smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([N-]c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])cc(OC)c1	ZINC000004822415	204079041	/nfs/dbraw/zinc/07/90/41/204079041.db2.gz	WERSVOBHAPUVRX-UHFFFAOYSA-N	-1	0	391.771	2.828	50	5		GFBARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2[N+](=O)[O-])cc1OC	ZINC000004580706	204055402	/nfs/dbraw/zinc/05/54/02/204055402.db2.gz	CDEBSDOGADQHIH-CQSZACIVSA-N	-1	0	388.376	2.948	50	5		GFBARM
CC(C)CN1C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2C1=O	ZINC000035877063	204998414	/nfs/dbraw/zinc/99/84/14/204998414.db2.gz	MMTODQJNBUCEIV-UHFFFAOYSA-N	-1	0	383.360	2.805	50	5		GFBARM
CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036035472	205003122	/nfs/dbraw/zinc/00/31/22/205003122.db2.gz	RKFOOAFLMNNZEV-QFYYESIMSA-N	-1	0	377.397	2.908	50	5		GFBARM
O=C([O-])c1cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)ccc1O	ZINC000001515811	570264116	/nfs/dbraw/zinc/26/41/16/570264116.db2.gz	TXGCPJYTDLUJMH-UHFFFAOYSA-N	-1	0	378.296	2.952	50	5		GFBARM
CCCCn1c(=O)c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])[nH]c1=S	ZINC000101763525	570833373	/nfs/dbraw/zinc/83/33/73/570833373.db2.gz	DCMKEUDRZSORTA-GFCCVEGCSA-N	-1	0	389.437	2.758	50	5		GFBARM
CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)c([N+](=O)[O-])n1	ZINC000083843361	570967915	/nfs/dbraw/zinc/96/79/15/570967915.db2.gz	FBIZIVAAJMDJHV-UHFFFAOYSA-N	-1	0	378.332	2.939	50	5		GFBARM
CCCN1C(=S)N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)C(C(=O)OCC)=C1C	ZINC000023219299	570987354	/nfs/dbraw/zinc/98/73/54/570987354.db2.gz	DYCQRZLWGISFAB-OAHLLOKOSA-N	-1	0	379.438	2.779	50	5		GFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(F)cc3)n2)c1	ZINC000014225581	570297352	/nfs/dbraw/zinc/29/73/52/570297352.db2.gz	NRTDFXAESHYOPU-UHFFFAOYSA-N	-1	0	376.369	2.780	50	5		GFBARM
O=C([N-]CCCN(C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000004725173	570862844	/nfs/dbraw/zinc/86/28/44/570862844.db2.gz	MXVJWXSUEDQBOY-UHFFFAOYSA-N	-1	0	387.236	2.559	50	5		GFBARM
COc1ccc2nc(NC(=O)C(=O)C=C([O-])c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102952607	570871872	/nfs/dbraw/zinc/87/18/72/570871872.db2.gz	KDRIOGVFLPPVQT-UHFFFAOYSA-N	-1	0	399.384	2.994	50	5		GFBARM
O=C([O-])CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004521530	204051327	/nfs/dbraw/zinc/05/13/27/204051327.db2.gz	LFZGBNATHRHOKZ-KRWDZBQOSA-N	-1	0	399.403	2.516	50	5		GFBARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000004580742	204055397	/nfs/dbraw/zinc/05/53/97/204055397.db2.gz	FUVYNXBTVVNTJC-HNNXBMFYSA-N	-1	0	388.376	2.948	50	5		GFBARM
COC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1	ZINC000020491988	204722512	/nfs/dbraw/zinc/72/25/12/204722512.db2.gz	ZBBLHWDNBBFBBJ-UHFFFAOYSA-N	-1	0	375.362	2.664	50	5		GFBARM
O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000036073945	205003484	/nfs/dbraw/zinc/00/34/84/205003484.db2.gz	RNNZFHRPUOSPBW-NVNXTCNLSA-N	-1	0	399.384	2.975	50	5		GFBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)ccc1Cl	ZINC000170597591	551635658	/nfs/dbraw/zinc/63/56/58/551635658.db2.gz	BIRSXOOBMAQREP-AWEZNQCLSA-N	-1	0	384.797	2.865	50	5		GFBARM
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000004716035	204068316	/nfs/dbraw/zinc/06/83/16/204068316.db2.gz	ULPCCVPSJJVZQG-AWEZNQCLSA-N	-1	0	382.369	2.537	50	5		GFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3nonc32)c(Br)c1	ZINC000408518529	534883314	/nfs/dbraw/zinc/88/33/14/534883314.db2.gz	MHTQEJNETJLCJP-UHFFFAOYSA-N	-1	0	399.182	2.694	50	5		GFBARM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)CC)cc([N+](=O)[O-])c1[O-]	ZINC000035812710	570457077	/nfs/dbraw/zinc/45/70/77/570457077.db2.gz	JUVHKUXXJAYFMB-BJOHPYRUSA-N	-1	0	393.396	2.669	50	5		GFBARM
CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001145062	570755014	/nfs/dbraw/zinc/75/50/14/570755014.db2.gz	FLWLHWBRQFWTBA-UHFFFAOYSA-N	-1	0	377.422	2.924	50	5		GFBARM
CC(C)C(=O)Nc1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000024451292	570862229	/nfs/dbraw/zinc/86/22/29/570862229.db2.gz	WUITWJQYGWOJLC-UHFFFAOYSA-N	-1	0	377.422	2.668	50	5		GFBARM
COc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000003880039	204020809	/nfs/dbraw/zinc/02/08/09/204020809.db2.gz	CMLSOANBAOXYQA-UHFFFAOYSA-N	-1	0	388.380	2.539	50	5		GFBARM
O=C([O-])CCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004521531	204050613	/nfs/dbraw/zinc/05/06/13/204050613.db2.gz	LFZGBNATHRHOKZ-QGZVFWFLSA-N	-1	0	399.403	2.516	50	5		GFBARM
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-]c1ccc([N+](=O)[O-])cc1Cl	ZINC000102095282	205629278	/nfs/dbraw/zinc/62/92/78/205629278.db2.gz	OINHGNWQWSYLOO-UHFFFAOYSA-N	-1	0	381.688	2.907	50	5		GFBARM
COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)nn1	ZINC000005204194	570506093	/nfs/dbraw/zinc/50/60/93/570506093.db2.gz	LXXVGTLQZHWTQP-UHFFFAOYSA-N	-1	0	386.389	2.861	50	5		GFBARM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001128027	570754648	/nfs/dbraw/zinc/75/46/48/570754648.db2.gz	PXZUROVHYIEDKV-LBPRGKRZSA-N	-1	0	377.422	2.924	50	5		GFBARM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)cc1[N+](=O)[O-]	ZINC000012752835	571005537	/nfs/dbraw/zinc/00/55/37/571005537.db2.gz	FTSXSJRMTCGTQL-UHFFFAOYSA-N	-1	0	381.797	2.601	50	5		GFBARM
Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCC(=O)[O-]	ZINC000004624237	204057770	/nfs/dbraw/zinc/05/77/70/204057770.db2.gz	PWRCOFPQHNKLSM-UHFFFAOYSA-N	-1	0	380.429	2.508	50	5		GFBARM
CC(C)Cn1c(=O)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c([O-])c2ccccc21	ZINC000100331697	570353340	/nfs/dbraw/zinc/35/33/40/570353340.db2.gz	BQSFEUOKRHXQLF-UHFFFAOYSA-N	-1	0	388.405	2.980	50	5		GFBARM
Cc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000035832839	570461085	/nfs/dbraw/zinc/46/10/85/570461085.db2.gz	CAXBMMDDYJGQBV-SFHVURJKSA-N	-1	0	397.387	2.980	50	5		GFBARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])N1CCCC1	ZINC000006623384	570506932	/nfs/dbraw/zinc/50/69/32/570506932.db2.gz	NWXGYHPEWWVDEO-UHFFFAOYSA-N	-1	0	393.396	2.771	50	5		GFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncn(Cc2cccc(Cl)c2)n1	ZINC000017080474	204607474	/nfs/dbraw/zinc/60/74/74/204607474.db2.gz	QZEHQYUVUFSNLH-UHFFFAOYSA-N	-1	0	393.812	2.689	50	5		GFBARM
CCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1Br	ZINC000005065132	551096188	/nfs/dbraw/zinc/09/61/88/551096188.db2.gz	SYFLPGCYSWAZON-HWKANZROSA-N	-1	0	382.170	2.715	50	5		GFBARM
Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)c(Cl)c1	ZINC000026540622	551121928	/nfs/dbraw/zinc/12/19/28/551121928.db2.gz	HPIVDRFZYHJFOY-UHFFFAOYSA-N	-1	0	385.829	2.762	50	5		GFBARM
