOOIHFIAJU-MEBBXXQBSA-N	-1	0	386.382	0.862	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc([N+](=O)[O-])c1	ZINC000597159158	975000018	/nfs/dbraw/zinc/00/00/18/975000018.db2.gz	IDXBYMDPCNCJBD-ZDUSSCGKSA-N	-1	0	397.409	0.933	20	5		GCBDRM
C[C@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-]	ZINC000599939968	975002867	/nfs/dbraw/zinc/00/28/67/975002867.db2.gz	KGXTWHGIIBZCDR-SMDDNHRTSA-N	-1	0	379.369	0.659	20	5		GCBDRM
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000599938475	975003119	/nfs/dbraw/zinc/00/31/19/975003119.db2.gz	BKGIMIGWOPWAGF-GXFFZTMASA-N	-1	0	379.369	0.789	20	5		GCBDRM
O=C([O-])C12CCC(CC1)N2C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000600871009	975008742	/nfs/dbraw/zinc/00/87/42/975008742.db2.gz	AKSSVPOLSWPICK-UHFFFAOYSA-N	-1	0	375.337	0.928	20	5		GCBDRM
C[C@@H](CC(=O)[O-])CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC001592371487	977894803	/nfs/dbraw/zinc/89/48/03/977894803.db2.gz	ONZVIUOMGQUYFI-LLVKDONJSA-N	-1	0	387.414	0.832	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)c([N+](=O)[O-])c1	ZINC000776717559	978774640	/nfs/dbraw/zinc/77/46/40/978774640.db2.gz	XPHNLGPLFLGOMA-UHFFFAOYSA-N	-1	0	399.381	0.988	20	5		GCBDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC000794906401	978827413	/nfs/dbraw/zinc/82/74/13/978827413.db2.gz	JXAPHMPJFPIPMG-UHFFFAOYSA-N	-1	0	399.381	0.988	20	5		GCBDRM
Cc1nn(CCC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(C)c1[N+](=O)[O-]	ZINC000818317860	978913667	/nfs/dbraw/zinc/91/36/67/978913667.db2.gz	MZVAJCWGACLYMD-LLVKDONJSA-N	-1	0	377.361	0.562	20	5		GCBDRM
O=C([O-])[C@]12CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@H]1COCC2	ZINC000830058254	979012039	/nfs/dbraw/zinc/01/20/39/979012039.db2.gz	NLDZLDFFTXOYNJ-XJKSGUPXSA-N	-1	0	384.410	0.890	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000830062794	979012477	/nfs/dbraw/zinc/01/24/77/979012477.db2.gz	JBSIMRVMOVZPRI-ZUZCIYMTSA-N	-1	0	386.382	0.715	20	5		GCBDRM
C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)CN1CCOCC1	ZINC001592722263	979222673	/nfs/dbraw/zinc/22/26/73/979222673.db2.gz	FOUGQJFXBKAMPK-NSHDSACASA-N	-1	0	387.414	0.540	20	5		GCBDRM
COC(=O)[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C(=O)[O-])C1	ZINC000833709458	979226520	/nfs/dbraw/zinc/22/65/20/979226520.db2.gz	MFJRPFIYXJPWEW-QMTHXVAHSA-N	-1	0	390.352	0.809	20	5		GCBDRM
CC[C@@H](C)[C@@H](NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC001594894633	982324509	/nfs/dbraw/zinc/32/45/09/982324509.db2.gz	WNEMZPQTPRLTAP-IUODEOHRSA-N	-1	0	379.417	0.727	20	5		GCBDRM
CCN1C[C@H](S(=O)(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1=O	ZINC001596402255	983955414	/nfs/dbraw/zinc/95/54/14/983955414.db2.gz	LWFDXIQNMBCNFU-DOMZBBRYSA-N	-1	0	385.398	0.435	20	5		GCBDRM
CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001596574262	984472363	/nfs/dbraw/zinc/47/23/63/984472363.db2.gz	OIZMCIVOSWLICS-NSHDSACASA-N	-1	0	394.384	0.926	20	5		GCBDRM
C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C(=O)[O-])O1	ZINC001599912081	984998627	/nfs/dbraw/zinc/99/86/27/984998627.db2.gz	IBSBBGMNLFBGOR-AXFHLTTASA-N	-1	0	397.409	0.961	20	5		GCBDRM
C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@]1(C)C(=O)[O-]	ZINC001599916732	985067941	/nfs/dbraw/zinc/06/79/41/985067941.db2.gz	VSDGHGUPJBABKR-XYZCENFISA-N	-1	0	375.337	0.760	20	5		GCBDRM
CC(=O)N1CCCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001589075184	985227464	/nfs/dbraw/zinc/22/74/64/985227464.db2.gz	JIAJCTGOMQCALD-LLVKDONJSA-N	-1	0	378.385	0.856	20	5		GCBDRM
CC(=O)N[C@@H]1CCCN(C(=O)CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1	ZINC001589120481	985388484	/nfs/dbraw/zinc/38/84/84/985388484.db2.gz	ZZJZGYAKQCCDIL-KDOFPFPSSA-N	-1	0	392.412	0.611	20	5		GCBDRM
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1CCC(=O)[O-]	ZINC001594489798	985595059	/nfs/dbraw/zinc/59/50/59/985595059.db2.gz	SLOWYOSILSXIQU-NSHDSACASA-N	-1	0	379.369	0.987	20	5		GCBDRM
C[C@@H]1CN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@H](C)CO1	ZINC001594532263	986130229	/nfs/dbraw/zinc/13/02/29/986130229.db2.gz	VRLBJGZGMAQUQV-GHMZBOCLSA-N	-1	0	387.414	0.681	20	5		GCBDRM
CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1OC	ZINC001597045354	986508411	/nfs/dbraw/zinc/50/84/11/986508411.db2.gz	YJDXOGJQUBBFNO-NSHDSACASA-N	-1	0	395.368	0.808	20	5		GCBDRM
CCOc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC001597059482	986543813	/nfs/dbraw/zinc/54/38/13/986543813.db2.gz	DQYSBFYHVPBIQS-NSHDSACASA-N	-1	0	386.382	0.707	20	5		GCBDRM
CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1	ZINC001589628294	987527014	/nfs/dbraw/zinc/52/70/14/987527014.db2.gz	ARVMZCDPIMYAPD-UHFFFAOYSA-N	-1	0	399.425	0.619	20	5		GCBDRM
CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC001589628472	987528724	/nfs/dbraw/zinc/52/87/24/987528724.db2.gz	JBGPASLHRGYSMF-UHFFFAOYSA-N	-1	0	399.425	0.619	20	5		GCBDRM
C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1CC(=O)[O-]	ZINC001599853193	989046112	/nfs/dbraw/zinc/04/61/12/989046112.db2.gz	AHWDNAODYHLQLQ-NXEZZACHSA-N	-1	0	375.337	0.760	20	5		GCBDRM
C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H]1CC(=O)[O-]	ZINC001599853916	989058595	/nfs/dbraw/zinc/05/85/95/989058595.db2.gz	YOWQOIAPBQHKFN-DGCLKSJQSA-N	-1	0	378.385	0.963	20	5		GCBDRM
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001599877177	989434386	/nfs/dbraw/zinc/43/43/86/989434386.db2.gz	JQQFXJXHZULMGP-VXGBXAGGSA-N	-1	0	399.425	0.927	20	5		GCBDRM
CC(C)(CCC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)[N+](=O)[O-]	ZINC001590656369	990354193	/nfs/dbraw/zinc/35/41/93/990354193.db2.gz	QXUJLDDIZLPUAJ-LOIXOFCESA-N	-1	0	376.431	0.749	20	5		GCBDRM
CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC001598118844	990531010	/nfs/dbraw/zinc/53/10/10/990531010.db2.gz	KICMTJYCXWRUID-UHFFFAOYSA-N	-1	0	385.398	0.782	20	5		GCBDRM
CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001598118935	990531924	/nfs/dbraw/zinc/53/19/24/990531924.db2.gz	LUEHBPDOGBTAQM-SNVBAGLBSA-N	-1	0	389.411	0.445	20	5		GCBDRM
CC(C)(NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(=O)N1CCCC1	ZINC001590879775	990794668	/nfs/dbraw/zinc/79/46/68/990794668.db2.gz	MZZJCRKSBLASBV-UHFFFAOYSA-N	-1	0	385.398	0.972	20	5		GCBDRM
CN([C@@H]1CCN2CCO[C@H]1C2)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001598375312	991558932	/nfs/dbraw/zinc/55/89/32/991558932.db2.gz	TWUUSVUFJFPKFM-OCCSQVGLSA-N	-1	0	385.398	0.387	20	5		GCBDRM
CS(=O)(=O)N(CCn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O)Cc1ccccc1	ZINC001599754270	992031579	/nfs/dbraw/zinc/03/15/79/992031579.db2.gz	YHBVNIVHBOGMJE-UHFFFAOYSA-N	-1	0	395.393	0.917	20	5		GCBDRM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001599762966	992147231	/nfs/dbraw/zinc/14/72/31/992147231.db2.gz	PJWFVXXIPGIJDA-GXFFZTMASA-N	-1	0	376.774	0.866	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c([N+](=O)[O-])c1	ZINC001599768743	992215908	/nfs/dbraw/zinc/21/59/08/992215908.db2.gz	XUKHBYZCZMUWMG-WPRPVWTQSA-N	-1	0	378.309	0.694	20	5		GCBDRM
CN1C(=O)NC2(CCN(Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)CC2)C1=O	ZINC001598557392	993069594	/nfs/dbraw/zinc/06/95/94/993069594.db2.gz	ZFFDVULNGIVYCI-UHFFFAOYSA-N	-1	0	392.368	0.574	20	5		GCBDRM
CN1C[C@H](C(=O)[O-])N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1=O	ZINC001598565226	993135565	/nfs/dbraw/zinc/13/55/65/993135565.db2.gz	QYSBUAZGHZOKAJ-QGZVFWFLSA-N	-1	0	393.399	0.909	20	5		GCBDRM
CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O	ZINC001598566337	993149386	/nfs/dbraw/zinc/14/93/86/993149386.db2.gz	UYWAHTKQXNVYNB-VIFPVBQESA-N	-1	0	377.762	0.164	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001599612880	993978200	/nfs/dbraw/zinc/97/82/00/993978200.db2.gz	NTHXLSRGOBFIKP-LBPRGKRZSA-N	-1	0	381.366	0.973	20	5		GCBDRM
CN1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C(=O)[O-])C1	ZINC001598620309	993994911	/nfs/dbraw/zinc/99/49/11/993994911.db2.gz	WTZCUNONOCABOJ-LLVKDONJSA-N	-1	0	394.409	0.780	20	5		GCBDRM
CNC(=O)CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC001598638047	994272469	/nfs/dbraw/zinc/27/24/69/994272469.db2.gz	VHYZONPVFCEFLR-UHFFFAOYSA-N	-1	0	385.398	0.830	20	5		GCBDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC001598752032	995666773	/nfs/dbraw/zinc/66/67/73/995666773.db2.gz	BKACINUEWKBRHN-MFKMUULPSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC001598753751	995688497	/nfs/dbraw/zinc/68/84/97/995688497.db2.gz	VPRGPRWLDYVQNU-GXFFZTMASA-N	-1	0	395.368	0.880	20	5		GCBDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC001598757069	995732622	/nfs/dbraw/zinc/73/26/22/995732622.db2.gz	QCVGHLOSOAHKNU-WCBMZHEXSA-N	-1	0	390.345	0.761	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC001598771257	995885732	/nfs/dbraw/zinc/88/57/32/995885732.db2.gz	RZECKNGLOGPNCY-PSASIEDQSA-N	-1	0	380.309	0.802	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	ZINC001598773855	995909593	/nfs/dbraw/zinc/90/95/93/995909593.db2.gz	JKRRMGLIVDLJEG-BXUZGUMPSA-N	-1	0	379.369	0.896	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC001598778632	995958178	/nfs/dbraw/zinc/95/81/78/995958178.db2.gz	OVHULGDSCVWMPR-AAEUAGOBSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC001598780313	995976725	/nfs/dbraw/zinc/97/67/25/995976725.db2.gz	JJULZSZWCRUTIW-ZYHUDNBSSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC001598783805	996011048	/nfs/dbraw/zinc/01/10/48/996011048.db2.gz	GWIIKRWFGMVAIT-ZYHUDNBSSA-N	-1	0	386.382	0.930	20	5		GCBDRM
COC(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1	ZINC001598799872	996130810	/nfs/dbraw/zinc/13/08/10/996130810.db2.gz	PSVQQXUIQMYMBL-ZWNOBZJWSA-N	-1	0	386.382	0.763	20	5		GCBDRM
COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C(=O)[O-]	ZINC001598825712	996380178	/nfs/dbraw/zinc/38/01/78/996380178.db2.gz	KVWSQEYEMFXEET-MNOVXSKESA-N	-1	0	386.382	0.706	20	5		GCBDRM
COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC001598827035	996394025	/nfs/dbraw/zinc/39/40/25/996394025.db2.gz	OZCWOQPUYPCASG-GHMZBOCLSA-N	-1	0	386.382	0.706	20	5		GCBDRM
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC001599401119	997215940	/nfs/dbraw/zinc/21/59/40/997215940.db2.gz	XQYNTQBTFFDYEV-YPMHNXCESA-N	-1	0	396.352	0.885	20	5		GCBDRM
COc1cc(CCNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC	ZINC001599404505	997272724	/nfs/dbraw/zinc/27/27/24/997272724.db2.gz	QZCYLLQVEAKQNV-PHIMTYICSA-N	-1	0	388.398	0.937	20	5		GCBDRM
COCCCNC(=O)[C@H](C)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001599225459	997750548	/nfs/dbraw/zinc/75/05/48/997750548.db2.gz	JYJLMUZJQIHLLX-LBPRGKRZSA-N	-1	0	395.416	0.351	20	5		GCBDRM
COC[C@@H](CS(=O)(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)OC	ZINC001599167030	998558140	/nfs/dbraw/zinc/55/81/40/998558140.db2.gz	USFUHWZTPXMDFR-GXTWGEPZSA-N	-1	0	376.387	0.475	20	5		GCBDRM
COC(=O)c1ccccc1N(C)C(=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC001599003636	998840217	/nfs/dbraw/zinc/84/02/17/998840217.db2.gz	VMWHMARLEALEIQ-UHFFFAOYSA-N	-1	0	389.320	0.904	20	5		GCBDRM
COC(=O)c1ccccc1N(C)C(=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC001599003684	998840704	/nfs/dbraw/zinc/84/07/04/998840704.db2.gz	YPKFDDXXNYATJT-UHFFFAOYSA-N	-1	0	389.320	0.904	20	5		GCBDRM
C[C@@H]1CCCN(c2ccc(C(=O)NCC(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001594389957	999478087	/nfs/dbraw/zinc/47/80/87/999478087.db2.gz	ZLQKOQAQKZNTGL-LLVKDONJSA-N	-1	0	378.385	0.762	20	5		GCBDRM
CCOCCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600665550	530118903	/nfs/dbraw/zinc/11/89/03/530118903.db2.gz	UZCMQLVFLDCPSF-SNVBAGLBSA-N	-1	0	378.407	0.466	20	5		GCBDRM