CCCCn1c(=O)c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c([O-])[nH]c1=S	ZINC000101495445	570825593	/nfs/dbraw/zinc/82/55/93/570825593.db2.gz	MCEZXNCIZBSDSQ-GFCCVEGCSA-N	-1	0	389.437	2.758	50	5		GFBARM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c1[O-]	ZINC000015011076	207039739	/nfs/dbraw/zinc/03/97/39/207039739.db2.gz	ZCJSDDSJTBVOCF-ZROIWOOFSA-N	-1	0	385.401	2.913	50	5		GFBARM
O=C1CCCCN1c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005329776	136194781	/nfs/dbraw/zinc/19/47/81/136194781.db2.gz	DMVRCCNQGMOBPB-UHFFFAOYSA-N	-1	0	375.406	2.913	50	5		GFBARM
CCOc1ccc2nc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000004877595	551094786	/nfs/dbraw/zinc/09/47/86/551094786.db2.gz	WTTMDRPCRLGHOM-UHFFFAOYSA-N	-1	0	379.419	2.826	50	5		GFBARM
COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000035979493	570490204	/nfs/dbraw/zinc/49/02/04/570490204.db2.gz	RJPGQIGPUJXVLX-AWNIVKPZSA-N	-1	0	387.323	2.541	50	5		GFBARM
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128364	570546025	/nfs/dbraw/zinc/54/60/25/570546025.db2.gz	MHXSVBBJERLNGI-GOSISDBHSA-N	-1	0	397.387	2.714	50	5		GFBARM
CCc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1[N+](=O)[O-]	ZINC000026544287	207315785	/nfs/dbraw/zinc/31/57/85/207315785.db2.gz	MOBMPDXCEYRYKM-UHFFFAOYSA-N	-1	0	392.437	2.522	50	5		GFBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)ccc1Cl	ZINC000170597592	551635810	/nfs/dbraw/zinc/63/58/10/551635810.db2.gz	BIRSXOOBMAQREP-CQSZACIVSA-N	-1	0	384.797	2.865	50	5		GFBARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	ZINC000004980366	570385825	/nfs/dbraw/zinc/38/58/25/570385825.db2.gz	HUNQPHOYELSISH-UHFFFAOYSA-N	-1	0	380.378	2.581	50	5		GFBARM
COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1N1CCCC1=O	ZINC000005329665	570554722	/nfs/dbraw/zinc/55/47/22/570554722.db2.gz	GCUFNZFLHKITMW-UHFFFAOYSA-N	-1	0	391.405	2.531	50	5		GFBARM
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCC1=O	ZINC000005329666	570554932	/nfs/dbraw/zinc/55/49/32/570554932.db2.gz	BLGNNASLLNMUEK-UHFFFAOYSA-N	-1	0	391.405	2.531	50	5		GFBARM
O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1	ZINC000012552527	570856254	/nfs/dbraw/zinc/85/62/54/570856254.db2.gz	ZVSQLOCMJGRXNL-UHFFFAOYSA-N	-1	0	379.369	2.662	50	5		GFBARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000004580741	570911201	/nfs/dbraw/zinc/91/12/01/570911201.db2.gz	FUVYNXBTVVNTJC-OAHLLOKOSA-N	-1	0	388.376	2.948	50	5		GFBARM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)c(F)c(Br)c(F)c2F)n1	ZINC000002779643	654438122	/nfs/dbraw/zinc/43/81/22/654438122.db2.gz	QXLNPEHUEPWMPZ-UHFFFAOYSA-N	-1	0	397.082	2.900	50	5		GFBARM
CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000006211631	570342786	/nfs/dbraw/zinc/34/27/86/570342786.db2.gz	HIXNHFPMQBELNN-UHFFFAOYSA-N	-1	0	377.422	2.924	50	5		GFBARM
O=C([O-])C[C@]1(C(=O)Nc2ccc(F)cc2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000006754819	570570902	/nfs/dbraw/zinc/57/09/02/570570902.db2.gz	BZMIXGBOXLFQNH-SFHVURJKSA-N	-1	0	387.323	2.711	50	5		GFBARM
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000004716036	570856569	/nfs/dbraw/zinc/85/65/69/570856569.db2.gz	ULPCCVPSJJVZQG-CQSZACIVSA-N	-1	0	382.369	2.537	50	5		GFBARM
O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N(CCCCC(=O)c2cccnc2)C1=O	ZINC000009135240	221071277	/nfs/dbraw/zinc/07/12/77/221071277.db2.gz	VGMQQGPUWQQJFI-MRXNPFEDSA-N	-1	0	397.387	2.633	50	5		GFBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000006623234	570506820	/nfs/dbraw/zinc/50/68/20/570506820.db2.gz	IVVWWYWEIDRRLY-UHFFFAOYSA-N	-1	0	380.378	2.566	50	5		GFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3F)c2)c1	ZINC000006373296	570707902	/nfs/dbraw/zinc/70/79/02/570707902.db2.gz	MYEUDYAMONXVOF-UHFFFAOYSA-N	-1	0	376.369	2.780	50	5		GFBARM
O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cncc(Br)c1	ZINC000004758584	570963448	/nfs/dbraw/zinc/96/34/48/570963448.db2.gz	FYCKFNSMDWLAEQ-UHFFFAOYSA-N	-1	0	381.211	2.879	50	5		GFBARM
C[C@@H](O)C[C@@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000252496910	570476391	/nfs/dbraw/zinc/47/63/91/570476391.db2.gz	PUVMCLBUWGPKEY-PWSUYJOCSA-N	-1	0	394.815	2.515	50	5		GFBARM
CCOC(=O)c1cccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c1	ZINC000013943480	207004915	/nfs/dbraw/zinc/00/49/15/207004915.db2.gz	NMNABUOSAWUNQQ-SOFGYWHQSA-N	-1	0	397.343	2.991	50	5		GFBARM
O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000006316178	570376810	/nfs/dbraw/zinc/37/68/10/570376810.db2.gz	OYSRMSVMVPVYKX-UHFFFAOYSA-N	-1	0	395.824	2.941	50	5		GFBARM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)CC)cc([N+](=O)[O-])c1[O-]	ZINC000035812713	570457291	/nfs/dbraw/zinc/45/72/91/570457291.db2.gz	JUVHKUXXJAYFMB-PSLIRLAXSA-N	-1	0	393.396	2.669	50	5		GFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(Cl)c3)n2)c1	ZINC000006373290	570707924	/nfs/dbraw/zinc/70/79/24/570707924.db2.gz	TYPPYJXNCNTEJI-UHFFFAOYSA-N	-1	0	393.812	2.689	50	5		GFBARM
Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000004662684	570811628	/nfs/dbraw/zinc/81/16/28/570811628.db2.gz	OBPIXZWOIURTTG-LZCJLJQNSA-N	-1	0	397.416	2.938	50	5		GFBARM
O=C(COc1ccccc1[N+](=O)[O-])n1cc(C(=O)c2cc(F)ccc2[O-])cn1	ZINC000014166287	207011706	/nfs/dbraw/zinc/01/17/06/207011706.db2.gz	VSWAYKRPQCVKQX-UHFFFAOYSA-N	-1	0	385.307	2.586	50	5		GFBARM
COc1ccc(-c2nn3c(CCCC(=O)[O-])nc4ccccc4c3nc2=O)cc1	ZINC000032934910	207421836	/nfs/dbraw/zinc/42/18/36/207421836.db2.gz	GKEHGSFLOSMGJW-UHFFFAOYSA-N	-1	0	390.399	2.721	50	5		GFBARM
Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000005051679	570406540	/nfs/dbraw/zinc/40/65/40/570406540.db2.gz	GUNSUUZSYYWEAY-QPJJXVBHSA-N	-1	0	397.416	2.938	50	5		GFBARM
C[C@@H]1c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc3c2N(CCC3)C1=O	ZINC000101078699	570794034	/nfs/dbraw/zinc/79/40/34/570794034.db2.gz	HGASXFTWMPUWII-LLVKDONJSA-N	-1	0	387.417	2.792	50	5		GFBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004686998	570831190	/nfs/dbraw/zinc/83/11/90/570831190.db2.gz	OFIWXWWFEMWKDC-CQSZACIVSA-N	-1	0	384.797	2.743	50	5		GFBARM
CC(C)Cn1c(=O)cc([O-])nc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000071794625	570893904	/nfs/dbraw/zinc/89/39/04/570893904.db2.gz	DSXARZGPGQUYOQ-LLVKDONJSA-N	-1	0	392.437	2.632	50	5		GFBARM
Cc1cc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c([N+](=O)[O-])cc1C	ZINC000009234355	206779855	/nfs/dbraw/zinc/77/98/55/206779855.db2.gz	JUYKBLCONFUWBN-HWKANZROSA-N	-1	0	398.331	2.927	50	5		GFBARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000024153041	207288658	/nfs/dbraw/zinc/28/86/58/207288658.db2.gz	BXRVJWHQDDQNQU-UHFFFAOYSA-N	-1	0	384.797	3.000	50	5		GFBARM