Cn1cc(C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000558862850	530119716	/nfs/dbraw/zinc/11/97/16/530119716.db2.gz	RQYAYTDLFMZIDB-SNVBAGLBSA-N	-1	0	388.789	0.956	20	5		GCBDRM
CN(C)S(=O)(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)(F)F	ZINC000286355437	530129910	/nfs/dbraw/zinc/12/99/10/530129910.db2.gz	JFLQANOELIRXFA-SNVBAGLBSA-N	-1	0	385.320	0.853	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000598584052	530138227	/nfs/dbraw/zinc/13/82/27/530138227.db2.gz	IFDOHOUCRMFLDC-JTQLQIEISA-N	-1	0	392.411	0.084	20	5		GCBDRM
COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1	ZINC000599332427	530161330	/nfs/dbraw/zinc/16/13/30/530161330.db2.gz	RXAIOOQQUKFIDG-ZCFIWIBFSA-N	-1	0	375.388	0.611	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2CS(C)(=O)=O)n1	ZINC000599252187	530161501	/nfs/dbraw/zinc/16/15/01/530161501.db2.gz	NJAUXSFAYDAOPA-UHFFFAOYSA-N	-1	0	388.427	0.351	20	5		GCBDRM
CS(=O)(=O)N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000599429069	530162277	/nfs/dbraw/zinc/16/22/77/530162277.db2.gz	DLPDSOXTXPFFEJ-NXEZZACHSA-N	-1	0	378.432	0.129	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(S(C)(=O)=O)s2)n1	ZINC000599289584	530162382	/nfs/dbraw/zinc/16/23/82/530162382.db2.gz	VPMZISUIWZIDPZ-UHFFFAOYSA-N	-1	0	380.429	0.272	20	5		GCBDRM
CCOC(=O)c1nnc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])s1	ZINC000611029235	530228453	/nfs/dbraw/zinc/22/84/53/530228453.db2.gz	LOSUCCPINIZOPU-UHFFFAOYSA-N	-1	0	376.376	0.640	20	5		GCBDRM
Cc1c(Br)cc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000263451014	530252369	/nfs/dbraw/zinc/25/23/69/530252369.db2.gz	AMONEPPFIJPQED-LLVKDONJSA-N	-1	0	397.203	0.780	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)c([N+](=O)[O-])n1	ZINC000435724482	530257868	/nfs/dbraw/zinc/25/78/68/530257868.db2.gz	XGHXLGYRDMMTCS-UHFFFAOYSA-N	-1	0	389.415	0.984	20	5		GCBDRM
COc1c(F)cc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000614548297	530309861	/nfs/dbraw/zinc/30/98/61/530309861.db2.gz	MCEBGHURKAKOTQ-UHFFFAOYSA-N	-1	0	384.407	0.844	20	5		GCBDRM
COCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000580703549	530324399	/nfs/dbraw/zinc/32/43/99/530324399.db2.gz	ZNCMTHBGVRSBOH-JTQLQIEISA-N	-1	0	376.343	0.149	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000580771285	530324539	/nfs/dbraw/zinc/32/45/39/530324539.db2.gz	CHZRKZRHNWCUKR-SECBINFHSA-N	-1	0	378.407	0.748	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CCS(=O)(=O)CC1	ZINC000581486326	530325179	/nfs/dbraw/zinc/32/51/79/530325179.db2.gz	GILUYBNBIDRIMR-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
CS(=O)(=O)CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000581552394	530325616	/nfs/dbraw/zinc/32/56/16/530325616.db2.gz	XFQIRPYIIYHCIY-UHFFFAOYSA-N	-1	0	392.411	0.396	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000582358150	530327139	/nfs/dbraw/zinc/32/71/39/530327139.db2.gz	HJTCXDCZDBPGGO-MRVPVSSYSA-N	-1	0	378.384	0.149	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000580081120	530333432	/nfs/dbraw/zinc/33/34/32/530333432.db2.gz	DENWOOXVUJQANS-SECBINFHSA-N	-1	0	392.411	0.396	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000565301561	530351424	/nfs/dbraw/zinc/35/14/24/530351424.db2.gz	YJWJDWWFVUWNOW-SSDOTTSWSA-N	-1	0	380.400	0.313	20	5		GCBDRM
COCC(=O)N1CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1	ZINC000327689739	530446629	/nfs/dbraw/zinc/44/66/29/530446629.db2.gz	IUJWVKINNVBQHE-UHFFFAOYSA-N	-1	0	375.378	0.650	20	5		GCBDRM
C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])S(C)(=O)=O	ZINC000567796830	530471055	/nfs/dbraw/zinc/47/10/55/530471055.db2.gz	IAYFWRTXRZPOGF-DTWKUNHWSA-N	-1	0	394.427	0.735	20	5		GCBDRM
O=C([O-])[C@@]1(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCSC1	ZINC000567809458	530473177	/nfs/dbraw/zinc/47/31/77/530473177.db2.gz	UXJXVXFRRJBOSR-CYBMUJFWSA-N	-1	0	390.395	0.605	20	5		GCBDRM
O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436492601	530475326	/nfs/dbraw/zinc/47/53/26/530475326.db2.gz	KBGNFWXRYCWIPZ-VIFPVBQESA-N	-1	0	386.407	0.927	20	5		GCBDRM
Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000569238238	530496777	/nfs/dbraw/zinc/49/67/77/530496777.db2.gz	IRRRHQJBKFQJPF-SECBINFHSA-N	-1	0	392.411	0.457	20	5		GCBDRM
CCn1cc(S(=O)(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c([N+](=O)[O-])n1	ZINC000571310893	530507026	/nfs/dbraw/zinc/50/70/26/530507026.db2.gz	PQJJJILSVAWESG-SNVBAGLBSA-N	-1	0	386.308	0.839	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1	ZINC000571639393	530507737	/nfs/dbraw/zinc/50/77/37/530507737.db2.gz	ROXPNDVCHLBXOO-LLVKDONJSA-N	-1	0	392.411	0.084	20	5		GCBDRM
CC(C)(CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])S(C)(=O)=O	ZINC000571886496	530508884	/nfs/dbraw/zinc/50/88/84/530508884.db2.gz	XEJGFAVASXRKNL-UHFFFAOYSA-N	-1	0	394.427	0.785	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCCCS(C)(=O)=O	ZINC000573495230	530524470	/nfs/dbraw/zinc/52/44/70/530524470.db2.gz	LFOKFDYAKOFPQI-UHFFFAOYSA-N	-1	0	380.400	0.314	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1	ZINC000573683083	530525349	/nfs/dbraw/zinc/52/53/49/530525349.db2.gz	RSMDHTUSOFRBEE-QVQLBTGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436958266	530527778	/nfs/dbraw/zinc/52/77/78/530527778.db2.gz	FWZNIACGQLMERY-SNVBAGLBSA-N	-1	0	386.407	0.927	20	5		GCBDRM
O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436985120	530529176	/nfs/dbraw/zinc/52/91/76/530529176.db2.gz	GUYMPJDXPCNCAI-JTQLQIEISA-N	-1	0	386.407	0.927	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000574695588	530561083	/nfs/dbraw/zinc/56/10/83/530561083.db2.gz	RYWJNGGPNHVKCL-QMMMGPOBSA-N	-1	0	380.400	0.395	20	5		GCBDRM
O=[N+]([O-])c1cnc(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)nc1	ZINC000438904718	530572686	/nfs/dbraw/zinc/57/26/86/530572686.db2.gz	UTEVNXQGYQRYJC-UHFFFAOYSA-N	-1	0	384.340	0.340	20	5		GCBDRM
CCOC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000414338615	530597560	/nfs/dbraw/zinc/59/75/60/530597560.db2.gz	YMPRJMYHQUJZMQ-UHFFFAOYSA-N	-1	0	376.343	0.151	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000519535331	530598088	/nfs/dbraw/zinc/59/80/88/530598088.db2.gz	ABWARDAGOZKDQO-VIFPVBQESA-N	-1	0	394.427	0.737	20	5		GCBDRM
CS(=O)(=O)N[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000268217843	530681728	/nfs/dbraw/zinc/68/17/28/530681728.db2.gz	IUZOEGWAPZBDDN-KOLCDFICSA-N	-1	0	395.434	0.730	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000591563513	530718204	/nfs/dbraw/zinc/71/82/04/530718204.db2.gz	WUKSPXHBUXGCAV-LLVKDONJSA-N	-1	0	391.789	0.370	20	5		GCBDRM
Cc1n[nH]c(C(=O)N2CCc3nc([N-]S(C)(=O)=O)sc3C2)c1[N+](=O)[O-]	ZINC000552548348	530772133	/nfs/dbraw/zinc/77/21/33/530772133.db2.gz	RDVQUQBFBFBNDX-UHFFFAOYSA-N	-1	0	386.415	0.653	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000275058710	530800993	/nfs/dbraw/zinc/80/09/93/530800993.db2.gz	YOEVQPJAGJAPCW-MRVPVSSYSA-N	-1	0	391.789	0.460	20	5		GCBDRM
CNS(=O)(=O)c1ccc(N2CCSC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000592985008	530789068	/nfs/dbraw/zinc/78/90/68/530789068.db2.gz	ZLYPPYQZLSIGBS-VIFPVBQESA-N	-1	0	375.428	0.757	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275088728	530819825	/nfs/dbraw/zinc/81/98/25/530819825.db2.gz	OMJISMNMCZFRDA-MRVPVSSYSA-N	-1	0	379.778	0.554	20	5		GCBDRM
C[C@H](O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000298865562	530849759	/nfs/dbraw/zinc/84/97/59/530849759.db2.gz	RLQHREHDHSGRST-CDUCUWFYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O	ZINC000417444765	530850387	/nfs/dbraw/zinc/85/03/87/530850387.db2.gz	DQUCFRRLBPLFHN-GZMMTYOYSA-N	-1	0	391.427	0.645	20	5		GCBDRM
NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000275095527	530865459	/nfs/dbraw/zinc/86/54/59/530865459.db2.gz	KUTQCFSKEWCPJB-GMSGAONNSA-N	-1	0	375.334	0.073	20	5		GCBDRM
C[C@@H](O)[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000274905342	530905328	/nfs/dbraw/zinc/90/53/28/530905328.db2.gz	JDXGMZWTGKCTGF-ANLVUFKYSA-N	-1	0	383.176	0.470	20	5		GCBDRM
O=C([O-])c1c(NS(=O)(=O)C2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-]	ZINC000275012635	530906058	/nfs/dbraw/zinc/90/60/58/530906058.db2.gz	NNBFRXCSQZFODK-UHFFFAOYSA-N	-1	0	378.384	0.612	20	5		GCBDRM
NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000275167596	530906847	/nfs/dbraw/zinc/90/68/47/530906847.db2.gz	UWJFIFLGNDQRBC-XCBNKYQSSA-N	-1	0	391.789	0.587	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000275195809	530907064	/nfs/dbraw/zinc/90/70/64/530907064.db2.gz	YJVTXTSQIVDDSD-SNVBAGLBSA-N	-1	0	395.187	0.831	20	5		GCBDRM
NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000275169869	530907144	/nfs/dbraw/zinc/90/71/44/530907144.db2.gz	VFPYAHDZJVYAIA-APPZFPTMSA-N	-1	0	375.334	0.073	20	5		GCBDRM
NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000275169872	530907161	/nfs/dbraw/zinc/90/71/61/530907161.db2.gz	VFPYAHDZJVYAIA-CBAPKCEASA-N	-1	0	375.334	0.073	20	5		GCBDRM
COC(=O)CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000275216200	530907165	/nfs/dbraw/zinc/90/71/65/530907165.db2.gz	IBIFFGRQDSNHEB-VIFPVBQESA-N	-1	0	376.343	0.288	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275175316	530907242	/nfs/dbraw/zinc/90/72/42/530907242.db2.gz	VYERJEDEEVXLCC-SECBINFHSA-N	-1	0	398.802	0.121	20	5		GCBDRM
COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000275278154	530907871	/nfs/dbraw/zinc/90/78/71/530907871.db2.gz	NWPMONXHXSMXST-SECBINFHSA-N	-1	0	376.343	0.288	20	5		GCBDRM
COC[C@H](CCNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1)OC	ZINC000594719451	530877875	/nfs/dbraw/zinc/87/78/75/530877875.db2.gz	IUKCWRDZMAYECN-JTQLQIEISA-N	-1	0	376.387	0.931	20	5		GCBDRM
CS(=O)(=O)NC1(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CCCCC1	ZINC000594746445	530879243	/nfs/dbraw/zinc/87/92/43/530879243.db2.gz	PYFCVAJYDMASIH-UHFFFAOYSA-N	-1	0	392.459	0.520	20	5		GCBDRM
Cc1sc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548535989	530880405	/nfs/dbraw/zinc/88/04/05/530880405.db2.gz	BGNNASSCRLYSPG-VIFPVBQESA-N	-1	0	379.416	0.028	20	5		GCBDRM
CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000548561990	530882097	/nfs/dbraw/zinc/88/20/97/530882097.db2.gz	DAENEDIAELQJNC-SNVBAGLBSA-N	-1	0	378.407	0.559	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000424366448	530889319	/nfs/dbraw/zinc/88/93/19/530889319.db2.gz	IWVPYBMVJJEJKY-JTQLQIEISA-N	-1	0	392.411	0.084	20	5		GCBDRM
CS(=O)(=O)CCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000424605979	530890309	/nfs/dbraw/zinc/89/03/09/530890309.db2.gz	XFXAJSKVNQBEDA-UHFFFAOYSA-N	-1	0	380.400	0.396	20	5		GCBDRM
C[C@@](O)(C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CN1CCOCC1	ZINC000443254334	530894130	/nfs/dbraw/zinc/89/41/30/530894130.db2.gz	SLCHFQQDHBBHFZ-CQSZACIVSA-N	-1	0	377.394	0.095	20	5		GCBDRM
O=C([O-])[C@@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1	ZINC000374448514	530895604	/nfs/dbraw/zinc/89/56/04/530895604.db2.gz	ZGQXMGXINFHNKW-LLVKDONJSA-N	-1	0	395.187	0.879	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000600664927	530931501	/nfs/dbraw/zinc/93/15/01/530931501.db2.gz	CCRXDMWNCQOUOR-VHSXEESVSA-N	-1	0	376.391	0.359	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000277215650	530913101	/nfs/dbraw/zinc/91/31/01/530913101.db2.gz	HEXCBVHOCFZAKO-QMMMGPOBSA-N	-1	0	377.331	0.234	20	5		GCBDRM
Cc1c(Cl)cc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000277420495	530914007	/nfs/dbraw/zinc/91/40/07/530914007.db2.gz	PHTZIUFBFZCGQR-UHFFFAOYSA-N	-1	0	389.777	0.825	20	5		GCBDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000281917732	530922692	/nfs/dbraw/zinc/92/26/92/530922692.db2.gz	AEIURTXIWVENMQ-UHFFFAOYSA-N	-1	0	393.805	0.599	20	5		GCBDRM
CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000299434834	530927552	/nfs/dbraw/zinc/92/75/52/530927552.db2.gz	VQUIWGALOKGSEL-VIFPVBQESA-N	-1	0	381.407	0.436	20	5		GCBDRM
CC(C)Cc1nc(=NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)s[n-]1	ZINC000598190735	530964458	/nfs/dbraw/zinc/96/44/58/530964458.db2.gz	FOSAXSKQAHHYAT-UHFFFAOYSA-N	-1	0	385.427	0.966	20	5		GCBDRM
Cc1sc(S(=O)(=O)N2CCN3CCC[C@H]3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000556778402	530936759	/nfs/dbraw/zinc/93/67/59/530936759.db2.gz	AVBCTQVHDXWOIH-JOYOIKCWSA-N	-1	0	375.428	0.887	20	5		GCBDRM
CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000604030508	530937627	/nfs/dbraw/zinc/93/76/27/530937627.db2.gz	HNIIHEWBUXNQBQ-JTQLQIEISA-N	-1	0	393.443	0.250	20	5		GCBDRM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](N1CCOCC1)C(F)(F)F	ZINC000556823289	530938113	/nfs/dbraw/zinc/93/81/13/530938113.db2.gz	HDYDDJKLWKATCU-SNVBAGLBSA-N	-1	0	384.336	0.531	20	5		GCBDRM
O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000507304211	530941153	/nfs/dbraw/zinc/94/11/53/530941153.db2.gz	OGRZBCYVFYZPSG-LBPRGKRZSA-N	-1	0	386.407	0.927	20	5		GCBDRM
Cn1nnc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1	ZINC000486846011	530952795	/nfs/dbraw/zinc/95/27/95/530952795.db2.gz	XRFJVHDKJUCPCV-UHFFFAOYSA-N	-1	0	377.180	0.359	20	5		GCBDRM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1F	ZINC000461119253	530990055	/nfs/dbraw/zinc/99/00/55/530990055.db2.gz	VMIIYIQHUULHBN-UHFFFAOYSA-N	-1	0	375.359	0.755	20	5		GCBDRM
COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccncc1[N+](=O)[O-]	ZINC000461116088	530990409	/nfs/dbraw/zinc/99/04/09/530990409.db2.gz	VJSCCTJEGKGBIJ-UHFFFAOYSA-N	-1	0	387.395	0.625	20	5		GCBDRM
O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000547928600	531020527	/nfs/dbraw/zinc/02/05/27/531020527.db2.gz	HUSYWARXRFXSFS-PVBMHHQDSA-N	-1	0	382.803	0.454	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1C	ZINC000547929337	531020565	/nfs/dbraw/zinc/02/05/65/531020565.db2.gz	ZGVXPBGOHCMPOI-NSHDSACASA-N	-1	0	392.411	0.084	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1C	ZINC000547930588	531020936	/nfs/dbraw/zinc/02/09/36/531020936.db2.gz	TUZZGSARVPMEDC-QVQLBTGDSA-N	-1	0	376.412	0.418	20	5		GCBDRM
Cn1cc(C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cn1	ZINC000547894839	531000626	/nfs/dbraw/zinc/00/06/26/531000626.db2.gz	MKYGQLLJBKAZFM-JTQLQIEISA-N	-1	0	388.789	0.956	20	5		GCBDRM
CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000576634097	531084160	/nfs/dbraw/zinc/08/41/60/531084160.db2.gz	ALIKINZNMCNZFR-QMMMGPOBSA-N	-1	0	380.400	0.395	20	5		GCBDRM
COC[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548214456	531087441	/nfs/dbraw/zinc/08/74/41/531087441.db2.gz	WKZAANHREQOKLO-SECBINFHSA-N	-1	0	383.176	0.735	20	5		GCBDRM
COC[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548214461	531087498	/nfs/dbraw/zinc/08/74/98/531087498.db2.gz	WKZAANHREQOKLO-VIFPVBQESA-N	-1	0	383.176	0.735	20	5		GCBDRM
CO[C@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548221718	531088700	/nfs/dbraw/zinc/08/87/00/531088700.db2.gz	BINNCHVUCKLKQM-SECBINFHSA-N	-1	0	383.176	0.735	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1sccc1-c1nn[nH]n1	ZINC000738140308	599026327	/nfs/dbraw/zinc/02/63/27/599026327.db2.gz	RFQSRRJPECEBPK-UHFFFAOYSA-N	-1	0	380.367	0.955	20	5		GCBDRM
CC(C)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262690003	597032979	/nfs/dbraw/zinc/03/29/79/597032979.db2.gz	VXZNWUXDGFBTGL-CYBMUJFWSA-N	-1	0	387.414	0.831	20	5		GCBDRM
O=C([O-])C1(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1	ZINC000532862965	597038170	/nfs/dbraw/zinc/03/81/70/597038170.db2.gz	IRVWZHMXMAVSTR-UHFFFAOYSA-N	-1	0	385.398	0.777	20	5		GCBDRM
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000262723136	597308434	/nfs/dbraw/zinc/30/84/34/597308434.db2.gz	XBWPDRVQTHERTN-WDEREUQCSA-N	-1	0	385.398	0.585	20	5		GCBDRM
C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000262536675	597310019	/nfs/dbraw/zinc/31/00/19/597310019.db2.gz	QIUPNHJLISHGCE-GXFFZTMASA-N	-1	0	385.398	0.727	20	5		GCBDRM
O=C([O-])[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262664646	597443597	/nfs/dbraw/zinc/44/35/97/597443597.db2.gz	MXHJQTWRTVFOPI-ZDUSSCGKSA-N	-1	0	385.398	0.729	20	5		GCBDRM
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000610891720	597495216	/nfs/dbraw/zinc/49/52/16/597495216.db2.gz	NUWYAXXHTGLSBP-UWVGGRQHSA-N	-1	0	385.398	0.972	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000262449455	597698635	/nfs/dbraw/zinc/69/86/35/597698635.db2.gz	QUTDMULUOZWKRA-NSHDSACASA-N	-1	0	387.414	0.812	20	5		GCBDRM
COc1ccc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000275192494	597698754	/nfs/dbraw/zinc/69/87/54/597698754.db2.gz	YATJBTGIZMVOFN-VIFPVBQESA-N	-1	0	389.386	0.203	20	5		GCBDRM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1	ZINC000274986847	597699493	/nfs/dbraw/zinc/69/94/93/597699493.db2.gz	DSBLGOCCRZHMEO-VIFPVBQESA-N	-1	0	391.377	0.642	20	5		GCBDRM
COc1ccc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275211761	597700311	/nfs/dbraw/zinc/70/03/11/597700311.db2.gz	ZTRQUFGYDCSTGO-VIFPVBQESA-N	-1	0	389.386	0.203	20	5		GCBDRM
CC(=O)NCCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H](C)C(=O)[O-]	ZINC000819744313	597716439	/nfs/dbraw/zinc/71/64/39/597716439.db2.gz	FXWKJFXQMUDNEI-ZUZCIYMTSA-N	-1	0	392.368	0.526	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1	ZINC000739920040	599737580	/nfs/dbraw/zinc/73/75/80/599737580.db2.gz	URDHSXIOTKUOMD-UHFFFAOYSA-N	-1	0	375.341	0.965	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1	ZINC000740173354	599769818	/nfs/dbraw/zinc/76/98/18/599769818.db2.gz	JVLYPKIRFAWLOH-UHFFFAOYSA-N	-1	0	382.354	0.792	20	5		GCBDRM
C[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-]	ZINC000594461258	599781385	/nfs/dbraw/zinc/78/13/85/599781385.db2.gz	ZBEYRCBNMGWFJF-RYUDHWBXSA-N	-1	0	399.425	0.832	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)Nc2ccn(CC(=O)[O-])n2)cc1[N+](=O)[O-]	ZINC000737926281	599783594	/nfs/dbraw/zinc/78/35/94/599783594.db2.gz	RRDYNXPCMJHDGY-UHFFFAOYSA-N	-1	0	377.313	0.253	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)CC(=O)[O-])CC1	ZINC000262936337	599852474	/nfs/dbraw/zinc/85/24/74/599852474.db2.gz	IKAHREUSALEILY-UHFFFAOYSA-N	-1	0	399.425	0.847	20	5		GCBDRM
O=C([O-])Cn1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1	ZINC000485890706	599873235	/nfs/dbraw/zinc/87/32/35/599873235.db2.gz	UAUCXZPLCHZNPQ-UHFFFAOYSA-N	-1	0	381.732	0.898	20	5		GCBDRM
C[C@@H](CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-]	ZINC000262214005	599929849	/nfs/dbraw/zinc/92/98/49/599929849.db2.gz	YNUVWPPROICRMT-NSHDSACASA-N	-1	0	399.425	0.975	20	5		GCBDRM
C[C@@H](CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-]	ZINC000736562220	599930162	/nfs/dbraw/zinc/93/01/62/599930162.db2.gz	FCIPEVNDSJSRGV-NSHDSACASA-N	-1	0	399.425	0.975	20	5		GCBDRM
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000610892163	599939420	/nfs/dbraw/zinc/93/94/20/599939420.db2.gz	YYXHLGYPMYLOIO-HUUCEWRRSA-N	-1	0	391.380	0.820	20	5		GCBDRM
CCc1nnc2n1C[C@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000737288899	599957857	/nfs/dbraw/zinc/95/78/57/599957857.db2.gz	ZDOUVBTUTWNTSB-LLVKDONJSA-N	-1	0	388.384	0.990	20	5		GCBDRM
CCN(CC)S(=O)(=O)c1ccc(N2CCO[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000580170934	599959460	/nfs/dbraw/zinc/95/94/60/599959460.db2.gz	RSSXTIKEFIDMNI-AWEZNQCLSA-N	-1	0	387.414	0.915	20	5		GCBDRM
O=C([O-])[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000463465403	600030291	/nfs/dbraw/zinc/03/02/91/600030291.db2.gz	XUTCTUNKMFPAFG-NSHDSACASA-N	-1	0	385.398	0.586	20	5		GCBDRM
O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000262633938	600059421	/nfs/dbraw/zinc/05/94/21/600059421.db2.gz	OXXFDNVHRLVBTN-MNOVXSKESA-N	-1	0	383.382	0.148	20	5		GCBDRM
O=C([O-])c1nc2n(n1)CCCN2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000740278627	600079530	/nfs/dbraw/zinc/07/95/30/600079530.db2.gz	UTZKMJUATWIZOL-UHFFFAOYSA-N	-1	0	375.297	0.706	20	5		GCBDRM
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2noc(CCC(=O)[O-])n2)C1=O	ZINC000736740736	600181866	/nfs/dbraw/zinc/18/18/66/600181866.db2.gz	DWRBDEOGWXUJBJ-MRXNPFEDSA-N	-1	0	389.324	0.962	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1	ZINC000610892033	600251037	/nfs/dbraw/zinc/25/10/37/600251037.db2.gz	LOMWQVGCVOFEDC-NXEZZACHSA-N	-1	0	383.382	0.573	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NC[C@@H](O)C2CCOCC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736655482	600259530	/nfs/dbraw/zinc/25/95/30/600259530.db2.gz	DEIPSIBYCNZDAB-ZUZCIYMTSA-N	-1	0	381.385	0.997	20	5		GCBDRM
CN(CC(=O)[O-])C(=O)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000737401766	600291071	/nfs/dbraw/zinc/29/10/71/600291071.db2.gz	VHDASFZJVBRBAN-UHFFFAOYSA-N	-1	0	384.414	0.347	20	5		GCBDRM
O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CCO1	ZINC000591564451	600319619	/nfs/dbraw/zinc/31/96/19/600319619.db2.gz	SEICJSJHBGPEJS-ZDUSSCGKSA-N	-1	0	395.324	0.007	20	5		GCBDRM
Cc1[nH]nc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C(=O)[O-]	ZINC000738829984	600340331	/nfs/dbraw/zinc/34/03/31/600340331.db2.gz	XMLCNTKYDYCFNQ-UHFFFAOYSA-N	-1	0	396.385	0.230	20	5		GCBDRM
C[C@H](CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1	ZINC000736607259	600365186	/nfs/dbraw/zinc/36/51/86/600365186.db2.gz	RYUJRQPNMQKSTI-GFCCVEGCSA-N	-1	0	380.401	0.789	20	5		GCBDRM
CC(C)(CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N1CCS(=O)CC1	ZINC000736322273	600384936	/nfs/dbraw/zinc/38/49/36/600384936.db2.gz	URTHTMMPHBVDDZ-UHFFFAOYSA-N	-1	0	383.426	0.866	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CCC[C@@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	ZINC000739812846	600397472	/nfs/dbraw/zinc/39/74/72/600397472.db2.gz	NINLXAOKYAVEKC-GFCCVEGCSA-N	-1	0	388.384	0.917	20	5		GCBDRM
O=C([O-])Cn1cc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1	ZINC000739900691	600532673	/nfs/dbraw/zinc/53/26/73/600532673.db2.gz	WNXUEDOCUIQFAA-UHFFFAOYSA-N	-1	0	381.732	0.898	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657962	600624859	/nfs/dbraw/zinc/62/48/59/600624859.db2.gz	WOJGLPSCHLKLGE-YPMHNXCESA-N	-1	0	381.385	0.775	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000736657961	600624972	/nfs/dbraw/zinc/62/49/72/600624972.db2.gz	WOJGLPSCHLKLGE-WCQYABFASA-N	-1	0	381.385	0.775	20	5		GCBDRM
C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000827810835	600656794	/nfs/dbraw/zinc/65/67/94/600656794.db2.gz	QWWZRUNSKFQPIY-JTQLQIEISA-N	-1	0	382.373	0.781	20	5		GCBDRM
O=C([O-])C[C@@H]1CSCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000739651126	600698993	/nfs/dbraw/zinc/69/89/93/600698993.db2.gz	LMAHVUCWQMSXAN-CYBMUJFWSA-N	-1	0	396.425	0.813	20	5		GCBDRM
O=C([O-])CCCS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000738584744	600725922	/nfs/dbraw/zinc/72/59/22/600725922.db2.gz	IYFMJMNTUXBAIP-UHFFFAOYSA-N	-1	0	385.398	0.547	20	5		GCBDRM
O=C([O-])CNC(=O)c1ccc(N2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000833251973	600803918	/nfs/dbraw/zinc/80/39/18/600803918.db2.gz	AZDQEOICRLQTRV-CYBMUJFWSA-N	-1	0	377.275	0.913	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(NC[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704248	600817631	/nfs/dbraw/zinc/81/76/31/600817631.db2.gz	WDJYOKUWRQKWJJ-OTYXRUKQSA-N	-1	0	377.357	0.677	20	5		GCBDRM
C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC000828202001	600825720	/nfs/dbraw/zinc/82/57/20/600825720.db2.gz	ZRMOXFMHINRSPU-CDMKHQONSA-N	-1	0	376.369	0.830	20	5		GCBDRM