O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCC1	ZINC000005027808	570398456	/nfs/dbraw/zinc/39/84/56/570398456.db2.gz	BQKOFYRVNWNLRO-UHFFFAOYSA-N	-1	0	375.406	2.632	50	5		GFBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc([N+](=O)[O-])o1	ZINC000001772185	570422852	/nfs/dbraw/zinc/42/28/52/570422852.db2.gz	PSXTULZHACGXKU-UHFFFAOYSA-N	-1	0	394.390	2.697	50	5		GFBARM
COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-]	ZINC000002238240	570719441	/nfs/dbraw/zinc/71/94/41/570719441.db2.gz	AYFYIIIEAKSAFL-UHFFFAOYSA-N	-1	0	389.389	2.737	50	5		GFBARM
COc1cc([N-]S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc(OC)c1	ZINC000020491910	210341111	/nfs/dbraw/zinc/34/11/11/210341111.db2.gz	AJEPIULHCVTVGI-UHFFFAOYSA-N	-1	0	377.378	2.894	50	5		GFBARM
O=C1CCc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc3c2N1CCC3	ZINC000005154092	136194589	/nfs/dbraw/zinc/19/45/89/136194589.db2.gz	ZLRUSNBPAHUDJW-UHFFFAOYSA-N	-1	0	387.417	2.621	50	5		GFBARM
COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000047383507	551153222	/nfs/dbraw/zinc/15/32/22/551153222.db2.gz	IICZNBBTRZFCNJ-UHFFFAOYSA-N	-1	0	388.760	2.975	50	5		GFBARM
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1c(F)c(F)c(Br)c(F)c1F	ZINC000006827390	570625367	/nfs/dbraw/zinc/62/53/67/570625367.db2.gz	BWNJAWUCPMZPLY-UHFFFAOYSA-N	-1	0	397.082	2.900	50	5		GFBARM
C[C@@H](O)C[C@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000252496911	570975716	/nfs/dbraw/zinc/97/57/16/570975716.db2.gz	PUVMCLBUWGPKEY-ZYHUDNBSSA-N	-1	0	394.815	2.515	50	5		GFBARM
O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]S(=O)(=O)/C=C\c1ccccc1	ZINC000221760112	570884888	/nfs/dbraw/zinc/88/48/88/570884888.db2.gz	FUBIFXSRJGIYJV-MNAJIYKBSA-N	-1	0	376.365	2.864	50	5		GFBARM
O=C([O-])/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1	ZINC000002272188	654436115	/nfs/dbraw/zinc/43/61/15/654436115.db2.gz	MFOZXROSMSPFPB-YFHOEESVSA-N	-1	0	381.138	2.806	50	5		GFBARM
Cc1cc(C)c(S(=O)(=O)[N-]NC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000002857371	209391607	/nfs/dbraw/zinc/39/16/07/209391607.db2.gz	VPCJHCBXBPAZLZ-UHFFFAOYSA-N	-1	0	394.478	2.700	50	5		GFBARM
CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)c([N+](=O)[O-])c1	ZINC000095447948	211241084	/nfs/dbraw/zinc/24/10/84/211241084.db2.gz	AQYNAMVEGTUAIE-UHFFFAOYSA-N	-1	0	398.368	2.720	50	5		GFBARM
Cc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000035832837	570461013	/nfs/dbraw/zinc/46/10/13/570461013.db2.gz	CAXBMMDDYJGQBV-GOSISDBHSA-N	-1	0	397.387	2.980	50	5		GFBARM
COc1ccc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)nn1	ZINC000005204193	570506114	/nfs/dbraw/zinc/50/61/14/570506114.db2.gz	SITBUGDKJQTQSZ-UHFFFAOYSA-N	-1	0	386.389	2.861	50	5		GFBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1[N+](=O)[O-]	ZINC000004877419	209536939	/nfs/dbraw/zinc/53/69/39/209536939.db2.gz	NNKCYCIOXKPFLK-UHFFFAOYSA-N	-1	0	377.422	2.842	50	5		GFBARM
COc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c([N+](=O)[O-])cc1OC	ZINC000001150191	209306666	/nfs/dbraw/zinc/30/66/66/209306666.db2.gz	VFNMJMQBWUDZSY-UHFFFAOYSA-N	-1	0	378.288	2.735	50	5		GFBARM
Cc1cc(C)cc([N-]c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])c1	ZINC000004821988	570288586	/nfs/dbraw/zinc/28/85/86/570288586.db2.gz	NNQYTMSJMPTIES-UHFFFAOYSA-N	-1	0	383.364	2.546	50	5		GFBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1[N+](=O)[O-]	ZINC000012561024	570865272	/nfs/dbraw/zinc/86/52/72/570865272.db2.gz	KHDSXYMNTUYVHY-UHFFFAOYSA-N	-1	0	375.406	2.831	50	5		GFBARM
Cc1cc(-c2nnc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)o2)c(C)o1	ZINC000095944031	211284519	/nfs/dbraw/zinc/28/45/19/211284519.db2.gz	NWTPODLBNLHFFW-UHFFFAOYSA-N	-1	0	378.366	2.964	50	5		GFBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)c1C	ZINC000032833700	570845399	/nfs/dbraw/zinc/84/53/99/570845399.db2.gz	IHWDIAJJMZQDLW-UHFFFAOYSA-N	-1	0	387.421	2.808	50	5		GFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncn(Cc2ccccc2Cl)n1	ZINC000017080472	210204591	/nfs/dbraw/zinc/20/45/91/210204591.db2.gz	ANXHNAQYMWXGDY-UHFFFAOYSA-N	-1	0	393.812	2.689	50	5		GFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cnn(Cc2ccc(F)cc2)c1	ZINC000017076919	210200857	/nfs/dbraw/zinc/20/08/57/210200857.db2.gz	MZDGIWAGPHEBJV-UHFFFAOYSA-N	-1	0	376.369	2.780	50	5		GFBARM
O=[N+]([O-])c1cc(I)c([O-])c(I)c1	ZINC000003861130	209457044	/nfs/dbraw/zinc/45/70/44/209457044.db2.gz	UVGTXNPVQOQFQW-UHFFFAOYSA-N	-1	0	390.902	2.510	50	5	in-vitro	GFBARM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000006244070	570347529	/nfs/dbraw/zinc/34/75/29/570347529.db2.gz	JQYJKFGLPDRIGB-UHFFFAOYSA-N	-1	0	377.422	2.926	50	5		GFBARM
O=C([O-])/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1	ZINC000004558183	570882102	/nfs/dbraw/zinc/88/21/02/570882102.db2.gz	MFOZXROSMSPFPB-JXMROGBWSA-N	-1	0	381.138	2.806	50	5		GFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cc1	ZINC000002779178	209383763	/nfs/dbraw/zinc/38/37/63/209383763.db2.gz	HXNMMHAWXNUKLD-UHFFFAOYSA-N	-1	0	393.812	2.689	50	5		GFBARM
CC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000005252348	136194659	/nfs/dbraw/zinc/19/46/59/136194659.db2.gz	OTCPLNTZMSMHTN-UHFFFAOYSA-N	-1	0	375.406	2.695	50	5		GFBARM
COc1ccc(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)nn1	ZINC000005204245	570506080	/nfs/dbraw/zinc/50/60/80/570506080.db2.gz	MBVPIPWSEPWTKA-UHFFFAOYSA-N	-1	0	386.389	2.861	50	5		GFBARM
COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000001444570	212246626	/nfs/dbraw/zinc/24/66/26/212246626.db2.gz	MQVHWESMBXYOKX-CQSZACIVSA-N	-1	0	398.318	2.689	50	5		GFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccc3nncn3n2)cc1	ZINC000014057040	221296993	/nfs/dbraw/zinc/29/69/93/221296993.db2.gz	MUDJYWIGJWGBAG-UHFFFAOYSA-N	-1	0	396.388	2.500	50	5		GFBARM
O=C(c1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1)N1CCCC1	ZINC000048304096	221986013	/nfs/dbraw/zinc/98/60/13/221986013.db2.gz	PGUBTCAMWPBMSG-UHFFFAOYSA-N	-1	0	393.396	2.771	50	5		GFBARM
COc1cc([N-]c2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])cc(OC)c1	ZINC000004822932	570290835	/nfs/dbraw/zinc/29/08/35/570290835.db2.gz	HFAKVJVOTNNKAI-UHFFFAOYSA-N	-1	0	391.771	2.828	50	5		GFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(F)cc3Cl)[n+]2[O-])cc1	ZINC000004923301	570370139	/nfs/dbraw/zinc/37/01/39/570370139.db2.gz	AIZMNVLYQGITFN-UHFFFAOYSA-N	-1	0	379.735	2.959	50	5		GFBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1	ZINC000004993488	570390891	/nfs/dbraw/zinc/39/08/91/570390891.db2.gz	ZAQIXEBCXSILEZ-UHFFFAOYSA-N	-1	0	378.295	2.539	50	5		GFBARM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)CC)cc([N+](=O)[O-])c1[O-]	ZINC000035812715	570457298	/nfs/dbraw/zinc/45/72/98/570457298.db2.gz	JUVHKUXXJAYFMB-VFZGTOFNSA-N	-1	0	393.396	2.669	50	5		GFBARM