C[C@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1	ZINC000828175597	600937700	/nfs/dbraw/zinc/93/77/00/600937700.db2.gz	CRLDCHDQIDQZLU-LKFCYVNXSA-N	-1	0	387.352	0.950	20	5		GCBDRM
COc1ccc(OCCn2cnc3c(cnn3CC(=O)[O-])c2=O)c([N+](=O)[O-])c1	ZINC000738048427	600985873	/nfs/dbraw/zinc/98/58/73/600985873.db2.gz	FQVPXYGLDPGYAJ-UHFFFAOYSA-N	-1	0	389.324	0.673	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1=O	ZINC000833130469	601122931	/nfs/dbraw/zinc/12/29/31/601122931.db2.gz	ALZIXUZDYPMADG-JTQLQIEISA-N	-1	0	392.349	0.990	20	5		GCBDRM
O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1=O	ZINC000833130471	601123050	/nfs/dbraw/zinc/12/30/50/601123050.db2.gz	ALZIXUZDYPMADG-SNVBAGLBSA-N	-1	0	392.349	0.990	20	5		GCBDRM
C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704212	601201709	/nfs/dbraw/zinc/20/17/09/601201709.db2.gz	VMORSHIQZXJBMR-MNOVXSKESA-N	-1	0	378.385	0.890	20	5		GCBDRM
C[C@@]1([C@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)NC(=O)NC1=O	ZINC000828087979	601245041	/nfs/dbraw/zinc/24/50/41/601245041.db2.gz	GCDWQSVZDILGQV-GTNSWQLSSA-N	-1	0	390.352	0.743	20	5		GCBDRM
COc1ccc(S(=O)(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000832454954	601260518	/nfs/dbraw/zinc/26/05/18/601260518.db2.gz	HEFYVHQLERVMIG-LLVKDONJSA-N	-1	0	387.414	0.773	20	5		GCBDRM
COC[C@](C)(CC(=O)[O-])NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000262107226	601293102	/nfs/dbraw/zinc/29/31/02/601293102.db2.gz	NRZYXAUXISCVIR-HNNXBMFYSA-N	-1	0	387.776	0.974	20	5		GCBDRM
Cn1cc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000833044668	601315015	/nfs/dbraw/zinc/31/50/15/601315015.db2.gz	AZUVURCPIVUYMD-UHFFFAOYSA-N	-1	0	396.381	0.939	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704542	601379132	/nfs/dbraw/zinc/37/91/32/601379132.db2.gz	XKSSNJUZAAHAOX-NSHDSACASA-N	-1	0	390.396	0.904	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827702957	601380499	/nfs/dbraw/zinc/38/04/99/601380499.db2.gz	DWVZGMSJKGEPHN-ONGXEEELSA-N	-1	0	376.369	0.973	20	5		GCBDRM
CNc1ccc(S(=O)(=O)NCC(=O)OC/C=C(\C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000831047345	601406069	/nfs/dbraw/zinc/40/60/69/601406069.db2.gz	WEIUZNWNDXNTBY-WEVVVXLNSA-N	-1	0	387.370	0.489	20	5		GCBDRM
COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000831071260	601506766	/nfs/dbraw/zinc/50/67/66/601506766.db2.gz	ACLROWICIWUEIF-MRVPVSSYSA-N	-1	0	380.762	0.851	20	5		GCBDRM
COCCNC(=O)CN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000831745939	601544840	/nfs/dbraw/zinc/54/48/40/601544840.db2.gz	SZHMMZNGSXHAEX-UHFFFAOYSA-N	-1	0	380.401	0.486	20	5		GCBDRM
CN(CC(=O)NCC1(C(=O)[O-])CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000830674180	601601852	/nfs/dbraw/zinc/60/18/52/601601852.db2.gz	ACVXVKORQRGHNH-UHFFFAOYSA-N	-1	0	399.425	0.977	20	5		GCBDRM
O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000833192151	601609683	/nfs/dbraw/zinc/60/96/83/601609683.db2.gz	PFSLNCIXAWNXSS-TVQRCGJNSA-N	-1	0	381.316	0.399	20	5		GCBDRM
COC[C@@](C)(NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)[O-]	ZINC000831602131	601700583	/nfs/dbraw/zinc/70/05/83/601700583.db2.gz	AWHQEQPISIUWMO-MRXNPFEDSA-N	-1	0	381.341	0.889	20	5		GCBDRM
C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000828334024	601715264	/nfs/dbraw/zinc/71/52/64/601715264.db2.gz	LDYIAQKCHYLBBQ-GXFFZTMASA-N	-1	0	385.398	0.394	20	5		GCBDRM
C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000263190599	601715291	/nfs/dbraw/zinc/71/52/91/601715291.db2.gz	LDYIAQKCHYLBBQ-ZWNOBZJWSA-N	-1	0	385.398	0.394	20	5		GCBDRM
COc1ccc(C(=O)NCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000832169867	601760924	/nfs/dbraw/zinc/76/09/24/601760924.db2.gz	UJRHLLKNYRBOAC-NSHDSACASA-N	-1	0	381.341	0.035	20	5		GCBDRM
C[C@H](CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-]	ZINC000827545639	601794056	/nfs/dbraw/zinc/79/40/56/601794056.db2.gz	BQJZDNWDIMBIJO-LLVKDONJSA-N	-1	0	385.398	0.403	20	5		GCBDRM
COC[C@](C)(NC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)[O-]	ZINC000831597452	601820098	/nfs/dbraw/zinc/82/00/98/601820098.db2.gz	UXBQROVTIIGSLZ-BCTVWOGZSA-N	-1	0	379.325	0.185	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1	ZINC000828035193	601865402	/nfs/dbraw/zinc/86/54/02/601865402.db2.gz	CPXDJIBIRCINML-MRXNPFEDSA-N	-1	0	399.425	0.917	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1	ZINC000832958555	602069276	/nfs/dbraw/zinc/06/92/76/602069276.db2.gz	KTXWMWLUAYURFN-LBPRGKRZSA-N	-1	0	399.425	0.847	20	5		GCBDRM
O=C([O-])c1cc([N+](=O)[O-])cn(C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1=O	ZINC000833307459	602300100	/nfs/dbraw/zinc/30/01/00/602300100.db2.gz	NMVRMZFOKFBPSR-NSHDSACASA-N	-1	0	379.281	0.803	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCOCC2CC2)c1-c1nnn[n-]1	ZINC000826500329	607581553	/nfs/dbraw/zinc/58/15/53/607581553.db2.gz	UIAWLQCKPBXUCO-UHFFFAOYSA-N	-1	0	382.402	0.870	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCOCC(F)(F)F)c1-c1nnn[n-]1	ZINC000826500398	607582960	/nfs/dbraw/zinc/58/29/60/607582960.db2.gz	XDWAKHCAAUFSKD-UHFFFAOYSA-N	-1	0	396.307	0.632	20	5		GCBDRM
O=C([O-])NCCOC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000739973849	602741912	/nfs/dbraw/zinc/74/19/12/602741912.db2.gz	ZYKKYXWHLVIYLP-GFCCVEGCSA-N	-1	0	387.370	0.559	20	5		GCBDRM
CCC[C@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)OC	ZINC000825233065	607583301	/nfs/dbraw/zinc/58/33/01/607583301.db2.gz	MOKBIGWCGNTQPW-AWEZNQCLSA-N	-1	0	398.401	0.785	20	5		GCBDRM
C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824414245	607593340	/nfs/dbraw/zinc/59/33/40/607593340.db2.gz	XYDZGVVJGOSWQY-VIFPVBQESA-N	-1	0	395.401	0.064	20	5		GCBDRM
CCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825307517	607594306	/nfs/dbraw/zinc/59/43/06/607594306.db2.gz	CJMVRDQCSJYHRR-UHFFFAOYSA-N	-1	0	397.417	0.264	20	5		GCBDRM
Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826334150	607606897	/nfs/dbraw/zinc/60/68/97/607606897.db2.gz	JWFSRTRHVJTOPC-SECBINFHSA-N	-1	0	392.401	0.856	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@@H]2CCOC2)c1-c1nnn[n-]1	ZINC000826499908	607613901	/nfs/dbraw/zinc/61/39/01/607613901.db2.gz	DLJVCLNJOWRMJR-SNVBAGLBSA-N	-1	0	398.401	0.106	20	5		GCBDRM
O=C([O-])N1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1	ZINC000739927444	603239150	/nfs/dbraw/zinc/23/91/50/603239150.db2.gz	OQSFLQNDKREZPT-SECBINFHSA-N	-1	0	387.370	0.787	20	5		GCBDRM
CCCCOC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825290617	607618385	/nfs/dbraw/zinc/61/83/85/607618385.db2.gz	BNKYRWZZVGJDNV-UHFFFAOYSA-N	-1	0	384.374	0.397	20	5		GCBDRM
NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000826390320	607622075	/nfs/dbraw/zinc/62/20/75/607622075.db2.gz	WRYDZXODKHJTCS-DTWKUNHWSA-N	-1	0	395.401	0.097	20	5		GCBDRM
CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@H]2CCO[C@H]21	ZINC000824790078	607643327	/nfs/dbraw/zinc/64/33/27/607643327.db2.gz	KIEPVGSDWNEYGX-BZHVJNSISA-N	-1	0	394.413	0.867	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N(CCCCO)C2CC2)c1-c1nnn[n-]1	ZINC000826500065	607644811	/nfs/dbraw/zinc/64/48/11/607644811.db2.gz	JROUZMZJIFEOQV-UHFFFAOYSA-N	-1	0	382.402	0.701	20	5		GCBDRM
COCCOC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826160797	607648911	/nfs/dbraw/zinc/64/89/11/607648911.db2.gz	GZFQIGFMILJJMV-VIFPVBQESA-N	-1	0	386.390	0.105	20	5		GCBDRM
CC[C@H](C[C@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825089310	607657689	/nfs/dbraw/zinc/65/76/89/607657689.db2.gz	CJIQKXZIDAARPN-VHSXEESVSA-N	-1	0	384.418	0.850	20	5		GCBDRM
COC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C1CC1	ZINC000826112123	607658452	/nfs/dbraw/zinc/65/84/52/607658452.db2.gz	SPQBAMDZAQVCPC-NSHDSACASA-N	-1	0	382.358	0.005	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOc3ncccc32)c1-c1nnn[n-]1	ZINC000826500455	607663757	/nfs/dbraw/zinc/66/37/57/607663757.db2.gz	YYMNGQUDQPKLQY-UHFFFAOYSA-N	-1	0	389.353	0.758	20	5		GCBDRM
NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826390032	607663364	/nfs/dbraw/zinc/66/33/64/607663364.db2.gz	OJGZZIIWDVKAGP-BDAKNGLRSA-N	-1	0	395.401	0.097	20	5		GCBDRM
Cc1nnc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)o1	ZINC000826335599	607671283	/nfs/dbraw/zinc/67/12/83/607671283.db2.gz	UCOVOTDAVYYGIV-LURJTMIESA-N	-1	0	380.346	0.506	20	5		GCBDRM
Cc1nnc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)o1	ZINC000826335600	607671492	/nfs/dbraw/zinc/67/14/92/607671492.db2.gz	UCOVOTDAVYYGIV-ZCFIWIBFSA-N	-1	0	380.346	0.506	20	5		GCBDRM
CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn1	ZINC000825883252	607682453	/nfs/dbraw/zinc/68/24/53/607682453.db2.gz	FCWVIYFAXHYKSO-UHFFFAOYSA-N	-1	0	391.373	0.432	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(NC[C@H]2CCCS2(=O)=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827704283	604279605	/nfs/dbraw/zinc/27/96/05/604279605.db2.gz	WZACRTFZJRPESD-GXSJLCMTSA-N	-1	0	385.398	0.787	20	5		GCBDRM
C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)C(=O)[O-]	ZINC000827442737	604625858	/nfs/dbraw/zinc/62/58/58/604625858.db2.gz	QDQRXIHGLCLYJZ-NSHDSACASA-N	-1	0	387.414	0.773	20	5		GCBDRM
C[C@H](NC(=O)c1ccc(N[C@@H](C)[C@H]2CN(C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827703334	604637951	/nfs/dbraw/zinc/63/79/51/604637951.db2.gz	KOIUNSREMWKNQP-ZIBATOQPSA-N	-1	0	380.401	0.929	20	5		GCBDRM
COC(=O)Cn1cc([C@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nn1	ZINC000831192507	604672432	/nfs/dbraw/zinc/67/24/32/604672432.db2.gz	LEEXGLVSNRYHGN-QMMMGPOBSA-N	-1	0	378.297	0.976	20	5		GCBDRM
O=C([O-])Cn1cc(CCOC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nn1	ZINC000833270258	604696700	/nfs/dbraw/zinc/69/67/00/604696700.db2.gz	UNUJZFQBXFEXKK-UHFFFAOYSA-N	-1	0	386.324	0.856	20	5		GCBDRM
O=C([O-])Cn1cc(CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nn1	ZINC000833269414	604699443	/nfs/dbraw/zinc/69/94/43/604699443.db2.gz	HYVMTZBHJQPHAR-UHFFFAOYSA-N	-1	0	378.297	0.442	20	5		GCBDRM
C[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)NCC(=O)[O-]	ZINC000833534385	604709747	/nfs/dbraw/zinc/70/97/47/604709747.db2.gz	YSYBOKYUBCNGKY-RXMQYKEDSA-N	-1	0	376.119	0.498	20	5		GCBDRM
O=C(CCN1C(=O)c2ccccc2C1=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC000833099184	604713367	/nfs/dbraw/zinc/71/33/67/604713367.db2.gz	KWLNWXRYFMZLPY-UHFFFAOYSA-N	-1	0	399.315	0.710	20	5		GCBDRM
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1CN(C(=O)[O-])C1	ZINC000740009122	604760710	/nfs/dbraw/zinc/76/07/10/604760710.db2.gz	RFNQOVTWQOUWAG-SECBINFHSA-N	-1	0	386.386	0.518	20	5		GCBDRM
CS(=O)(=O)CC1(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000832664423	604809125	/nfs/dbraw/zinc/80/91/25/604809125.db2.gz	ACFKBUJDNOEEGM-UHFFFAOYSA-N	-1	0	385.398	0.646	20	5		GCBDRM
O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1	ZINC000833144151	604877627	/nfs/dbraw/zinc/87/76/27/604877627.db2.gz	RCHAWVJRQNMOTP-UHFFFAOYSA-N	-1	0	381.732	0.898	20	5		GCBDRM
CC(C)[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833470759	604906107	/nfs/dbraw/zinc/90/61/07/604906107.db2.gz	CDTSFKUALYLTEF-ZDUSSCGKSA-N	-1	0	382.373	0.833	20	5		GCBDRM
Cc1cc(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)c(N)c([N+](=O)[O-])c1	ZINC000833742821	605024843	/nfs/dbraw/zinc/02/48/43/605024843.db2.gz	XEFRSOYQRQPUJQ-UHFFFAOYSA-N	-1	0	386.368	0.936	20	5		GCBDRM
C[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000833532445	605209055	/nfs/dbraw/zinc/20/90/55/605209055.db2.gz	IOPHMBOEMSPKFK-VIFPVBQESA-N	-1	0	376.325	0.888	20	5		GCBDRM
CC(C)[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000833471182	605209395	/nfs/dbraw/zinc/20/93/95/605209395.db2.gz	FLTGXCQJZBJPCP-ZDUSSCGKSA-N	-1	0	382.373	0.833	20	5		GCBDRM
C[C@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cn(CC(=O)[O-])nn1	ZINC000833531229	605227749	/nfs/dbraw/zinc/22/77/49/605227749.db2.gz	KQSDKRBAAMNLAZ-VIFPVBQESA-N	-1	0	377.313	0.305	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc([N+](=O)[O-])c1	ZINC000833777656	605272452	/nfs/dbraw/zinc/27/24/52/605272452.db2.gz	AHNRREDZOYLBON-WBMJQRKESA-N	-1	0	398.393	0.759	20	5		GCBDRM
O=C([O-])c1cc(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc([N+](=O)[O-])c1	ZINC000833777654	605272461	/nfs/dbraw/zinc/27/24/61/605272461.db2.gz	AHNRREDZOYLBON-LRDDRELGSA-N	-1	0	398.393	0.759	20	5		GCBDRM
C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000824698697	607747481	/nfs/dbraw/zinc/74/74/81/607747481.db2.gz	NCAQJDSVTPIBDK-ZJUUUORDSA-N	-1	0	382.402	0.699	20	5		GCBDRM
CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCOCC1	ZINC000833459744	605389024	/nfs/dbraw/zinc/38/90/24/605389024.db2.gz	LTEPVULUHFFSPU-UHFFFAOYSA-N	-1	0	387.414	0.682	20	5		GCBDRM
CNC(=O)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000833698942	605392294	/nfs/dbraw/zinc/39/22/94/605392294.db2.gz	AUJKISYHJXWKCN-UHFFFAOYSA-N	-1	0	385.398	0.876	20	5		GCBDRM
CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C2	ZINC000833700885	605397986	/nfs/dbraw/zinc/39/79/86/605397986.db2.gz	RDXLXRHJAJQDSZ-UHFFFAOYSA-N	-1	0	393.381	0.872	20	5		GCBDRM
COC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833721828	605399663	/nfs/dbraw/zinc/39/96/63/605399663.db2.gz	SPNHPJZNQZUHOS-CQSZACIVSA-N	-1	0	390.370	0.540	20	5		GCBDRM
C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1N1CCOCC1	ZINC000833631497	605400278	/nfs/dbraw/zinc/40/02/78/605400278.db2.gz	PJWDGKAVRMZQMI-BXUZGUMPSA-N	-1	0	399.425	0.634	20	5		GCBDRM
COC(=O)[C@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC000833706945	605694440	/nfs/dbraw/zinc/69/44/40/605694440.db2.gz	IWCJIPQKJLLFDH-HZMBPMFUSA-N	-1	0	395.368	0.880	20	5		GCBDRM
Cn1cc(-c2nn[nH]n2)cc1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000822645834	606408063	/nfs/dbraw/zinc/40/80/63/606408063.db2.gz	RLCKROPGHLZKRS-UHFFFAOYSA-N	-1	0	395.332	0.371	20	5		GCBDRM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ncccc2-c2nn[nH]n2)CC1	ZINC000823493686	606646722	/nfs/dbraw/zinc/64/67/22/606646722.db2.gz	RXGKEHPMZCRQCB-UHFFFAOYSA-N	-1	0	396.367	0.838	20	5		GCBDRM
CN(Cc1ccncc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821615629	606731101	/nfs/dbraw/zinc/73/11/01/606731101.db2.gz	GGUGSAPFIBVJNK-UHFFFAOYSA-N	-1	0	375.370	0.991	20	5		GCBDRM
CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000819803888	606731883	/nfs/dbraw/zinc/73/18/83/606731883.db2.gz	RFZDUGFARONESR-SNVBAGLBSA-N	-1	0	395.401	0.064	20	5		GCBDRM
CCCN(CC(=O)OCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000821087368	606732607	/nfs/dbraw/zinc/73/26/07/606732607.db2.gz	ASAUNJFRYYMGBM-UHFFFAOYSA-N	-1	0	398.401	0.739	20	5		GCBDRM
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000820750935	606734211	/nfs/dbraw/zinc/73/42/11/606734211.db2.gz	DOHGJNSWTFHZRM-GHMZBOCLSA-N	-1	0	395.445	0.736	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)c1-c1nnn[n-]1	ZINC000823648390	606735614	/nfs/dbraw/zinc/73/56/14/606735614.db2.gz	VXGRWFABWOOOTO-NSHDSACASA-N	-1	0	391.413	0.410	20	5		GCBDRM
NC(=O)C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1	ZINC000822865287	606736702	/nfs/dbraw/zinc/73/67/02/606736702.db2.gz	ZMPUBXOWYHJNAA-SECBINFHSA-N	-1	0	395.401	0.051	20	5		GCBDRM
NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1	ZINC000822889707	607154361	/nfs/dbraw/zinc/15/43/61/607154361.db2.gz	BWJCYDWSACTQPL-UHFFFAOYSA-N	-1	0	389.353	0.675	20	5		GCBDRM
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000821607633	607205834	/nfs/dbraw/zinc/20/58/34/607205834.db2.gz	XHKULXLSTJOWDT-UHFFFAOYSA-N	-1	0	377.752	0.678	20	5		GCBDRM
Cc1ccc(NCCCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1	ZINC000822254347	607219199	/nfs/dbraw/zinc/21/91/99/607219199.db2.gz	HKJMQSJTHYMLON-UHFFFAOYSA-N	-1	0	386.376	0.293	20	5		GCBDRM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826449671	607777027	/nfs/dbraw/zinc/77/70/27/607777027.db2.gz	DYKVJNNKDYYTQE-UHFFFAOYSA-N	-1	0	377.342	0.363	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826450195	607779945	/nfs/dbraw/zinc/77/99/45/607779945.db2.gz	AOIAYJCTAAMDPZ-UHFFFAOYSA-N	-1	0	381.305	0.361	20	5		GCBDRM
CC(=O)OC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1	ZINC000824010700	607811618	/nfs/dbraw/zinc/81/16/18/607811618.db2.gz	QNKZXEDSCAXBHK-UHFFFAOYSA-N	-1	0	396.385	0.491	20	5		GCBDRM
Cc1c(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cnn1C	ZINC000826236388	607972228	/nfs/dbraw/zinc/97/22/28/607972228.db2.gz	KAVAIOWHEZDWLG-UHFFFAOYSA-N	-1	0	378.374	0.295	20	5		GCBDRM
CCC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCO1	ZINC000825261071	607975477	/nfs/dbraw/zinc/97/54/77/607975477.db2.gz	SQBOPLBEQUAAEK-SNVBAGLBSA-N	-1	0	382.402	0.965	20	5		GCBDRM
CCC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCO1	ZINC000825261068	607975656	/nfs/dbraw/zinc/97/56/56/607975656.db2.gz	SQBOPLBEQUAAEK-JTQLQIEISA-N	-1	0	382.402	0.965	20	5		GCBDRM
CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825506780	608026361	/nfs/dbraw/zinc/02/63/61/608026361.db2.gz	MFNCDSKYYDSTAP-SECBINFHSA-N	-1	0	398.401	0.785	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3nccn3C2)c1-c1nnn[n-]1	ZINC000826500010	608056050	/nfs/dbraw/zinc/05/60/50/608056050.db2.gz	HUESWEAMGLUFDY-VIFPVBQESA-N	-1	0	390.385	0.265	20	5		GCBDRM
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2noc(C3CC3)n2)c1-c1nnn[n-]1	ZINC000826500358	608112111	/nfs/dbraw/zinc/11/21/11/608112111.db2.gz	VPFZAJIPJBXNEK-UHFFFAOYSA-N	-1	0	392.357	0.514	20	5		GCBDRM
C[C@H]1C[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCO1	ZINC000824886283	608155416	/nfs/dbraw/zinc/15/54/16/608155416.db2.gz	WSBLKLMYGCINBB-VHSXEESVSA-N	-1	0	382.402	0.868	20	5		GCBDRM
CC(C)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCO1	ZINC000824225792	609331835	/nfs/dbraw/zinc/33/18/35/609331835.db2.gz	VWIOCAYZMBZKEO-NSHDSACASA-N	-1	0	382.402	0.820	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)nc1	ZINC000826450504	609404539	/nfs/dbraw/zinc/40/45/39/609404539.db2.gz	PGBNBQROUPKKRV-UHFFFAOYSA-N	-1	0	393.316	0.428	20	5		GCBDRM
C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-]	ZINC000263513752	639169436	/nfs/dbraw/zinc/16/94/36/639169436.db2.gz	YVIHEQWICUUTNZ-SNVBAGLBSA-N	-1	0	383.176	0.471	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1sccc1-n1cnnn1	ZINC000732623496	639812871	/nfs/dbraw/zinc/81/28/71/639812871.db2.gz	UGXZIDYHVFOKKP-UHFFFAOYSA-N	-1	0	386.396	0.812	20	5		GCBDRM
CS(=O)(=O)Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)o1	ZINC000732618924	639812993	/nfs/dbraw/zinc/81/29/93/639812993.db2.gz	LETNCUDCNDTGSW-UHFFFAOYSA-N	-1	0	394.408	0.913	20	5		GCBDRM
C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)CS2	ZINC000732619960	639813046	/nfs/dbraw/zinc/81/30/46/639813046.db2.gz	FXYXHQLPFZMXSZ-PELKAZGASA-N	-1	0	391.452	0.915	20	5		GCBDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[nH]c1=O	ZINC000916754306	639834431	/nfs/dbraw/zinc/83/44/31/639834431.db2.gz	UYVZBVLOSQPBOI-UHFFFAOYSA-N	-1	0	388.745	0.166	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@]12CCC(=O)N1CCS2	ZINC000917446385	639852118	/nfs/dbraw/zinc/85/21/18/639852118.db2.gz	PJAFKPUSSXRIEO-ZDUSSCGKSA-N	-1	0	389.386	0.604	20	5		GCBDRM
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O	ZINC000920333503	639920667	/nfs/dbraw/zinc/92/06/67/639920667.db2.gz	NKVSALHBHLKPPD-QMMMGPOBSA-N	-1	0	375.790	0.922	20	5		GCBDRM
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000734971667	640006655	/nfs/dbraw/zinc/00/66/55/640006655.db2.gz	USMXICOJWWCFJN-UHFFFAOYSA-N	-1	0	387.395	0.456	20	5		GCBDRM
COC(=O)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(Br)c1C	ZINC000838799750	640189216	/nfs/dbraw/zinc/18/92/16/640189216.db2.gz	FLWHKFOHJGVQJP-UHFFFAOYSA-N	-1	0	395.187	0.898	20	5		GCBDRM
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)COCCOCC	ZINC000838933923	640198598	/nfs/dbraw/zinc/19/85/98/640198598.db2.gz	MVPCEJFDNAONQG-UHFFFAOYSA-N	-1	0	375.403	0.885	20	5		GCBDRM
CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)COCCCOC	ZINC000838936015	640198643	/nfs/dbraw/zinc/19/86/43/640198643.db2.gz	MCWMVJHXILHSPR-UHFFFAOYSA-N	-1	0	375.403	0.885	20	5		GCBDRM
Cc1ccc(S(=O)(=O)[N-]c2ccn(CCS(C)(=O)=O)n2)cc1[N+](=O)[O-]	ZINC000741201803	640222619	/nfs/dbraw/zinc/22/26/19/640222619.db2.gz	REEOHVKPVIFZON-UHFFFAOYSA-N	-1	0	388.427	0.945	20	5		GCBDRM
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1	ZINC000747287230	640308517	/nfs/dbraw/zinc/30/85/17/640308517.db2.gz	VBNJGDUZMQSFHI-UHFFFAOYSA-N	-1	0	380.264	0.105	20	5		GCBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000747751084	640315395	/nfs/dbraw/zinc/31/53/95/640315395.db2.gz	DWIHFIQSPJREDX-JTQLQIEISA-N	-1	0	375.428	0.769	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)COC2CCOCC2)cc1[N+](=O)[O-]	ZINC000754680456	640458059	/nfs/dbraw/zinc/45/80/59/640458059.db2.gz	GEDIYGKKSSDNRH-UHFFFAOYSA-N	-1	0	393.805	0.831	20	5		GCBDRM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)n1	ZINC000755778479	640474962	/nfs/dbraw/zinc/47/49/62/640474962.db2.gz	KSDGVNAYFGWQNN-UHFFFAOYSA-N	-1	0	375.344	0.900	20	5		GCBDRM
Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000756215468	640487170	/nfs/dbraw/zinc/48/71/70/640487170.db2.gz	CILRNPLCZJQOKF-UHFFFAOYSA-N	-1	0	386.773	0.804	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2F)c([N+](=O)[O-])n1	ZINC000756930890	640497618	/nfs/dbraw/zinc/49/76/18/640497618.db2.gz	JRHUJRHQYWWWRA-UHFFFAOYSA-N	-1	0	393.378	0.399	20	5		GCBDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-]	ZINC000757329398	640506703	/nfs/dbraw/zinc/50/67/03/640506703.db2.gz	BGZXKEMGDRFEQA-UHFFFAOYSA-N	-1	0	393.443	0.878	20	5		GCBDRM
NS(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000805145802	640513162	/nfs/dbraw/zinc/51/31/62/640513162.db2.gz	YGMGHTPOKZQYQU-UHFFFAOYSA-N	-1	0	389.386	0.860	20	5		GCBDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000764207458	640642052	/nfs/dbraw/zinc/64/20/52/640642052.db2.gz	LNYGQCPGGZANMD-QMMMGPOBSA-N	-1	0	380.400	0.093	20	5		GCBDRM
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000766509217	640698241	/nfs/dbraw/zinc/69/82/41/640698241.db2.gz	ZRKDJDKIXCVSBB-UHFFFAOYSA-N	-1	0	387.761	0.547	20	5		GCBDRM
COCCCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000766972322	640712517	/nfs/dbraw/zinc/71/25/17/640712517.db2.gz	FSASOETVOOSLMJ-UHFFFAOYSA-N	-1	0	394.427	0.485	20	5		GCBDRM
O=C([N-]S(=O)(=O)N1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000770586945	640809817	/nfs/dbraw/zinc/80/98/17/640809817.db2.gz	YXYFPARSDQWEBC-UHFFFAOYSA-N	-1	0	394.203	0.664	20	5		GCBDRM
COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000770770916	640814005	/nfs/dbraw/zinc/81/40/05/640814005.db2.gz	CYCAAGSDUJJBBG-UHFFFAOYSA-N	-1	0	380.375	0.835	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CN(C)[C@@H]2CCSC2)c([N+](=O)[O-])c1	ZINC000773942812	640872505	/nfs/dbraw/zinc/87/25/05/640872505.db2.gz	HBCUZAXTRTWYOS-SNVBAGLBSA-N	-1	0	389.455	0.846	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)CN(C)[C@@H]2CCSC2)ccc1[N+](=O)[O-]	ZINC000774183811	640879886	/nfs/dbraw/zinc/87/98/86/640879886.db2.gz	LYJMVCCDIRRWIN-SNVBAGLBSA-N	-1	0	389.455	0.846	20	5		GCBDRM
O=C([O-])COCCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000776583769	641103941	/nfs/dbraw/zinc/10/39/41/641103941.db2.gz	KYMIEZFYEQWCQS-UHFFFAOYSA-N	-1	0	383.176	0.737	20	5		GCBDRM
O=C([O-])CCN(CCO)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000776678849	641110395	/nfs/dbraw/zinc/11/03/95/641110395.db2.gz	KCYSCWSRWRCJNN-UHFFFAOYSA-N	-1	0	397.203	0.815	20	5		GCBDRM