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128362	570545915	/nfs/dbraw/zinc/54/59/15/570545915.db2.gz	MHXSVBBJERLNGI-SFHVURJKSA-N	-1	0	397.387	2.714	50	5		GFBARM
CCOc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	ZINC000005652073	570679510	/nfs/dbraw/zinc/67/95/10/570679510.db2.gz	UNULMMPPTYHLCS-UHFFFAOYSA-N	-1	0	379.394	2.812	50	5		GFBARM
CCCCn1c(=O)c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])[nH]c1=S	ZINC000101763522	570833473	/nfs/dbraw/zinc/83/34/73/570833473.db2.gz	DCMKEUDRZSORTA-LBPRGKRZSA-N	-1	0	389.437	2.758	50	5		GFBARM
Cc1c2c(cc(=O)n1Cc1ccccc1)[n-]n(-c1ccc([N+](=O)[O-])cc1)c2=O	ZINC000009482342	221082939	/nfs/dbraw/zinc/08/29/39/221082939.db2.gz	ZMSQJBSJAFLATO-UHFFFAOYSA-N	-1	0	376.372	2.745	50	5		GFBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005008008	551096008	/nfs/dbraw/zinc/09/60/08/551096008.db2.gz	DHPCYWREDJJLFI-UHFFFAOYSA-N	-1	0	387.757	2.966	50	5		GFBARM
CCc1ccc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000004676679	570817180	/nfs/dbraw/zinc/81/71/80/570817180.db2.gz	XHBRJURVFVOPGO-UHFFFAOYSA-N	-1	0	375.406	2.755	50	5		GFBARM
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cccc([N+](=O)[O-])c1)N(C)C2=O	ZINC000004563467	570890970	/nfs/dbraw/zinc/89/09/70/570890970.db2.gz	UPASNDJBYUXPHG-IRXDYDNUSA-N	-1	0	386.360	2.607	50	5		GFBARM
COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000004575575	570894051	/nfs/dbraw/zinc/89/40/51/570894051.db2.gz	JJVJIGPFBINOHD-UHFFFAOYSA-N	-1	0	376.321	2.571	50	5		GFBARM
CC(C)Cn1c(=O)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c([O-])c2ccccc21	ZINC000096758935	570778718	/nfs/dbraw/zinc/77/87/18/570778718.db2.gz	VQYICPUXBZFNOK-UHFFFAOYSA-N	-1	0	388.405	2.980	50	5		GFBARM
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1[N-]c1ccc(Br)cc1	ZINC000004758811	220762680	/nfs/dbraw/zinc/76/26/80/220762680.db2.gz	XRHPMNJAYFZYEW-UHFFFAOYSA-N	-1	0	376.170	2.920	50	5		GFBARM
CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006211635	570342813	/nfs/dbraw/zinc/34/28/13/570342813.db2.gz	KRVHQFFZLDQCBR-UHFFFAOYSA-N	-1	0	377.422	2.924	50	5		GFBARM
Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccccc4Cl)[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000103556182	570886894	/nfs/dbraw/zinc/88/68/94/570886894.db2.gz	PYAHTQSMBFCJQY-GOEBONIOSA-N	-1	0	385.763	2.849	50	5		GFBARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2[N+](=O)[O-])cc1OC	ZINC000004580707	570911139	/nfs/dbraw/zinc/91/11/39/570911139.db2.gz	CDEBSDOGADQHIH-AWEZNQCLSA-N	-1	0	388.376	2.948	50	5		GFBARM
CN(C)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013260036	221263626	/nfs/dbraw/zinc/26/36/26/221263626.db2.gz	VYSIPSBGJWTCGF-INIZCTEOSA-N	-1	0	396.403	2.568	50	5		GFBARM
CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000024428991	570842856	/nfs/dbraw/zinc/84/28/56/570842856.db2.gz	ZFOMUZPEJFKQKP-UHFFFAOYSA-N	-1	0	377.422	2.924	50	5		GFBARM
CCOc1ccc(-c2nn3c(CCC(=O)[O-])nc4ccccc4c3nc2=O)cc1	ZINC000089991199	570923586	/nfs/dbraw/zinc/92/35/86/570923586.db2.gz	FPIRZHQRZHHYJC-UHFFFAOYSA-N	-1	0	390.399	2.721	50	5		GFBARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1	ZINC000001107047	212218292	/nfs/dbraw/zinc/21/82/92/212218292.db2.gz	HVVICSIXSDVQOD-UHFFFAOYSA-N	-1	0	375.406	2.632	50	5		GFBARM
CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000002997701	220595613	/nfs/dbraw/zinc/59/56/13/220595613.db2.gz	DYLZRTCJCYCKET-UHFFFAOYSA-N	-1	0	389.389	2.819	50	5		GFBARM
O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])o1	ZINC000065329812	222123221	/nfs/dbraw/zinc/12/32/21/222123221.db2.gz	WXJPALNHBCBANM-UHFFFAOYSA-N	-1	0	385.332	2.659	50	5		GFBARM
O=C(NC1CCCCC1)NC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000084339157	222314484	/nfs/dbraw/zinc/31/44/84/222314484.db2.gz	QVAJUSGBUGTWSI-UHFFFAOYSA-N	-1	0	390.440	2.537	50	5		GFBARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000004594613	570627668	/nfs/dbraw/zinc/62/76/68/570627668.db2.gz	CSRLMEWYWKDXQG-OAHLLOKOSA-N	-1	0	388.376	2.948	50	5		GFBARM
O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])[N-]S(=O)(=O)/C=C\c1ccccc1	ZINC000221760173	570884885	/nfs/dbraw/zinc/88/48/85/570884885.db2.gz	FUBIFXSRJGIYJV-GLYMIEGHSA-N	-1	0	376.365	2.864	50	5		GFBARM
O=C([O-])CSc1nc2cc(F)ccc2c2nc(=O)c(-c3ccccc3)nn12	ZINC000585157886	570989272	/nfs/dbraw/zinc/98/92/72/570989272.db2.gz	DBSFZHAJCPAVKZ-UHFFFAOYSA-N	-1	0	382.376	2.621	50	5		GFBARM
Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)[O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000020255299	597039618	/nfs/dbraw/zinc/03/96/18/597039618.db2.gz	DTPDHMMUDKUWGG-UHFFFAOYSA-N	-1	0	379.394	2.509	50	5		GFBARM
O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1	ZINC000012508217	221200245	/nfs/dbraw/zinc/20/02/45/221200245.db2.gz	DPXCLRXRVSLVNV-UHFFFAOYSA-N	-1	0	379.369	2.662	50	5		GFBARM
O=C([O-])C[C@@]1(C(=O)NC2CCCCCC2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000017113157	221380067	/nfs/dbraw/zinc/38/00/67/221380067.db2.gz	RBLYLCUMXCMQIT-LJQANCHMSA-N	-1	0	389.408	2.772	50	5		GFBARM
CCc1ccc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1[N+](=O)[O-]	ZINC000089286497	222326863	/nfs/dbraw/zinc/32/68/63/222326863.db2.gz	UBFISDSNQGLLBJ-UHFFFAOYSA-N	-1	0	378.406	2.909	50	5		GFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1=O	ZINC000012560498	570865015	/nfs/dbraw/zinc/86/50/15/570865015.db2.gz	VJSZHLRXTKNTDQ-UHFFFAOYSA-N	-1	0	375.406	2.831	50	5		GFBARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1	ZINC000001122264	212219797	/nfs/dbraw/zinc/21/97/97/212219797.db2.gz	HVDFKWUECQWOEJ-UHFFFAOYSA-N	-1	0	375.406	2.632	50	5		GFBARM
O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])sc2c1	ZINC000003102098	551092104	/nfs/dbraw/zinc/09/21/04/551092104.db2.gz	DQPBANYTIXYFOI-UHFFFAOYSA-N	-1	0	380.363	2.914	50	5		GFBARM
O=C([O-])C[C@]1(C(=O)NC2CCCCCC2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000006662744	570525981	/nfs/dbraw/zinc/52/59/81/570525981.db2.gz	RBLYLCUMXCMQIT-IBGZPJMESA-N	-1	0	389.408	2.772	50	5		GFBARM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccc(-n2cccn2)cc1	ZINC000045812116	570996838	/nfs/dbraw/zinc/99/68/38/570996838.db2.gz	OBXOFIFFDMCIQN-UHFFFAOYSA-N	-1	0	392.824	2.912	50	5		GFBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(C)C	ZINC000004173494	204029783	/nfs/dbraw/zinc/02/97/83/204029783.db2.gz	UURLANUCCQQNIN-FNORWQNLSA-N	-1	0	375.381	2.988	50	5		GFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3cc(Cl)ccc3OC)[n+]2[O-])cc1	ZINC000004826923	204079975	/nfs/dbraw/zinc/07/99/75/204079975.db2.gz	PHMNFHXPNIWJDX-UHFFFAOYSA-N	-1	0	391.771	2.828	50	5		GFBARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000005652808	204144799	/nfs/dbraw/zinc/14/47/99/204144799.db2.gz	CWLFSXZCOQZLCM-UHFFFAOYSA-N	-1	0	391.405	2.694	50	5		GFBARM
Cc1nc(N2CCOCC2)nc([N-]c2ccc([N+](=O)[O-])cc2Cl)c1[N+](=O)[O-]	ZINC000013809980	570698289	/nfs/dbraw/zinc/69/82/89/570698289.db2.gz	WGFVLUXJKZCFHQ-UHFFFAOYSA-N	-1	0	394.775	2.835	50	5		GFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncn(Cc3ccccc3Cl)n2)c1	ZINC000017080473	570926961	/nfs/dbraw/zinc/92/69/61/570926961.db2.gz	QDUPSUQUURZDMP-UHFFFAOYSA-N	-1	0	393.812	2.689	50	5		GFBARM
C[C@H](O)C[C@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000252496908	570975653	/nfs/dbraw/zinc/97/56/53/570975653.db2.gz	PUVMCLBUWGPKEY-CMPLNLGQSA-N	-1	0	394.815	2.515	50	5		GFBARM
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000007054036	204231219	/nfs/dbraw/zinc/23/12/19/204231219.db2.gz	PUGXGHBNMKUHFJ-UHFFFAOYSA-N	-1	0	377.422	2.878	50	5		GFBARM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1cc(S(=O)(=O)[O-])ccc1Cl	ZINC000004005942	570612928	/nfs/dbraw/zinc/61/29/28/570612928.db2.gz	XRCBFJQOLWKEBA-UHFFFAOYSA-N	-1	0	395.780	2.636	50	5		GFBARM
CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001128424	570754847	/nfs/dbraw/zinc/75/48/47/570754847.db2.gz	PIUPMPIZWNARNQ-UHFFFAOYSA-N	-1	0	377.422	2.781	50	5		GFBARM
Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])nnc1-c1ccccc1	ZINC000004829138	204079227	/nfs/dbraw/zinc/07/92/27/204079227.db2.gz	QLBSSUWMHDTBEM-UHFFFAOYSA-N	-1	0	385.405	2.827	50	5		GFBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000102414127	205630904	/nfs/dbraw/zinc/63/09/04/205630904.db2.gz	OZFMAAJZKNAXBR-UHFFFAOYSA-N	-1	0	394.212	2.971	50	5		GFBARM
C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2[N+](=O)[O-])C1	ZINC000095969624	136182962	/nfs/dbraw/zinc/18/29/62/136182962.db2.gz	QQAIWHRQFOSQSG-HIFRSBDPSA-N	-1	0	375.425	2.768	50	5		GFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Br)cn2)c(Cl)c1	ZINC000328594197	563460570	/nfs/dbraw/zinc/46/05/70/563460570.db2.gz	YLOOECVWKLUYSL-UHFFFAOYSA-N	-1	0	393.606	2.602	50	5		GFBARM
CCOc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000005080716	654446284	/nfs/dbraw/zinc/44/62/84/654446284.db2.gz	LORJZAZUZWTKNK-ZZXKWVIFSA-N	-1	0	382.170	2.715	50	5		GFBARM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)CC)cc([N+](=O)[O-])c1[O-]	ZINC000035812708	570457165	/nfs/dbraw/zinc/45/71/65/570457165.db2.gz	JUVHKUXXJAYFMB-RFAUZJTJSA-N	-1	0	393.396	2.669	50	5		GFBARM
Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc12	ZINC000012560621	570865198	/nfs/dbraw/zinc/86/51/98/570865198.db2.gz	QBZYTIDWYOVROP-UHFFFAOYSA-N	-1	0	375.410	2.603	50	5		GFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCOCC1	ZINC000009367471	204308065	/nfs/dbraw/zinc/30/80/65/204308065.db2.gz	XKIQNOIINFZKQQ-UHFFFAOYSA-N	-1	0	377.422	2.541	50	5		GFBARM
CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036035473	205003166	/nfs/dbraw/zinc/00/31/66/205003166.db2.gz	RKFOOAFLMNNZEV-QLJPJBMISA-N	-1	0	377.397	2.908	50	5		GFBARM
O=C([O-])c1c(Br)c(Br)c([N+](=O)[O-])c2c1OCCO2	ZINC000033358820	551134009	/nfs/dbraw/zinc/13/40/09/551134009.db2.gz	MVYGNUFUGOZHQE-UHFFFAOYSA-N	-1	0	382.948	2.589	50	5		GFBARM
O=C([O-])C1CCN(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)CC1	ZINC000002112990	570950541	/nfs/dbraw/zinc/95/05/41/570950541.db2.gz	KXWMOBMALJDRAG-UHFFFAOYSA-N	-1	0	381.384	2.648	50	5		GFBARM
C[C@H](O)C[C@@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000252496909	570975763	/nfs/dbraw/zinc/97/57/63/570975763.db2.gz	PUVMCLBUWGPKEY-JQWIXIFHSA-N	-1	0	394.815	2.515	50	5		GFBARM
O=C([N-]N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O)c1ccco1	ZINC000001207748	203896676	/nfs/dbraw/zinc/89/66/76/203896676.db2.gz	CWYXRPSIDVZJSI-UHFFFAOYSA-N	-1	0	393.311	2.921	50	5		GFBARM
COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C2=O	ZINC000004563464	204052918	/nfs/dbraw/zinc/05/29/18/204052918.db2.gz	UPASNDJBYUXPHG-IAGOWNOFSA-N	-1	0	386.360	2.607	50	5		GFBARM
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000006843964	204215549	/nfs/dbraw/zinc/21/55/49/204215549.db2.gz	KFVCCGLGGHADNX-AWEZNQCLSA-N	-1	0	378.406	2.706	50	5		GFBARM
Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000225465539	206049989	/nfs/dbraw/zinc/04/99/89/206049989.db2.gz	KYSSNTSIJWSACU-UHFFFAOYSA-N	-1	0	381.801	2.709	50	5		GFBARM
CCOc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OCC	ZINC000012521261	570828002	/nfs/dbraw/zinc/82/80/02/570828002.db2.gz	DRJYWRLRUNLWMV-UHFFFAOYSA-N	-1	0	382.394	2.899	50	5		GFBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCCC(C)C	ZINC000004557583	204052852	/nfs/dbraw/zinc/05/28/52/204052852.db2.gz	XLGVHOHUSLLTHV-GQCTYLIASA-N	-1	0	375.381	2.988	50	5		GFBARM
O=C([N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008384478	204274191	/nfs/dbraw/zinc/27/41/91/204274191.db2.gz	BZZAVLTYNMQODP-UHFFFAOYSA-N	-1	0	377.225	2.572	50	5		GFBARM
COc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000225527659	206054756	/nfs/dbraw/zinc/05/47/56/206054756.db2.gz	GJIRYKHSNQYGPQ-UHFFFAOYSA-N	-1	0	394.789	2.576	50	5		GFBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCc2ccccc2F)[nH]1	ZINC000013592679	570659663	/nfs/dbraw/zinc/65/96/63/570659663.db2.gz	GDQGEUVCDSEEQM-MDZDMXLPSA-N	-1	0	383.335	2.860	50	5		GFBARM
Nc1c(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-]	ZINC000095970088	601283952	/nfs/dbraw/zinc/28/39/52/601283952.db2.gz	JUUIVJQUPRQKAN-UHFFFAOYSA-N	-1	0	379.319	2.572	50	5		GFBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1Cl	ZINC000253424592	553151442	/nfs/dbraw/zinc/15/14/42/553151442.db2.gz	IEOULMOCNBHHLP-UHFFFAOYSA-N	-1	0	388.192	2.974	50	5		GFBARM
CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001178221	206363610	/nfs/dbraw/zinc/36/36/10/206363610.db2.gz	WKJZCIUQGLBDOR-UHFFFAOYSA-N	-1	0	377.422	2.781	50	5		GFBARM
O=[N+]([O-])c1cc(CS(=O)(=O)Oc2ccc(Cl)cc2)c([O-])c([N+](=O)[O-])c1	ZINC000002117846	206399749	/nfs/dbraw/zinc/39/97/49/206399749.db2.gz	PAAGMXNSUGSNLR-UHFFFAOYSA-N	-1	0	388.741	2.771	50	5		GFBARM
O=c1[nH]c(C=Cc2c[nH]c3ccc(Br)cc23)nc([O-])c1[N+](=O)[O-]	ZINC000009295529	206781615	/nfs/dbraw/zinc/78/16/15/206781615.db2.gz	RLSABCGBXGRBKO-DAFODLJHSA-N	-1	0	377.154	2.798	50	5		GFBARM
O=C(Cn1c2ccccc2c(=O)c2ccccc21)/N=c1\[n-]ncn1-c1ccccc1	ZINC000095456426	208185453	/nfs/dbraw/zinc/18/54/53/208185453.db2.gz	VWLXQEUMQOHXIX-UHFFFAOYSA-N	-1	0	395.422	2.796	50	5		GFBARM
O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000005330040	136194738	/nfs/dbraw/zinc/19/47/38/136194738.db2.gz	YGLDFYAEPDIBPZ-UHFFFAOYSA-N	-1	0	375.406	2.913	50	5		GFBARM