Cc1cc(Cl)c(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000776714103	641113856	/nfs/dbraw/zinc/11/38/56/641113856.db2.gz	GDMCQYNUEWALLP-DJNLSKAYSA-N	-1	0	396.830	0.763	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1	ZINC000776716169	641114827	/nfs/dbraw/zinc/11/48/27/641114827.db2.gz	SSMNWIZKPWSIMA-RKDXNWHRSA-N	-1	0	389.411	0.352	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000779228629	641182658	/nfs/dbraw/zinc/18/26/58/641182658.db2.gz	HTOPNLOKXUKLKV-UHFFFAOYSA-N	-1	0	376.343	0.046	20	5		GCBDRM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc([N+](=O)[O-])c1	ZINC000780608726	641211966	/nfs/dbraw/zinc/21/19/66/641211966.db2.gz	FKYGRILDSZSHNM-NSHDSACASA-N	-1	0	392.411	0.237	20	5		GCBDRM
COc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cnnn2C)cc1SC	ZINC000781728097	641234648	/nfs/dbraw/zinc/23/46/48/641234648.db2.gz	FLAGTMDMOXBJTL-UHFFFAOYSA-N	-1	0	387.399	0.573	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCS(=O)(=O)C1	ZINC000789484711	641390747	/nfs/dbraw/zinc/39/07/47/641390747.db2.gz	SYJVMFCOBUCHRT-SNVBAGLBSA-N	-1	0	376.412	0.533	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCCS1(=O)=O	ZINC000791775564	641436953	/nfs/dbraw/zinc/43/69/53/641436953.db2.gz	KJHABDJVEVNXON-LLVKDONJSA-N	-1	0	380.375	0.506	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCCS1(=O)=O	ZINC000791775573	641436963	/nfs/dbraw/zinc/43/69/63/641436963.db2.gz	KJHABDJVEVNXON-NSHDSACASA-N	-1	0	380.375	0.506	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)ccc1[N+](=O)[O-]	ZINC000791829708	641438615	/nfs/dbraw/zinc/43/86/15/641438615.db2.gz	AEECHBOICAALGS-GFCCVEGCSA-N	-1	0	392.411	0.376	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCS1(=O)=O	ZINC000791831606	641439228	/nfs/dbraw/zinc/43/92/28/641439228.db2.gz	OLPMHQLFPSAOHM-NSHDSACASA-N	-1	0	380.375	0.506	20	5		GCBDRM
CNc1c(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)cccc1[N+](=O)[O-]	ZINC000793143514	641464639	/nfs/dbraw/zinc/46/46/39/641464639.db2.gz	LUQQSPSQJBIUGA-UHFFFAOYSA-N	-1	0	384.395	0.916	20	5		GCBDRM
CN(CC(=O)[N-]S(=O)(=O)C1(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000806030057	641475555	/nfs/dbraw/zinc/47/55/55/641475555.db2.gz	WGBFYQCSCAUZLC-UHFFFAOYSA-N	-1	0	391.427	0.214	20	5		GCBDRM
Cc1nnc(COCC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1	ZINC000796736467	641547636	/nfs/dbraw/zinc/54/76/36/641547636.db2.gz	DXBDOZXBJQSJHV-UHFFFAOYSA-N	-1	0	386.411	0.918	20	5		GCBDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000797279549	641561823	/nfs/dbraw/zinc/56/18/23/641561823.db2.gz	CLDIIKFPNUUACO-ZCFIWIBFSA-N	-1	0	382.297	0.817	20	5		GCBDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000797296005	641564594	/nfs/dbraw/zinc/56/45/94/641564594.db2.gz	VLIZVKJDCXHRBM-LURJTMIESA-N	-1	0	382.297	0.817	20	5		GCBDRM
COc1cc(S(=O)(=O)N=c2nc(C(F)(F)F)[n-]n2C)ccc1[N+](=O)[O-]	ZINC000808553943	641691950	/nfs/dbraw/zinc/69/19/50/641691950.db2.gz	VGVDTYQZVSNPFJ-UHFFFAOYSA-N	-1	0	381.292	0.973	20	5		GCBDRM
Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cc1[N+](=O)[O-]	ZINC000810596485	641734190	/nfs/dbraw/zinc/73/41/90/641734190.db2.gz	VGTBIGXDZNVKMY-UHFFFAOYSA-N	-1	0	387.761	0.538	20	5		GCBDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000811137097	641748982	/nfs/dbraw/zinc/74/89/82/641748982.db2.gz	UDJABOFQXVDNBR-UHFFFAOYSA-N	-1	0	376.391	0.135	20	5		GCBDRM
CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)n1	ZINC000815961471	641837953	/nfs/dbraw/zinc/83/79/53/641837953.db2.gz	QFQAOOQDBYEWMC-UHFFFAOYSA-N	-1	0	388.793	0.869	20	5		GCBDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000817874515	641890931	/nfs/dbraw/zinc/89/09/31/641890931.db2.gz	GXIIGSLUPKRAND-LLVKDONJSA-N	-1	0	391.789	0.370	20	5		GCBDRM
CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000802129502	642144116	/nfs/dbraw/zinc/14/41/16/642144116.db2.gz	XOPJTMVXTAONNB-SNVBAGLBSA-N	-1	0	392.411	0.237	20	5		GCBDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000802229539	642149676	/nfs/dbraw/zinc/14/96/76/642149676.db2.gz	UAOPISAZLUFGPS-QMMMGPOBSA-N	-1	0	380.400	0.093	20	5		GCBDRM
Cc1ncsc1CCS(=O)(=O)[N-]C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000803022622	642167847	/nfs/dbraw/zinc/16/78/47/642167847.db2.gz	OGVCGCFNNPTDDH-UHFFFAOYSA-N	-1	0	387.443	0.980	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CS(=O)(=O)C2CC2)cc([N+](=O)[O-])c1C	ZINC000835032525	642221055	/nfs/dbraw/zinc/22/10/55/642221055.db2.gz	BDORYMMVXJUOMY-UHFFFAOYSA-N	-1	0	376.412	0.594	20	5		GCBDRM
CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000837291406	642269947	/nfs/dbraw/zinc/26/99/47/642269947.db2.gz	MRJSPJPZEUFGND-QMMMGPOBSA-N	-1	0	395.415	0.913	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000842362458	642334443	/nfs/dbraw/zinc/33/44/43/642334443.db2.gz	JYCOGBAETULPQR-IYSWYEEDSA-N	-1	0	384.595	0.968	20	5		GCBDRM
Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1C	ZINC000847893053	642524424	/nfs/dbraw/zinc/52/44/24/642524424.db2.gz	LTBGMYABXGOQDA-UHFFFAOYSA-N	-1	0	386.411	0.725	20	5		GCBDRM
CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847893972	642524481	/nfs/dbraw/zinc/52/44/81/642524481.db2.gz	VLOOEXOXJBRYDB-UHFFFAOYSA-N	-1	0	386.415	0.759	20	5		GCBDRM
O=C(CCS(=O)(=O)C1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847893083	642524522	/nfs/dbraw/zinc/52/45/22/642524522.db2.gz	MIRJDTLHGJOWSF-UHFFFAOYSA-N	-1	0	391.427	0.542	20	5		GCBDRM
C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CS2	ZINC000847892869	642524537	/nfs/dbraw/zinc/52/45/37/642524537.db2.gz	IUHZDEFNLUZNIP-NOZJJQNGSA-N	-1	0	386.411	0.249	20	5		GCBDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000850861513	642700186	/nfs/dbraw/zinc/70/01/86/642700186.db2.gz	JAUGIVGJLHAIRH-VIFPVBQESA-N	-1	0	397.203	0.824	20	5		GCBDRM
C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000850888057	642701119	/nfs/dbraw/zinc/70/11/19/642701119.db2.gz	HBWHCEKWBQOZBN-ZETCQYMHSA-N	-1	0	389.390	0.848	20	5		GCBDRM
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1	ZINC000851328242	642716880	/nfs/dbraw/zinc/71/68/80/642716880.db2.gz	ACMHSFUOCBTKOZ-UHFFFAOYSA-N	-1	0	377.400	0.010	20	5		GCBDRM
O=C([N-]S(=O)(=O)CC(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000851360556	642717877	/nfs/dbraw/zinc/71/78/77/642717877.db2.gz	GATYWZWRJUJLLW-ZETCQYMHSA-N	-1	0	381.313	0.504	20	5		GCBDRM
O=C([N-]S(=O)(=O)CC(F)F)c1cccc([N+](=O)[O-])c1N1CCOCC1	ZINC000851361656	642718565	/nfs/dbraw/zinc/71/85/65/642718565.db2.gz	QIRDWKSRSLATHE-UHFFFAOYSA-N	-1	0	379.341	0.756	20	5		GCBDRM
COCC(COC)S(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000851498697	642723109	/nfs/dbraw/zinc/72/31/09/642723109.db2.gz	DZCYMWNKMUKYHY-UHFFFAOYSA-N	-1	0	376.343	0.045	20	5		GCBDRM
CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1	ZINC000854592137	642838885	/nfs/dbraw/zinc/83/88/85/642838885.db2.gz	GGOAAPABQGHQQL-UHFFFAOYSA-N	-1	0	377.400	0.184	20	5		GCBDRM
C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000859176492	642984482	/nfs/dbraw/zinc/98/44/82/642984482.db2.gz	VTNXPVJUNGPNGV-BDAKNGLRSA-N	-1	0	377.423	0.908	20	5		GCBDRM
COC(=O)c1nc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Cl	ZINC000859219734	642988705	/nfs/dbraw/zinc/98/87/05/642988705.db2.gz	GPAUFGZUHIYNBT-UHFFFAOYSA-N	-1	0	389.777	0.642	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cn(C[C@@H]2CCOC2)nn1	ZINC000860541064	643036528	/nfs/dbraw/zinc/03/65/28/643036528.db2.gz	QZFGZWGMXZNYJK-QMMMGPOBSA-N	-1	0	387.399	0.403	20	5		GCBDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])O1	ZINC000860596609	643038274	/nfs/dbraw/zinc/03/82/74/643038274.db2.gz	OVSCPJBUHIBJJY-ZJUUUORDSA-N	-1	0	376.318	0.259	20	5		GCBDRM
CCOC(=O)N1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC000274506793	1184080626	/nfs/dbraw/zinc/08/06/26/1184080626.db2.gz	MCJOGTHLVAJOJX-JTQLQIEISA-N	-1	0	387.370	0.802	20	5		GCBDRM
CN(CC(N)=O)C(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000047109386	1184290417	/nfs/dbraw/zinc/29/04/17/1184290417.db2.gz	DEOHRTOQMJECBZ-UHFFFAOYSA-N	-1	0	392.393	0.953	20	5		GCBDRM
Cn1c2ncn(CCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c2c(=O)n(C)c1=O	ZINC000274849915	1184402792	/nfs/dbraw/zinc/40/27/92/1184402792.db2.gz	ATDULLOWGZFGAC-UHFFFAOYSA-N	-1	0	388.340	0.076	20	5		GCBDRM
O=C([O-])CC[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000274937271	1184435674	/nfs/dbraw/zinc/43/56/74/1184435674.db2.gz	FOPGWZUNZMXHGA-GFCCVEGCSA-N	-1	0	387.414	0.439	20	5		GCBDRM
O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000274950917	1184437608	/nfs/dbraw/zinc/43/76/08/1184437608.db2.gz	AIFHCYZTZOTQPN-LLVKDONJSA-N	-1	0	397.409	0.681	20	5		GCBDRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1C	ZINC000274962499	1184440692	/nfs/dbraw/zinc/44/06/92/1184440692.db2.gz	BOEBNCAKBKLETO-ZYHUDNBSSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1C	ZINC000275006789	1184455491	/nfs/dbraw/zinc/45/54/91/1184455491.db2.gz	PFAWQSQBLVAZGR-NSHDSACASA-N	-1	0	385.398	0.423	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(N)=O	ZINC000275086404	1184503034	/nfs/dbraw/zinc/50/30/34/1184503034.db2.gz	JMHIIONSNAXKOZ-PWSUYJOCSA-N	-1	0	385.398	0.551	20	5		GCBDRM
O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000275088708	1184503893	/nfs/dbraw/zinc/50/38/93/1184503893.db2.gz	JWVVCDAWCIWLFZ-JSGCOSHPSA-N	-1	0	397.409	0.432	20	5		GCBDRM
NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000275102622	1184508535	/nfs/dbraw/zinc/50/85/35/1184508535.db2.gz	LVDPSSMKQRQCSV-DGCLKSJQSA-N	-1	0	385.398	0.118	20	5		GCBDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000275110358	1184517471	/nfs/dbraw/zinc/51/74/71/1184517471.db2.gz	MSMYPHBPIIBBHK-SECBINFHSA-N	-1	0	390.370	0.492	20	5		GCBDRM
COc1cc(S(=O)(=O)N[C@@H](Cc2cnn(C)c2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000275168887	1184539752	/nfs/dbraw/zinc/53/97/52/1184539752.db2.gz	BSTHJFPNKIVKCQ-NSHDSACASA-N	-1	0	384.370	0.311	20	5		GCBDRM
COCCn1cc(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cn1	ZINC000275175955	1184541004	/nfs/dbraw/zinc/54/10/04/1184541004.db2.gz	CRHSZUAMFINNSG-CQSZACIVSA-N	-1	0	398.397	0.412	20	5		GCBDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1C	ZINC000275206364	1184552823	/nfs/dbraw/zinc/55/28/23/1184552823.db2.gz	ZIZKNGXAJZHPFJ-PWSUYJOCSA-N	-1	0	385.398	0.551	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000275211732	1184553731	/nfs/dbraw/zinc/55/37/31/1184553731.db2.gz	ZTKRVXTYZMAIGJ-WCQYABFASA-N	-1	0	397.409	0.599	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000275301033	1184591985	/nfs/dbraw/zinc/59/19/85/1184591985.db2.gz	QMHPHHNJMZMOCD-LLVKDONJSA-N	-1	0	384.370	0.311	20	5		GCBDRM
CCn1cc(S(=O)(=O)NC[C@H](Cc2cccnc2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547890213	1184734936	/nfs/dbraw/zinc/73/49/36/1184734936.db2.gz	UGDSTUUEEJPKCR-NSHDSACASA-N	-1	0	383.386	0.428	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000262079867	1185315263	/nfs/dbraw/zinc/31/52/63/1185315263.db2.gz	BJGYWCXJPVDYSX-GFCCVEGCSA-N	-1	0	379.369	0.755	20	5		GCBDRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000262181184	1185394059	/nfs/dbraw/zinc/39/40/59/1185394059.db2.gz	MKOIOGXIBNRWTJ-CYBMUJFWSA-N	-1	0	392.412	0.813	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000548207977	1185884603	/nfs/dbraw/zinc/88/46/03/1185884603.db2.gz	QSTZZJGNYUBTSS-LLVKDONJSA-N	-1	0	384.370	0.540	20	5		GCBDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000548212829	1185887039	/nfs/dbraw/zinc/88/70/39/1185887039.db2.gz	ICSODHPWMAWCHV-NSHDSACASA-N	-1	0	385.398	0.369	20	5		GCBDRM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000262410526	1186268118	/nfs/dbraw/zinc/26/81/18/1186268118.db2.gz	SKIROZCQUONZKL-LLVKDONJSA-N	-1	0	387.414	0.812	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1[N+](=O)[O-]	ZINC000277233188	1186300626	/nfs/dbraw/zinc/30/06/26/1186300626.db2.gz	JLUGRTSTHLRRMS-LLVKDONJSA-N	-1	0	385.398	0.423	20	5		GCBDRM