O=C([N-]N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O)c1ccco1	ZINC000001200990	206366569	/nfs/dbraw/zinc/36/65/69/206366569.db2.gz	FDUPIPVBBJIGPM-UHFFFAOYSA-N	-1	0	393.311	2.921	50	5		GFBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	ZINC000004134537	209082272	/nfs/dbraw/zinc/08/22/72/209082272.db2.gz	LWSOOILSFLGAJX-CYBMUJFWSA-N	-1	0	384.797	2.743	50	5		GFBARM
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036144755	570548555	/nfs/dbraw/zinc/54/85/55/570548555.db2.gz	SRSCUGHBNZQINW-INIZCTEOSA-N	-1	0	375.381	2.804	50	5		GFBARM
COc1cc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)o2)cc(OC)c1OC	ZINC000009274688	206309983	/nfs/dbraw/zinc/30/99/83/206309983.db2.gz	IDSPXGNKEXUPRE-UHFFFAOYSA-N	-1	0	390.308	2.516	50	5		GFBARM
Cc1cnc([N+](=O)[O-])n1CCOC([O-])=NC(=O)c1ccc(Cl)c(Cl)c1	ZINC000001422367	206380099	/nfs/dbraw/zinc/38/00/99/206380099.db2.gz	UQTIUECFCYIIIV-UHFFFAOYSA-N	-1	0	387.179	2.973	50	5		GFBARM
Cc1cnc([N+](=O)[O-])n1CCOC([O-])=NC(=O)c1ccc(C(F)(F)F)cc1	ZINC000001425575	206380751	/nfs/dbraw/zinc/38/07/51/206380751.db2.gz	BNBSLRROPHJDDK-UHFFFAOYSA-N	-1	0	386.286	2.685	50	5		GFBARM
COc1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)cc1[N+](=O)[O-]	ZINC000032097958	207392561	/nfs/dbraw/zinc/39/25/61/207392561.db2.gz	XAVJBAWWXFGREP-UHFFFAOYSA-N	-1	0	391.409	2.730	50	5		GFBARM
COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)nn1	ZINC000005204247	570506103	/nfs/dbraw/zinc/50/61/03/570506103.db2.gz	UTCZGLLJMWXCSQ-UHFFFAOYSA-N	-1	0	386.389	2.861	50	5		GFBARM
CCN(CC)C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000000819380	206324431	/nfs/dbraw/zinc/32/44/31/206324431.db2.gz	NJPLTJJVDDVFSW-MRXNPFEDSA-N	-1	0	391.811	2.702	50	5		GFBARM
Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc3cccnc32)cc1[N+](=O)[O-]	ZINC000089651391	208106440	/nfs/dbraw/zinc/10/64/40/208106440.db2.gz	STFSHXZDXIYCHL-UHFFFAOYSA-N	-1	0	385.401	2.711	50	5		GFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nncn2-c2ccccc2)c(Cl)c1	ZINC000225532198	553059364	/nfs/dbraw/zinc/05/93/64/553059364.db2.gz	DALLEXNINQUIHE-UHFFFAOYSA-N	-1	0	379.785	2.630	50	5		GFBARM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005041685	570404558	/nfs/dbraw/zinc/40/45/58/570404558.db2.gz	VGDSOFVLXANPGD-UHFFFAOYSA-N	-1	0	377.422	2.844	50	5		GFBARM
C[C@H]1c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc3c2N(CCC3)C1=O	ZINC000005153781	570429413	/nfs/dbraw/zinc/42/94/13/570429413.db2.gz	HGASXFTWMPUWII-NSHDSACASA-N	-1	0	387.417	2.792	50	5		GFBARM
CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036035471	570516320	/nfs/dbraw/zinc/51/63/20/570516320.db2.gz	RKFOOAFLMNNZEV-HWPZZCPQSA-N	-1	0	377.397	2.908	50	5		GFBARM
O=C([O-])C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	ZINC000004134538	570961220	/nfs/dbraw/zinc/96/12/20/570961220.db2.gz	LWSOOILSFLGAJX-ZDUSSCGKSA-N	-1	0	384.797	2.743	50	5		GFBARM
CCCN1C(=S)N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)C(C(=O)OCC)=C1C	ZINC000023219301	570987302	/nfs/dbraw/zinc/98/73/02/570987302.db2.gz	DYCQRZLWGISFAB-HNNXBMFYSA-N	-1	0	379.438	2.779	50	5		GFBARM
CCN(CC)C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000000819381	206324462	/nfs/dbraw/zinc/32/44/62/206324462.db2.gz	NJPLTJJVDDVFSW-INIZCTEOSA-N	-1	0	391.811	2.702	50	5		GFBARM
CCn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCC(=O)[O-]	ZINC000004414168	570374370	/nfs/dbraw/zinc/37/43/70/570374370.db2.gz	VDFZICVVGYZNTQ-UHFFFAOYSA-N	-1	0	394.456	2.991	50	5		GFBARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000006623497	206657549	/nfs/dbraw/zinc/65/75/49/206657549.db2.gz	MSPAGXSIGAHMMI-UHFFFAOYSA-N	-1	0	380.378	2.581	50	5		GFBARM
O=C([O-])COc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000013945523	207004174	/nfs/dbraw/zinc/00/41/74/207004174.db2.gz	NHSAAWPJEIMUAP-UHFFFAOYSA-N	-1	0	376.390	2.930	50	5		GFBARM
Nc1nc(SCc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1NC(=O)c1ccccc1	ZINC000005078340	570413159	/nfs/dbraw/zinc/41/31/59/570413159.db2.gz	MAIWRMAHSUXJEI-UHFFFAOYSA-N	-1	0	397.416	2.805	50	5		GFBARM
CC(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000001175021	570787571	/nfs/dbraw/zinc/78/75/71/570787571.db2.gz	OTLUXYGASMZFOV-UHFFFAOYSA-N	-1	0	377.422	2.781	50	5		GFBARM
O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1[N-]c1ccc(Cl)cc1	ZINC000004813619	570997877	/nfs/dbraw/zinc/99/78/77/570997877.db2.gz	CIPODXDHKDAWJH-UHFFFAOYSA-N	-1	0	389.755	2.582	50	5	aggregator	GFBARM
COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000001444571	206381581	/nfs/dbraw/zinc/38/15/81/206381581.db2.gz	MQVHWESMBXYOKX-AWEZNQCLSA-N	-1	0	398.318	2.689	50	5		GFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1	ZINC000017080471	207083708	/nfs/dbraw/zinc/08/37/08/207083708.db2.gz	NAVMFYJTMBHCSC-UHFFFAOYSA-N	-1	0	393.812	2.689	50	5		GFBARM
O=C([O-])C[C@@]1(C(=O)NC2CCCCCC2)CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000008743483	208697697	/nfs/dbraw/zinc/69/76/97/208697697.db2.gz	JUNVQALRXLAYLY-LJQANCHMSA-N	-1	0	389.408	2.772	50	5		GFBARM
COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000007813541	221013080	/nfs/dbraw/zinc/01/30/80/221013080.db2.gz	FWMTWXBHKKLKTG-UHFFFAOYSA-N	-1	0	386.769	2.756	50	5		GFBARM
COC(=O)c1ccc(-c2cc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])co2)cc1	ZINC000005100327	570416642	/nfs/dbraw/zinc/41/66/42/570416642.db2.gz	YVAMVHYYRAKPOR-FARCUNLSSA-N	-1	0	383.316	2.601	50	5		GFBARM
COc1ccccc1NC(=O)c1nc[n-]c1C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000005151889	570428263	/nfs/dbraw/zinc/42/82/63/570428263.db2.gz	NRHGNSXLFBMFNE-UHFFFAOYSA-N	-1	0	381.348	2.831	50	5		GFBARM
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000006843977	570645903	/nfs/dbraw/zinc/64/59/03/570645903.db2.gz	KFVCCGLGGHADNX-CQSZACIVSA-N	-1	0	378.406	2.706	50	5		GFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3ccc4nncn4n3)c2)c1	ZINC000009829206	206373374	/nfs/dbraw/zinc/37/33/74/206373374.db2.gz	DNMULEIWCBVBSW-UHFFFAOYSA-N	-1	0	396.388	2.500	50	5		GFBARM
O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccn1)c1ccc([N+](=O)[O-])cc1	ZINC000001439733	206382074	/nfs/dbraw/zinc/38/20/74/206382074.db2.gz	KYQKPQDQMLBKQB-GOSISDBHSA-N	-1	0	389.371	2.901	50	5		GFBARM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)o1	ZINC000035864429	570466352	/nfs/dbraw/zinc/46/63/52/570466352.db2.gz	OFSOKXYGJYIGDY-UHFFFAOYSA-N	-1	0	386.183	2.783	50	5		GFBARM
O=C([O-])CCc1nc2cc(F)ccc2c2nc(=O)c(-c3ccc(F)cc3)nn12	ZINC000071924129	570575699	/nfs/dbraw/zinc/57/56/99/570575699.db2.gz	OMZCWGSARJQNQD-UHFFFAOYSA-N	-1	0	382.326	2.600	50	5		GFBARM
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C2=O	ZINC000004563466	570891026	/nfs/dbraw/zinc/89/10/26/570891026.db2.gz	UPASNDJBYUXPHG-DLBZAZTESA-N	-1	0	386.360	2.607	50	5		GFBARM