Cc1cnn(C[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000548531643	1186303104	/nfs/dbraw/zinc/30/31/04/1186303104.db2.gz	ZUJMBEPMEFFVMX-ZDUSSCGKSA-N	-1	0	382.398	0.715	20	5		GCBDRM
Cc1ccc(C)c(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277248408	1186305247	/nfs/dbraw/zinc/30/52/47/1186305247.db2.gz	LJIHXPJPSZWBHE-GFCCVEGCSA-N	-1	0	387.414	0.275	20	5		GCBDRM
C[C@@H](CN(C)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000277261190	1186309719	/nfs/dbraw/zinc/30/97/19/1186309719.db2.gz	NFJBAXXYNTUWRP-VIFPVBQESA-N	-1	0	387.370	0.893	20	5		GCBDRM
Cc1ccc(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548556384	1186315737	/nfs/dbraw/zinc/31/57/37/1186315737.db2.gz	GMRAYCJXFJXSEJ-GFCCVEGCSA-N	-1	0	382.398	0.859	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000277311474	1186328574	/nfs/dbraw/zinc/32/85/74/1186328574.db2.gz	SWSIBEHESNSVHB-JTQLQIEISA-N	-1	0	389.342	0.594	20	5		GCBDRM
COC[C@@]1(C(=O)[O-])CCCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC000262930220	1186329224	/nfs/dbraw/zinc/32/92/24/1186329224.db2.gz	OVVFNEPXXYOLBN-GOSISDBHSA-N	-1	0	393.396	0.973	20	5		GCBDRM
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548589343	1186329817	/nfs/dbraw/zinc/32/98/17/1186329817.db2.gz	MRNSCYYWGRNDJW-LBPRGKRZSA-N	-1	0	382.398	0.919	20	5		GCBDRM
O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NS(=O)(=O)c1cnc2n1CCC2	ZINC000548590314	1186330215	/nfs/dbraw/zinc/33/02/15/1186330215.db2.gz	UQJBCLMMNSIURF-NSHDSACASA-N	-1	0	380.382	0.712	20	5		GCBDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000263038164	1186339752	/nfs/dbraw/zinc/33/97/52/1186339752.db2.gz	VKWDXJBHRYTNIW-DIFFPNOSSA-N	-1	0	379.369	0.663	20	5		GCBDRM
C[C@@]1(C(=O)[O-])CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000263360634	1186389212	/nfs/dbraw/zinc/38/92/12/1186389212.db2.gz	YHUKRHQFPSDWSN-MRXNPFEDSA-N	-1	0	399.425	0.977	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1	ZINC000478599372	1186523835	/nfs/dbraw/zinc/52/38/35/1186523835.db2.gz	ZWLJUAAOAGEKLY-GFCCVEGCSA-N	-1	0	397.409	0.987	20	5		GCBDRM
CCCc1n[nH]c(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1[N+](=O)[O-]	ZINC000479001703	1186548139	/nfs/dbraw/zinc/54/81/39/1186548139.db2.gz	PGKAHZCLMHBSPW-PWSUYJOCSA-N	-1	0	381.389	0.710	20	5		GCBDRM
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1=O	ZINC000478979050	1186549009	/nfs/dbraw/zinc/54/90/09/1186549009.db2.gz	FXCGANKSBUBBIH-MLGOLLRUSA-N	-1	0	392.412	0.857	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](Nc3ncccn3)C2)ccc1[N+](=O)[O-]	ZINC000582730659	1186631795	/nfs/dbraw/zinc/63/17/95/1186631795.db2.gz	MSFZURIZMCSSEY-SNVBAGLBSA-N	-1	0	393.381	0.958	20	5		GCBDRM
O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000582847871	1186711195	/nfs/dbraw/zinc/71/11/95/1186711195.db2.gz	ARXLDKGTANUMLB-XHDPSFHLSA-N	-1	0	386.382	0.909	20	5		GCBDRM
CCOC(=O)c1nc(C)n(C)c1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000573029524	1186992028	/nfs/dbraw/zinc/99/20/28/1186992028.db2.gz	HXKOLOIMJHBAKA-UHFFFAOYSA-N	-1	0	386.390	0.831	20	5		GCBDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000584329036	1187032221	/nfs/dbraw/zinc/03/22/21/1187032221.db2.gz	YOYGPIWEPNCPAE-NHYWBVRUSA-N	-1	0	386.382	0.715	20	5		GCBDRM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(-n3cccn3)c(F)c2)n1	ZINC000780381786	1187050245	/nfs/dbraw/zinc/05/02/45/1187050245.db2.gz	OIKIPSBNWZUYDL-UHFFFAOYSA-N	-1	0	394.344	0.772	20	5		GCBDRM
CCCc1nc(=NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])s[n-]1	ZINC000411133125	1187462659	/nfs/dbraw/zinc/46/26/59/1187462659.db2.gz	JRRVHNHAASWLAO-UHFFFAOYSA-N	-1	0	378.414	0.988	20	5		GCBDRM
O=C([O-])c1ccn(-c2cccc(CNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2)n1	ZINC000376021181	1187549494	/nfs/dbraw/zinc/54/94/94/1187549494.db2.gz	ZOLBZBGVLKIQSE-UHFFFAOYSA-N	-1	0	397.347	0.957	20	5		GCBDRM
CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1=O	ZINC000581944261	1187728406	/nfs/dbraw/zinc/72/84/06/1187728406.db2.gz	ZDUJAMXLAXNUCC-JTQLQIEISA-N	-1	0	385.398	0.971	20	5		GCBDRM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c1	ZINC000414334696	1187836257	/nfs/dbraw/zinc/83/62/57/1187836257.db2.gz	GGPMATHACQULID-MNOVXSKESA-N	-1	0	383.382	0.725	20	5		GCBDRM
CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1=O	ZINC000414347417	1187844074	/nfs/dbraw/zinc/84/40/74/1187844074.db2.gz	QYBQTNCPUMHHBL-SECBINFHSA-N	-1	0	385.354	0.107	20	5		GCBDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCC(N)=O	ZINC000066696297	1187924354	/nfs/dbraw/zinc/92/43/54/1187924354.db2.gz	ZFURCEBEYLMQKW-UHFFFAOYSA-N	-1	0	392.393	0.919	20	5		GCBDRM
O=C([O-])C(=O)N1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1	ZINC000565046588	1188059510	/nfs/dbraw/zinc/05/95/10/1188059510.db2.gz	LTHOBTUWBXQUFJ-UHFFFAOYSA-N	-1	0	378.341	0.122	20	5		GCBDRM
COC(=O)c1cnc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1	ZINC000416448427	1189520372	/nfs/dbraw/zinc/52/03/72/1189520372.db2.gz	UEMLQHWHLAPTPL-CMPLNLGQSA-N	-1	0	380.357	0.898	20	5		GCBDRM
COCc1nc(=NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s[n-]1	ZINC000544110127	1189524047	/nfs/dbraw/zinc/52/40/47/1189524047.db2.gz	QZOKPRPZYOOUSH-UHFFFAOYSA-N	-1	0	377.338	0.249	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000417449150	1189664770	/nfs/dbraw/zinc/66/47/70/1189664770.db2.gz	XNDHLFFXFWXLHN-KGLIPLIRSA-N	-1	0	399.425	0.724	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000417444156	1189665141	/nfs/dbraw/zinc/66/51/41/1189665141.db2.gz	BYVHUOGYLKUNMH-OLZOCXBDSA-N	-1	0	385.398	0.583	20	5		GCBDRM
Cc1cc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1[N+](=O)[O-]	ZINC000417445886	1189665947	/nfs/dbraw/zinc/66/59/47/1189665947.db2.gz	ISFCLOMYRTXLOO-GXTWGEPZSA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417446114	1189666589	/nfs/dbraw/zinc/66/65/89/1189666589.db2.gz	JQYXMYMMWQIWJS-WCQYABFASA-N	-1	0	399.425	0.892	20	5		GCBDRM
Cc1ccc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1[N+](=O)[O-]	ZINC000417448830	1189666887	/nfs/dbraw/zinc/66/68/87/1189666887.db2.gz	WOBLMAGVXMPQBP-GXTWGEPZSA-N	-1	0	399.425	0.892	20	5		GCBDRM
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000417447406	1189666959	/nfs/dbraw/zinc/66/69/59/1189666959.db2.gz	PJXOCRPHFPKJFK-MFKMUULPSA-N	-1	0	385.398	0.583	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CN(C)c2ccccc2[N+](=O)[O-])cn1	ZINC000759825599	1189764443	/nfs/dbraw/zinc/76/44/43/1189764443.db2.gz	UPIPJRCTBJZOIB-UHFFFAOYSA-N	-1	0	380.382	0.940	20	5		GCBDRM
COc1cc(CCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000420538870	1194234132	/nfs/dbraw/zinc/23/41/32/1194234132.db2.gz	RGNQBXRTJBNQEG-SNVBAGLBSA-N	-1	0	397.384	0.450	20	5		GCBDRM
COc1cc(CCNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC	ZINC000420532177	1194236540	/nfs/dbraw/zinc/23/65/40/1194236540.db2.gz	JUFYDCMHXZTELF-LLVKDONJSA-N	-1	0	395.368	0.204	20	5		GCBDRM
CCCN1C[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1=O	ZINC000421810455	1194365605	/nfs/dbraw/zinc/36/56/05/1194365605.db2.gz	FJAOMNHXARVNNT-SNVBAGLBSA-N	-1	0	385.398	0.830	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC000422667800	1194685365	/nfs/dbraw/zinc/68/53/65/1194685365.db2.gz	AJKRCLYJDYQRTG-QMMMGPOBSA-N	-1	0	384.320	0.110	20	5		GCBDRM
CC(=O)NCCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H](C)C(=O)[O-]	ZINC000422674226	1194687009	/nfs/dbraw/zinc/68/70/09/1194687009.db2.gz	WAHOWOXFSIELBR-NSHDSACASA-N	-1	0	394.384	0.588	20	5		GCBDRM
C[C@@H](CN(C)C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)[O-]	ZINC000422688255	1194691566	/nfs/dbraw/zinc/69/15/66/1194691566.db2.gz	MHEVDNLBAZGNMI-VIFPVBQESA-N	-1	0	381.341	0.874	20	5		GCBDRM
COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000422693350	1194692388	/nfs/dbraw/zinc/69/23/88/1194692388.db2.gz	VSNBWYXNOLPCIM-QMMMGPOBSA-N	-1	0	381.341	0.807	20	5		GCBDRM
COc1ccc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000422724039	1194694501	/nfs/dbraw/zinc/69/45/01/1194694501.db2.gz	UDYJORWQRFCOPV-ZYHUDNBSSA-N	-1	0	379.369	0.789	20	5		GCBDRM
CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1C	ZINC000504294132	1194776269	/nfs/dbraw/zinc/77/62/69/1194776269.db2.gz	ZGBHMRRWJCEXDU-UHFFFAOYSA-N	-1	0	383.386	0.655	20	5		GCBDRM
CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1C	ZINC000504304859	1194778995	/nfs/dbraw/zinc/77/89/95/1194778995.db2.gz	QFEIRNIDFDWOGI-UHFFFAOYSA-N	-1	0	383.386	0.655	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCS1(=O)=O	ZINC000424232210	1194806337	/nfs/dbraw/zinc/80/63/37/1194806337.db2.gz	BYKFFDREEQYYQX-CYBMUJFWSA-N	-1	0	394.365	0.104	20	5		GCBDRM
COc1cc(C(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1OC	ZINC000424233266	1194806434	/nfs/dbraw/zinc/80/64/34/1194806434.db2.gz	PLPZQSCZISRMHW-VIFPVBQESA-N	-1	0	393.312	0.018	20	5		GCBDRM
O=C([O-])[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O	ZINC000424419189	1194810809	/nfs/dbraw/zinc/81/08/09/1194810809.db2.gz	XICCKRYNOQSSEX-CQSZACIVSA-N	-1	0	399.425	0.811	20	5		GCBDRM
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000514675123	1194893716	/nfs/dbraw/zinc/89/37/16/1194893716.db2.gz	JXTKTYZNPBZUBM-SNVBAGLBSA-N	-1	0	384.776	0.421	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)c([N+](=O)[O-])n1	ZINC000435722277	1194960419	/nfs/dbraw/zinc/96/04/19/1194960419.db2.gz	MIGSWDBUZKOISL-UHFFFAOYSA-N	-1	0	378.374	0.896	20	5		GCBDRM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@]2(CCOC2)C1	ZINC000515304449	1194965349	/nfs/dbraw/zinc/96/53/49/1194965349.db2.gz	MWYPBLKFJVUHQD-HNNXBMFYSA-N	-1	0	386.382	0.781	20	5		GCBDRM
CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1O	ZINC000436714639	1195029141	/nfs/dbraw/zinc/02/91/41/1195029141.db2.gz	MTOAMSAKDOWEAI-DZGCQCFKSA-N	-1	0	395.412	0.759	20	5		GCBDRM
CCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000516186003	1195031713	/nfs/dbraw/zinc/03/17/13/1195031713.db2.gz	UNNDSJPPLFNSNC-GWCFXTLKSA-N	-1	0	385.398	0.496	20	5		GCBDRM
CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1O	ZINC000436796685	1195037554	/nfs/dbraw/zinc/03/75/54/1195037554.db2.gz	KLJTUPLOGPYMAR-DZGCQCFKSA-N	-1	0	395.412	0.759	20	5		GCBDRM
O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436960441	1195049802	/nfs/dbraw/zinc/04/98/02/1195049802.db2.gz	QMPVGCJJWADUPG-UHFFFAOYSA-N	-1	0	398.375	0.802	20	5		GCBDRM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436951423	1195050782	/nfs/dbraw/zinc/05/07/82/1195050782.db2.gz	QKIOJOLVHQWSSN-JTQLQIEISA-N	-1	0	385.398	0.066	20	5		GCBDRM
CC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1	ZINC000516574100	1195069766	/nfs/dbraw/zinc/06/97/66/1195069766.db2.gz	KLCZFONFVHWVBM-UHFFFAOYSA-N	-1	0	385.398	0.891	20	5		GCBDRM
O=C([O-])c1cc(S(=O)(=O)N2CCC3(CNC(=O)C3)CC2)ccc1[N+](=O)[O-]	ZINC000517155381	1195145710	/nfs/dbraw/zinc/14/57/10/1195145710.db2.gz	KKXYONXHZBJYQH-UHFFFAOYSA-N	-1	0	383.382	0.584	20	5		GCBDRM
CN1CCN(C(=O)Cn2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cn2)CC1	ZINC000506209571	1195207399	/nfs/dbraw/zinc/20/73/99/1195207399.db2.gz	VQKBPHZHTXBQBD-UHFFFAOYSA-N	-1	0	388.384	0.523	20	5		GCBDRM
O=C1CN(c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cn2)CCN1	ZINC000518073776	1195245360	/nfs/dbraw/zinc/24/53/60/1195245360.db2.gz	HJIUDWVRLFTABZ-UHFFFAOYSA-N	-1	0	395.372	0.866	20	5		GCBDRM
CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000507370546	1195514714	/nfs/dbraw/zinc/51/47/14/1195514714.db2.gz	JERPNMTVJOHIBU-MNOVXSKESA-N	-1	0	385.398	0.637	20	5		GCBDRM