O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004686997	209512315	/nfs/dbraw/zinc/51/23/15/209512315.db2.gz	OFIWXWWFEMWKDC-AWEZNQCLSA-N	-1	0	384.797	2.743	50	5		GFBARM
O=C([O-])c1cccc(N[C@@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000002321109	209356379	/nfs/dbraw/zinc/35/63/79/209356379.db2.gz	LNIVCWBOVMLVDX-CQSZACIVSA-N	-1	0	387.373	2.927	50	5		GFBARM
Cc1nc(C2([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CCCCCC2)no1	ZINC000024689178	570279020	/nfs/dbraw/zinc/27/90/20/570279020.db2.gz	PZPRQCPSLLUISJ-UHFFFAOYSA-N	-1	0	380.426	2.814	50	5		GFBARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000004594614	570627611	/nfs/dbraw/zinc/62/76/11/570627611.db2.gz	CSRLMEWYWKDXQG-HNNXBMFYSA-N	-1	0	388.376	2.948	50	5		GFBARM
O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)c(F)cc2N1	ZINC000032933539	570947483	/nfs/dbraw/zinc/94/74/83/570947483.db2.gz	METKZDOQMFRULZ-UHFFFAOYSA-N	-1	0	383.332	2.559	50	5		GFBARM
O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004686944	570831147	/nfs/dbraw/zinc/83/11/47/570831147.db2.gz	LXGWWTWJNYCXST-OAHLLOKOSA-N	-1	0	398.824	2.884	50	5		GFBARM
Cc1c(OCC(=O)N2CCC(C(=O)[O-])CC2)ccc2c3ccccc3c(=O)oc12	ZINC000002120010	570953814	/nfs/dbraw/zinc/95/38/14/570953814.db2.gz	KEEVAKDTDRFWQI-UHFFFAOYSA-N	-1	0	395.411	2.957	50	5		GFBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1[N+](=O)[O-]	ZINC000007726626	571024620	/nfs/dbraw/zinc/02/46/20/571024620.db2.gz	GMIYVANDDSNZOY-UHFFFAOYSA-N	-1	0	391.405	2.531	50	5		GFBARM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001128025	220476806	/nfs/dbraw/zinc/47/68/06/220476806.db2.gz	PXZUROVHYIEDKV-GFCCVEGCSA-N	-1	0	377.422	2.924	50	5		GFBARM
C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2[N+](=O)[O-])C1	ZINC000095969625	136182872	/nfs/dbraw/zinc/18/28/72/136182872.db2.gz	QQAIWHRQFOSQSG-ZFWWWQNUSA-N	-1	0	375.425	2.768	50	5		GFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(F)c(Cl)c3)[n+]2[O-])cc1	ZINC000004924095	570370583	/nfs/dbraw/zinc/37/05/83/570370583.db2.gz	JYYDELPMJROVRZ-UHFFFAOYSA-N	-1	0	379.735	2.959	50	5		GFBARM
O=C([O-])CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	ZINC000004993994	570391685	/nfs/dbraw/zinc/39/16/85/570391685.db2.gz	GUPOHRAUFBNFBJ-UHFFFAOYSA-N	-1	0	386.389	2.931	50	5		GFBARM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000007709391	571019357	/nfs/dbraw/zinc/01/93/57/571019357.db2.gz	CQGUNVVNZIKSIS-UHFFFAOYSA-N	-1	0	393.421	2.544	50	5		GFBARM
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013260060	210056009	/nfs/dbraw/zinc/05/60/09/210056009.db2.gz	GSIJQJITJJTDST-INIZCTEOSA-N	-1	0	383.360	2.510	50	5		GFBARM
COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1[N+](=O)[O-]	ZINC000002221452	209351634	/nfs/dbraw/zinc/35/16/34/209351634.db2.gz	NJMQORSMCZXZIA-UHFFFAOYSA-N	-1	0	389.389	2.737	50	5		GFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-c2ccc3nncn3n2)c1	ZINC000014057001	570283863	/nfs/dbraw/zinc/28/38/63/570283863.db2.gz	ISHUXWGYAIPPPB-UHFFFAOYSA-N	-1	0	396.388	2.500	50	5		GFBARM
O=C([N-]N1C(=O)S/C(=C\c2ccccc2O)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000022170590	570800421	/nfs/dbraw/zinc/80/04/21/570800421.db2.gz	QFLJGWNUPXDOQQ-ZROIWOOFSA-N	-1	0	385.357	2.682	50	5		GFBARM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	ZINC000004134540	212031308	/nfs/dbraw/zinc/03/13/08/212031308.db2.gz	RRKJMUPYYYTTHR-ZDUSSCGKSA-N	-1	0	384.797	2.743	50	5		GFBARM
O=C([O-])C[C@@]1(C(=O)Nc2ccc(F)cc2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000008771039	221058145	/nfs/dbraw/zinc/05/81/45/221058145.db2.gz	BZMIXGBOXLFQNH-GOSISDBHSA-N	-1	0	387.323	2.711	50	5		GFBARM
CCOc1ccc(Br)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000004020496	551094227	/nfs/dbraw/zinc/09/42/27/551094227.db2.gz	CDBAABWTAILRGD-HWKANZROSA-N	-1	0	382.170	2.715	50	5		GFBARM
CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1Br	ZINC000009234847	551103524	/nfs/dbraw/zinc/10/35/24/551103524.db2.gz	IQJCHRAOVFKNLZ-GQCTYLIASA-N	-1	0	382.170	2.715	50	5		GFBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000004877424	570352006	/nfs/dbraw/zinc/35/20/06/570352006.db2.gz	OSUVUJQGZNCUFN-UHFFFAOYSA-N	-1	0	389.433	2.940	50	5		GFBARM
CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036035474	570516112	/nfs/dbraw/zinc/51/61/12/570516112.db2.gz	RKFOOAFLMNNZEV-MGPLVRAMSA-N	-1	0	377.397	2.908	50	5		GFBARM
CCCCn1c(=O)c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c([O-])[nH]c1=S	ZINC000101495440	570825515	/nfs/dbraw/zinc/82/55/15/570825515.db2.gz	MCEZXNCIZBSDSQ-LBPRGKRZSA-N	-1	0	389.437	2.758	50	5		GFBARM
O=C([O-])c1ccc(N[C@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000004271917	209475014	/nfs/dbraw/zinc/47/50/14/209475014.db2.gz	JLENHWYNKUJUEE-AWEZNQCLSA-N	-1	0	387.373	2.927	50	5		GFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1	ZINC000005329478	570554892	/nfs/dbraw/zinc/55/48/92/570554892.db2.gz	WSMIYOVWVMMVTM-UHFFFAOYSA-N	-1	0	375.406	2.831	50	5		GFBARM
COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1cccc([N+](=O)[O-])c1)N(C)C2=O	ZINC000004563465	570890951	/nfs/dbraw/zinc/89/09/51/570890951.db2.gz	UPASNDJBYUXPHG-SJORKVTESA-N	-1	0	386.360	2.607	50	5		GFBARM
O=C([N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000104579973	570901239	/nfs/dbraw/zinc/90/12/39/570901239.db2.gz	NLRUYUBQGJTFDH-UHFFFAOYSA-N	-1	0	377.225	2.572	50	5		GFBARM
CC(C)C[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)[O-]	ZINC000002124892	570958010	/nfs/dbraw/zinc/95/80/10/570958010.db2.gz	NRZMWMWXGTYBQA-KRWDZBQOSA-N	-1	0	383.400	2.941	50	5		GFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000004716037	209516384	/nfs/dbraw/zinc/51/63/84/209516384.db2.gz	CKMTVRGSQXEIHR-AWEZNQCLSA-N	-1	0	382.369	2.537	50	5		GFBARM
COc1cc(OC)cc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)o2)c1	ZINC000009511429	209276527	/nfs/dbraw/zinc/27/65/27/209276527.db2.gz	XSKKKSAPMWJFLN-UHFFFAOYSA-N	-1	0	376.350	2.976	50	5		GFBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(Br)cn2)c([N+](=O)[O-])c1	ZINC000100930510	211394315	/nfs/dbraw/zinc/39/43/15/211394315.db2.gz	PUGSBECPEDTSRU-UHFFFAOYSA-N	-1	0	384.102	2.734	50	5		GFBARM
COc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000005283772	570541601	/nfs/dbraw/zinc/54/16/01/570541601.db2.gz	LMYNCVKTPZQXJN-UHFFFAOYSA-N	-1	0	385.420	2.834	50	5		GFBARM
Cc1cnc([N+](=O)[O-])n1CCOC([O-])=NC(=O)c1ccc(Cl)cc1Cl	ZINC000001425576	571000334	/nfs/dbraw/zinc/00/03/34/571000334.db2.gz	DPOKPQNIZMZNSF-UHFFFAOYSA-N	-1	0	387.179	2.973	50	5		GFBARM
O=C(/C=C\c1cccc(Cl)c1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000222210949	655422084	/nfs/dbraw/zinc/42/20/84/655422084.db2.gz	YKIUWKRAERPRIM-FPLPWBNLSA-N	-1	0	384.772	2.906	50	5		GFBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c2ccccc2n(C)c1C(=O)[O-]	ZINC000003660304	220663262	/nfs/dbraw/zinc/66/32/62/220663262.db2.gz	HOZHIBYYDXEKLF-UHFFFAOYSA-N	-1	0	383.360	2.975	50	5		GFBARM
O=C([O-])[C@H]1Cc2cc([N+](=O)[O-])ccc2N(CCCCC(=O)c2cccnc2)C1=O	ZINC000009135239	221071983	/nfs/dbraw/zinc/07/19/83/221071983.db2.gz	VGMQQGPUWQQJFI-INIZCTEOSA-N	-1	0	397.387	2.633	50	5		GFBARM
O=C1CCSc2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc2N1	ZINC000015732042	221342372	/nfs/dbraw/zinc/34/23/72/221342372.db2.gz	WTHFDCQRJAUEFW-UHFFFAOYSA-N	-1	0	379.419	2.830	50	5		GFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)c(Br)c1	ZINC000170609090	551635770	/nfs/dbraw/zinc/63/57/70/551635770.db2.gz	SWDRUPUXLUQYQM-UHFFFAOYSA-N	-1	0	393.606	2.602	50	5		GFBARM
COc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc(OC)c1OC	ZINC000004661493	570813174	/nfs/dbraw/zinc/81/31/74/570813174.db2.gz	FHLDWZVUEXJABN-UHFFFAOYSA-N	-1	0	376.321	2.571	50	5		GFBARM
CN1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000065329802	222123629	/nfs/dbraw/zinc/12/36/29/222123629.db2.gz	XWSFMGIYOLBZGP-UHFFFAOYSA-N	-1	0	398.375	2.574	50	5		GFBARM
CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1	ZINC000072408105	222255328	/nfs/dbraw/zinc/25/53/28/222255328.db2.gz	CXGRMHYAJWFNNC-UHFFFAOYSA-N	-1	0	380.378	2.566	50	5		GFBARM
O=C([N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100494287	570373493	/nfs/dbraw/zinc/37/34/93/570373493.db2.gz	FXSXEDOTGREJNM-UHFFFAOYSA-N	-1	0	377.225	2.572	50	5		GFBARM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1O	ZINC000170610497	570866924	/nfs/dbraw/zinc/86/69/24/570866924.db2.gz	CVVPYTKVRRRLGZ-UHFFFAOYSA-N	-1	0	398.368	2.644	50	5		GFBARM
Cc1ncc([N+](=O)[O-])n1CCOC([O-])=NC(=O)c1cccc(C(F)(F)F)c1	ZINC000001425522	212243691	/nfs/dbraw/zinc/24/36/91/212243691.db2.gz	HSMMCDLKHGLRRL-UHFFFAOYSA-N	-1	0	386.286	2.685	50	5		GFBARM
O=[N+]([O-])c1cnn(CCc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c1	ZINC000002731597	220558539	/nfs/dbraw/zinc/55/85/39/220558539.db2.gz	GIIIBGMPIIUZDQ-UHFFFAOYSA-N	-1	0	396.436	2.874	50	5		GFBARM
O=C(Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)N1CCCC1	ZINC000009467843	221081662	/nfs/dbraw/zinc/08/16/62/221081662.db2.gz	IVISSPBAKPXUQG-UHFFFAOYSA-N	-1	0	389.433	2.561	50	5		GFBARM
O=C([O-])c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1O	ZINC000005636326	136194952	/nfs/dbraw/zinc/19/49/52/136194952.db2.gz	ZIJOKSFAMNIITK-UHFFFAOYSA-N	-1	0	378.296	2.952	50	5		GFBARM
Nc1nc([N-]c2ccccc2[N+](=O)[O-])nc(OC(C(F)(F)F)C(F)(F)F)n1	ZINC000004599959	570633237	/nfs/dbraw/zinc/63/32/37/570633237.db2.gz	ASOGLMLUKUXYMQ-UHFFFAOYSA-N	-1	0	398.223	2.978	50	5		GFBARM
O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC000221760227	570887778	/nfs/dbraw/zinc/88/77/78/570887778.db2.gz	FUBIFXSRJGIYJV-NKTIYDDZSA-N	-1	0	376.365	2.864	50	5		GFBARM
CC(C)Cn1c(=O)cc([O-])nc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000071794624	570893864	/nfs/dbraw/zinc/89/38/64/570893864.db2.gz	DSXARZGPGQUYOQ-NSHDSACASA-N	-1	0	392.437	2.632	50	5		GFBARM
Cc1cc([O-])c(C(c2ccc([N+](=O)[O-])cc2)c2c([O-])cc(C)oc2=O)c(=O)o1	ZINC000004777800	570975835	/nfs/dbraw/zinc/97/58/35/570975835.db2.gz	HYWYHSJBMSGAOX-UHFFFAOYSA-N	-1	0	385.328	2.709	50	5		GFBARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1	ZINC000001115652	212219397	/nfs/dbraw/zinc/21/93/97/212219397.db2.gz	AIJPORYYCTUIJF-UHFFFAOYSA-N	-1	0	380.378	2.581	50	5		GFBARM
COc1cccc(C(=O)NCc2n[n-]c(=S)n2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000005128742	570422397	/nfs/dbraw/zinc/42/23/97/570422397.db2.gz	WJCMBVXGERGGKI-UHFFFAOYSA-N	-1	0	385.405	2.777	50	5		GFBARM
CCOC(=O)c1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000004503140	570817377	/nfs/dbraw/zinc/81/73/77/570817377.db2.gz	WEGONPJZDJQZCN-VQHVLOKHSA-N	-1	0	397.343	2.991	50	5		GFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000004716038	570856607	/nfs/dbraw/zinc/85/66/07/570856607.db2.gz	CKMTVRGSQXEIHR-CQSZACIVSA-N	-1	0	382.369	2.537	50	5		GFBARM
Cc1c(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c3ccccc3c(=O)oc12	ZINC000002124622	230824202	/nfs/dbraw/zinc/82/42/02/230824202.db2.gz	RRXCYEKIPMEZLE-SFHVURJKSA-N	-1	0	383.400	2.859	50	5		GFBARM
CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)[O-]	ZINC000002115481	220504407	/nfs/dbraw/zinc/50/44/07/220504407.db2.gz	QLTMYRPBRYJFFD-BLVKFPJESA-N	-1	0	383.400	2.941	50	5		GFBARM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000010720924	221107569	/nfs/dbraw/zinc/10/75/69/221107569.db2.gz	CJLSMRYMMDCZEO-UHFFFAOYSA-N	-1	0	378.797	2.818	50	5		GFBARM
O=C([O-])C[C@]1(C(=O)NC2CCCCCC2)CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000005486947	570613875	/nfs/dbraw/zinc/61/38/75/570613875.db2.gz	JUNVQALRXLAYLY-IBGZPJMESA-N	-1	0	389.408	2.772	50	5		GFBARM
COC(=O)c1cccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c1	ZINC000004742512	570954740	/nfs/dbraw/zinc/95/47/40/570954740.db2.gz	ONALWMIHBHUWRW-FNORWQNLSA-N	-1	0	383.316	2.601	50	5		GFBARM
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1S(=O)(=O)[O-]	ZINC000003666177	551094392	/nfs/dbraw/zinc/09/43/92/551094392.db2.gz	PCJPDJFWFDTFLW-UHFFFAOYSA-N	-1	0	379.375	2.704	50	5		GFBARM
O=C([O-])Cc1csc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1	ZINC000006549787	570473055	/nfs/dbraw/zinc/47/30/55/570473055.db2.gz	MXKCFYKCXYCCED-UHFFFAOYSA-N	-1	0	390.421	2.921	50	5		GFBARM
O=C([O-])C[C@H](NS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004686941	570831252	/nfs/dbraw/zinc/83/12/52/570831252.db2.gz	LXGWWTWJNYCXST-HNNXBMFYSA-N	-1	0	398.824	2.884	50	5		GFBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	ZINC000004134539	570961152	/nfs/dbraw/zinc/96/11/52/570961152.db2.gz	RRKJMUPYYYTTHR-CYBMUJFWSA-N	-1	0	384.797	2.743	50	5		GFBARM
O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000015940618	221352767	/nfs/dbraw/zinc/35/27/67/221352767.db2.gz	IPNVEIPZLWGBFM-UHFFFAOYSA-N	-1	0	398.375	2.754	50	5		GFBARM
COc1cc([N+](=O)[O-])cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc21	ZINC000005557787	551098220	/nfs/dbraw/zinc/09/82/20/551098220.db2.gz	ONFOFEAKZSLNQT-UHFFFAOYSA-N	-1	0	379.419	2.744	50	5		GFBARM
Nc1nc(SCc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1NC(=O)c1ccccc1	ZINC000005078323	570413202	/nfs/dbraw/zinc/41/32/02/570413202.db2.gz	XRNXSLVKRXMQKZ-UHFFFAOYSA-N	-1	0	397.416	2.805	50	5		GFBARM
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036144756	570548446	/nfs/dbraw/zinc/54/84/46/570548446.db2.gz	SRSCUGHBNZQINW-MRXNPFEDSA-N	-1	0	375.381	2.804	50	5		GFBARM