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000294485047	1195810989	/nfs/dbraw/zinc/81/09/89/1195810989.db2.gz	XTZOPGQQQLRQMW-UHFFFAOYSA-N	-1	0	389.386	0.205	20	5		GCBDRM
Cc1cc(C(=O)NCC(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ccc1[N+](=O)[O-]	ZINC000507870667	1195867585	/nfs/dbraw/zinc/86/75/85/1195867585.db2.gz	BHNPCIXSTJZQHD-UHFFFAOYSA-N	-1	0	397.351	0.953	20	5		GCBDRM
CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000281411458	1196294613	/nfs/dbraw/zinc/29/46/13/1196294613.db2.gz	OEINCYMFDOMHSG-UHFFFAOYSA-N	-1	0	397.369	0.558	20	5		GCBDRM
COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS(=O)(=O)CC1	ZINC000440129699	1196451304	/nfs/dbraw/zinc/45/13/04/1196451304.db2.gz	HROFUQHJKDEPNN-UHFFFAOYSA-N	-1	0	386.382	0.541	20	5		GCBDRM
N=C(Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])SCCS(=O)(=O)[O-]	ZINC001168091588	1196739798	/nfs/dbraw/zinc/73/97/98/1196739798.db2.gz	YNMOKBUGXHTNSN-UHFFFAOYSA-N	-1	0	392.419	0.189	20	5		GCBDRM
Cn1cc(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C(=O)[O-]	ZINC000448545772	1196816559	/nfs/dbraw/zinc/81/65/59/1196816559.db2.gz	LRADEDBJQNWMPR-UHFFFAOYSA-N	-1	0	395.397	0.537	20	5		GCBDRM
NC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1	ZINC000023144676	1196823337	/nfs/dbraw/zinc/82/33/37/1196823337.db2.gz	UCXFUTRCEMOTGA-UHFFFAOYSA-N	-1	0	380.382	0.899	20	5		GCBDRM
COc1cccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000450513941	1196930554	/nfs/dbraw/zinc/93/05/54/1196930554.db2.gz	BMZHPXHDHADHFG-NSHDSACASA-N	-1	0	379.369	0.999	20	5		GCBDRM
COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2C)c([N+](=O)[O-])c1	ZINC000530488337	1196992218	/nfs/dbraw/zinc/99/22/18/1196992218.db2.gz	KOLLKOGSJIMNNA-CYBMUJFWSA-N	-1	0	384.370	0.750	20	5		GCBDRM
O=c1nc2[nH]cc(S(=O)(=O)NCc3cccc([N+](=O)[O-])c3)cc-2c(=O)[n-]1	ZINC000531450987	1197075313	/nfs/dbraw/zinc/07/53/13/1197075313.db2.gz	QZRRRSQZKMBTJU-UHFFFAOYSA-N	-1	0	377.338	0.823	20	5		GCBDRM
COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1	ZINC000760245783	1197245818	/nfs/dbraw/zinc/24/58/18/1197245818.db2.gz	ZUCFTLXJTPLABE-UHFFFAOYSA-N	-1	0	395.349	0.904	20	5		GCBDRM
O=C(CN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1)Nc1nncs1	ZINC000273557096	1199033449	/nfs/dbraw/zinc/03/34/49/1199033449.db2.gz	WAOMBHNJBJUZRR-UHFFFAOYSA-N	-1	0	392.397	0.548	20	5		GCBDRM
CC(C)(CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-]	ZINC000424482920	1199524253	/nfs/dbraw/zinc/52/42/53/1199524253.db2.gz	OHLIHTLSKLRKBR-UHFFFAOYSA-N	-1	0	392.412	0.861	20	5		GCBDRM
NS(=O)(=O)c1cccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000506774516	1200591069	/nfs/dbraw/zinc/59/10/69/1200591069.db2.gz	UTVUNLWIOPHSST-UHFFFAOYSA-N	-1	0	379.350	0.870	20	5		GCBDRM
CCn1cc(S(=O)(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)c([N+](=O)[O-])n1	ZINC000611107505	1201216668	/nfs/dbraw/zinc/21/66/68/1201216668.db2.gz	ZGQYBZCTDPEWFX-NSHDSACASA-N	-1	0	394.413	0.399	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000730658956	1201460070	/nfs/dbraw/zinc/46/00/70/1201460070.db2.gz	PXRJSOCAQLGKRN-UHFFFAOYSA-N	-1	0	397.307	0.773	20	5		GCBDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000730659180	1201460224	/nfs/dbraw/zinc/46/02/24/1201460224.db2.gz	ZVUNTHYKOAEHNW-UHFFFAOYSA-N	-1	0	398.335	0.112	20	5		GCBDRM
CCOCCS(=O)(=O)[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	ZINC000732509818	1201546902	/nfs/dbraw/zinc/54/69/02/1201546902.db2.gz	MKZGHLGBFRQKHD-UHFFFAOYSA-N	-1	0	383.386	0.580	20	5		GCBDRM
COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CCOC)cc1OC	ZINC000732523075	1201547377	/nfs/dbraw/zinc/54/73/77/1201547377.db2.gz	UQXOFEOXCPYHAN-UHFFFAOYSA-N	-1	0	392.386	0.335	20	5		GCBDRM
COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000732523212	1201547462	/nfs/dbraw/zinc/54/74/62/1201547462.db2.gz	NTERYQIXMQHJAU-AWEZNQCLSA-N	-1	0	399.425	0.600	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1	ZINC000732617668	1201550257	/nfs/dbraw/zinc/55/02/57/1201550257.db2.gz	PJBJGVXDYYGCSJ-UHFFFAOYSA-N	-1	0	395.397	0.402	20	5		GCBDRM
Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732618968	1201550616	/nfs/dbraw/zinc/55/06/16/1201550616.db2.gz	MOGTUMYUDMQQCK-UHFFFAOYSA-N	-1	0	398.378	0.923	20	5		GCBDRM
Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000733720380	1201604983	/nfs/dbraw/zinc/60/49/83/1201604983.db2.gz	FIZXGNHNYSTDFC-LBPRGKRZSA-N	-1	0	381.370	0.332	20	5		GCBDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000734089523	1201642014	/nfs/dbraw/zinc/64/20/14/1201642014.db2.gz	KMHCMZIYSKQJIO-UHFFFAOYSA-N	-1	0	397.369	0.188	20	5		GCBDRM
Cc1nn2c([n-]nc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc1=O	ZINC000734234952	1201646216	/nfs/dbraw/zinc/64/62/16/1201646216.db2.gz	GXZPRJBTBVSXLJ-UHFFFAOYSA-N	-1	0	379.333	0.899	20	5		GCBDRM
COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1=O	ZINC000734737557	1201661728	/nfs/dbraw/zinc/66/17/28/1201661728.db2.gz	MTZBEMDUHOVTAL-UHFFFAOYSA-N	-1	0	395.393	0.830	20	5		GCBDRM
COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1=O	ZINC000734735257	1201662414	/nfs/dbraw/zinc/66/24/14/1201662414.db2.gz	BGODHXKEGVZIGU-LLVKDONJSA-N	-1	0	385.398	0.203	20	5		GCBDRM
Cn1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1[N+](=O)[O-]	ZINC000735406042	1201688308	/nfs/dbraw/zinc/68/83/08/1201688308.db2.gz	UTZXHTXZFVZYRQ-UHFFFAOYSA-N	-1	0	378.366	0.338	20	5		GCBDRM
CCC[C@@H](NC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)c1nnn[n-]1	ZINC000736430474	1201714886	/nfs/dbraw/zinc/71/48/86/1201714886.db2.gz	KQOSEUBIEUOGFW-SNVBAGLBSA-N	-1	0	378.345	0.965	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c([N+](=O)[O-])c1	ZINC000740528510	1201747814	/nfs/dbraw/zinc/74/78/14/1201747814.db2.gz	QOVQWSFBERQOLK-FGWVZKOKSA-N	-1	0	398.393	0.650	20	5		GCBDRM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000741110121	1201757892	/nfs/dbraw/zinc/75/78/92/1201757892.db2.gz	LVZBSEOXLQBAMU-UHFFFAOYSA-N	-1	0	396.381	0.848	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2cccn3c(=O)[nH]nc23)ccc1[N+](=O)[O-]	ZINC000766281124	1201794211	/nfs/dbraw/zinc/79/42/11/1201794211.db2.gz	JNEPOCXDVZKTCI-UHFFFAOYSA-N	-1	0	377.338	0.770	20	5		GCBDRM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccn2c(=O)[nH]nc12	ZINC000766286215	1201808570	/nfs/dbraw/zinc/80/85/70/1201808570.db2.gz	HDBGQIMMYFNWPW-UHFFFAOYSA-N	-1	0	381.301	0.601	20	5		GCBDRM
CCN(C)S(=O)(=O)[N-]C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21	ZINC000744241421	1201838879	/nfs/dbraw/zinc/83/88/79/1201838879.db2.gz	HEXQOGAJHNNYBF-UHFFFAOYSA-N	-1	0	386.386	0.596	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000768212498	1202006747	/nfs/dbraw/zinc/00/67/47/1202006747.db2.gz	WUNJFXBYMGFLLU-UHFFFAOYSA-N	-1	0	398.397	0.503	20	5		GCBDRM
COCCOCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000768212875	1202007003	/nfs/dbraw/zinc/00/70/03/1202007003.db2.gz	OZNLIWXTIZBMTP-UHFFFAOYSA-N	-1	0	390.370	0.089	20	5		GCBDRM
CCn1cc(S(=O)(=O)[N-]C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)nc1C	ZINC000770187971	1202087669	/nfs/dbraw/zinc/08/76/69/1202087669.db2.gz	UYLRITKWEZCGJM-UHFFFAOYSA-N	-1	0	384.418	0.828	20	5		GCBDRM
CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000770617819	1202105606	/nfs/dbraw/zinc/10/56/06/1202105606.db2.gz	GOIALBQGEYJQEA-SNVBAGLBSA-N	-1	0	388.402	0.495	20	5		GCBDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000770604206	1202105639	/nfs/dbraw/zinc/10/56/39/1202105639.db2.gz	QOROOHVICBCIAO-UHFFFAOYSA-N	-1	0	386.430	0.748	20	5		GCBDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1	ZINC000789474655	1205440312	/nfs/dbraw/zinc/44/03/12/1205440312.db2.gz	DZIKXDLKGHVHEB-UHFFFAOYSA-N	-1	0	393.377	0.886	20	5		GCBDRM
COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000789578773	1205442996	/nfs/dbraw/zinc/44/29/96/1205442996.db2.gz	QXOLVDDIKKVMOX-UHFFFAOYSA-N	-1	0	382.354	0.375	20	5		GCBDRM
C[C@@H](CCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000790613997	1205467917	/nfs/dbraw/zinc/46/79/17/1205467917.db2.gz	AXWVTFWYHRDMHP-VIFPVBQESA-N	-1	0	387.370	0.941	20	5		GCBDRM
CC[C@@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000790616516	1205468094	/nfs/dbraw/zinc/46/80/94/1205468094.db2.gz	MCMSFKMPMYZWNS-VIFPVBQESA-N	-1	0	387.370	0.941	20	5		GCBDRM
CNc1c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cccc1[N+](=O)[O-]	ZINC000793111175	1205496496	/nfs/dbraw/zinc/49/64/96/1205496496.db2.gz	CJAFADSNVBDGEN-UHFFFAOYSA-N	-1	0	381.370	0.193	20	5		GCBDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN(C(C)=O)C2)c([N+](=O)[O-])c1	ZINC000747105230	1205497074	/nfs/dbraw/zinc/49/70/74/1205497074.db2.gz	RYEWAUMSPVVIMB-HNNXBMFYSA-N	-1	0	385.398	0.667	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000793336140	1205498359	/nfs/dbraw/zinc/49/83/59/1205498359.db2.gz	SDNIBYKWXCMYJQ-UHFFFAOYSA-N	-1	0	397.344	0.320	20	5		GCBDRM
O=C(NCCCc1n[nH]c(=O)[n-]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000806974335	1205572843	/nfs/dbraw/zinc/57/28/43/1205572843.db2.gz	FQCLGFPTGYKVSW-UHFFFAOYSA-N	-1	0	376.373	0.618	20	5		GCBDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3nnn(C)c3C2)cc([N+](=O)[O-])c1C	ZINC000810518035	1205639493	/nfs/dbraw/zinc/63/94/93/1205639493.db2.gz	XAELELVXBGOSSO-NSHDSACASA-N	-1	0	393.425	0.950	20	5		GCBDRM
Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC2	ZINC000810515616	1205639614	/nfs/dbraw/zinc/63/96/14/1205639614.db2.gz	NGSJVZHQXYOFNX-MRVPVSSYSA-N	-1	0	399.816	0.987	20	5		GCBDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cn(C2CCOCC2)nn1	ZINC000810538213	1205640025	/nfs/dbraw/zinc/64/00/25/1205640025.db2.gz	ZFZFGVQGBQZIQB-UHFFFAOYSA-N	-1	0	395.397	0.965	20	5		GCBDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	ZINC000810832318	1205643996	/nfs/dbraw/zinc/64/39/96/1205643996.db2.gz	ZWGGZFKLFYNQHJ-UHFFFAOYSA-N	-1	0	379.354	0.933	20	5		GCBDRM
COc1ccc(C(=O)COC(=O)Cn2cnc([N+](=O)[O-])n2)c2occ([O-])c21	ZINC000811094085	1205646533	/nfs/dbraw/zinc/64/65/33/1205646533.db2.gz	RZEUIIXAACOGTR-UHFFFAOYSA-N	-1	0	376.281	0.196	20	5		GCBDRM
COCC1(S(=O)(=O)[N-]C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1	ZINC000811153513	1205648037	/nfs/dbraw/zinc/64/80/37/1205648037.db2.gz	FSDIKKZAJYFZMW-UHFFFAOYSA-N	-1	0	395.397	0.723	20	5		GCBDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2	ZINC000811207961	1205649015	/nfs/dbraw/zinc/64/90/15/1205649015.db2.gz	MGAFFYMMAQRYSU-UHFFFAOYSA-N	-1	0	378.366	0.815	20	5		GCBDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cnn1C	ZINC000813952872	1205683732	/nfs/dbraw/zinc/68/37/32/1205683732.db2.gz	PQEXXRQGOKYBMI-UHFFFAOYSA-N	-1	0	391.369	0.336	20	5		GCBDRM
COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1[N+](=O)[O-]	ZINC000774035065	1205860384	/nfs/dbraw/zinc/86/03/84/1205860384.db2.gz	NCUPXBZCLUACQA-UHFFFAOYSA-N	-1	0	382.354	0.160	20	5		GCBDRM
COc1cc(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)ccc1[N+](=O)[O-]	ZINC000774142285	1205863465	/nfs/dbraw/zinc/86/34/65/1205863465.db2.gz	YXUVDNJEIBTYHT-UHFFFAOYSA-N	-1	0	381.366	0.579	20	5		GCBDRM
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774877283	1205922243	/nfs/dbraw/zinc/92/22/43/1205922243.db2.gz	BTHUYWHYYWTGRE-UHFFFAOYSA-N	-1	0	378.330	0.450	20	5		GCBDRM
Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000775310449	1206015912	/nfs/dbraw/zinc/01/59/12/1206015912.db2.gz	JXQWNOARPJONJM-UHFFFAOYSA-N	-1	0	382.354	0.724	20	5		GCBDRM
O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1[O-]	ZINC001190383899	1206033506	/nfs/dbraw/zinc/03/35/06/1206033506.db2.gz	NRLJFVATPCUGER-AWEZNQCLSA-N	-1	0	390.439	0.890	20	5		GCBDRM