smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1C(=O)[O-]	ZINC000006571308	206241459	/nfs/dbraw/zinc/24/14/59/206241459.db2.gz	VGQQJRNBHWPMTH-UHFFFAOYSA-N	-1	0	359.363	2.728	40	5		FFBBRM
O=C([O-])CN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	ZINC000409131754	263532413	/nfs/dbraw/zinc/53/24/13/263532413.db2.gz	JSGOBIXAFMQIHP-MDWZMJQESA-N	-1	0	373.346	2.506	40	5		FFBBRM
CCN(Cc1ccccc1)c1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000256049270	509943614	/nfs/dbraw/zinc/94/36/14/509943614.db2.gz	ZDAUJCSALJMMNC-UHFFFAOYSA-N	-1	0	367.365	2.900	40	5		FFBBRM
CCCCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000005680898	204220517	/nfs/dbraw/zinc/22/05/17/204220517.db2.gz	UAXLBAVZTPIMAL-UHFFFAOYSA-N	-1	0	356.429	2.980	40	5		FFBBRM
CC(C)(C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	ZINC000003016569	206157160	/nfs/dbraw/zinc/15/71/60/206157160.db2.gz	AXYGKNHCUDCLCU-UHFFFAOYSA-N	-1	0	351.344	2.904	40	5		FFBBRM
O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccccc2Cl)c1	ZINC000013187258	206301922	/nfs/dbraw/zinc/30/19/22/206301922.db2.gz	YJHYCVVYPWQOJE-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000218395013	206370113	/nfs/dbraw/zinc/37/01/13/206370113.db2.gz	VWPVMVGBNOLFPV-UHFFFAOYSA-N	-1	0	369.786	2.872	40	5		FFBBRM
CC(C)Sc1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000223201728	509330382	/nfs/dbraw/zinc/33/03/82/509330382.db2.gz	ZYVORARPQWOSKR-UHFFFAOYSA-N	-1	0	360.442	2.748	40	5		FFBBRM
CC(=O)c1cccc(NC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1	ZINC000217725125	518430463	/nfs/dbraw/zinc/43/04/63/518430463.db2.gz	JJGMPEIHAMWZTB-UHFFFAOYSA-N	-1	0	358.306	2.513	40	5		FFBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005598817	206240184	/nfs/dbraw/zinc/24/01/84/206240184.db2.gz	JGVQMWSVEWWKAU-UHFFFAOYSA-N	-1	0	351.340	2.921	40	5		FFBBRM
Cc1c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000006571319	206242522	/nfs/dbraw/zinc/24/25/22/206242522.db2.gz	JHWHGENGKXFUJE-UHFFFAOYSA-N	-1	0	359.363	2.728	40	5		FFBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014256668	206309333	/nfs/dbraw/zinc/30/93/33/206309333.db2.gz	UEXIKMIFYLODFV-UHFFFAOYSA-N	-1	0	350.352	2.572	40	5		FFBBRM
CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC)cc1[N+](=O)[O-]	ZINC000020142444	220316020	/nfs/dbraw/zinc/31/60/20/220316020.db2.gz	VHWAHOSHKZGVFN-UHFFFAOYSA-N	-1	0	360.322	2.953	40	5		FFBBRM
COc1ccc(C)cc1NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000013187240	506932314	/nfs/dbraw/zinc/93/23/14/506932314.db2.gz	RCWNHYJZCFZKQK-UHFFFAOYSA-N	-1	0	360.322	2.628	40	5		FFBBRM
COc1ccc(-c2cc(=O)n(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[n-]2)cc1	ZINC000016216450	507079493	/nfs/dbraw/zinc/07/94/93/507079493.db2.gz	RTECXKDATMLCIC-UHFFFAOYSA-N	-1	0	356.294	2.653	40	5		FFBBRM
O=C([O-])COCC(=O)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1	ZINC000003077446	204076758	/nfs/dbraw/zinc/07/67/58/204076758.db2.gz	LMVWTUHVULOKMV-UHFFFAOYSA-N	-1	0	364.285	2.566	40	5		FFBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000010112373	206255527	/nfs/dbraw/zinc/25/55/27/206255527.db2.gz	JJSMSDNODKQCLR-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
CCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000036542266	506406817	/nfs/dbraw/zinc/40/68/17/506406817.db2.gz	DEGUXGDBTZHCRR-UHFFFAOYSA-N	-1	0	361.379	2.826	40	5		FFBBRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1	ZINC000039767043	506454838	/nfs/dbraw/zinc/45/48/38/506454838.db2.gz	KUPJJFPXMODWRM-UHFFFAOYSA-N	-1	0	362.392	2.914	40	5		FFBBRM
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1	ZINC000100998454	508240924	/nfs/dbraw/zinc/24/09/24/508240924.db2.gz	XOXPUIDOIMUOGS-HNNXBMFYSA-N	-1	0	370.390	2.552	40	5		FFBBRM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)N1	ZINC000408994285	513096405	/nfs/dbraw/zinc/09/64/05/513096405.db2.gz	YZCJCLXTDPLWIM-HZMBPMFUSA-N	-1	0	363.420	2.929	40	5		FFBBRM
Cc1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000409251622	513100685	/nfs/dbraw/zinc/10/06/85/513100685.db2.gz	PZVCUKGYHMOSJR-NTEUORMPSA-N	-1	0	353.334	2.702	40	5		FFBBRM
CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036231185	204366774	/nfs/dbraw/zinc/36/67/74/204366774.db2.gz	JDGMCUQEQDJNSE-OAHLLOKOSA-N	-1	0	363.370	2.662	40	5		FFBBRM
CCCSc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000041017636	205087727	/nfs/dbraw/zinc/08/77/27/205087727.db2.gz	HWNBBEWFLFDDSB-UHFFFAOYSA-N	-1	0	360.442	2.749	40	5		FFBBRM
COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cccnc12	ZINC000129612507	206125694	/nfs/dbraw/zinc/12/56/94/206125694.db2.gz	AHGZYYDSSDBNTG-UHFFFAOYSA-N	-1	0	359.363	2.952	40	5		FFBBRM
Cc1cc2c(nc3s/c(=C\c4cc([N+](=O)[O-])ccc4[O-])c(=O)n23)c(C)c1	ZINC000033608368	506360131	/nfs/dbraw/zinc/36/01/31/506360131.db2.gz	PSKOMQNLSPKDTK-NVNXTCNLSA-N	-1	0	367.386	2.688	40	5		FFBBRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000071979798	507731554	/nfs/dbraw/zinc/73/15/54/507731554.db2.gz	RDOQHEPCGHOXAP-CYBMUJFWSA-N	-1	0	368.773	2.834	40	5		FFBBRM
CC(C)Sc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000225339895	206476065	/nfs/dbraw/zinc/47/60/65/206476065.db2.gz	IUXCXPWZCQOZPC-UHFFFAOYSA-N	-1	0	360.442	2.748	40	5		FFBBRM
COc1ccc(/C=C/C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000036285931	506399508	/nfs/dbraw/zinc/39/95/08/506399508.db2.gz	QSLBGGAUXIFQEX-RUDMXATFSA-N	-1	0	373.390	2.835	40	5		FFBBRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006316205	506475925	/nfs/dbraw/zinc/47/59/25/506475925.db2.gz	BJLXJAJHBXQBSV-UHFFFAOYSA-N	-1	0	363.395	2.535	40	5		FFBBRM
CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000013672116	506949692	/nfs/dbraw/zinc/94/96/92/506949692.db2.gz	BVMAVXASJHNNPN-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
O=C([O-])c1ccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000013091807	506929196	/nfs/dbraw/zinc/92/91/96/506929196.db2.gz	MBNHHWVLFCZFMA-UHFFFAOYSA-N	-1	0	369.377	2.823	40	5		FFBBRM
CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000013632289	220079984	/nfs/dbraw/zinc/07/99/84/220079984.db2.gz	HVAPGWSGWHLQSS-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C	ZINC000013675615	506951268	/nfs/dbraw/zinc/95/12/68/506951268.db2.gz	ZXSIPPFYDYIGCM-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
O=C([O-])c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1O	ZINC000020142742	507213375	/nfs/dbraw/zinc/21/33/75/507213375.db2.gz	PWLBDLYSELUESV-UHFFFAOYSA-N	-1	0	371.349	2.851	40	5		FFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1OC	ZINC000223690998	509345953	/nfs/dbraw/zinc/34/59/53/509345953.db2.gz	WIIWTJBVVHSIAT-UHFFFAOYSA-N	-1	0	356.331	2.552	40	5		FFBBRM
COc1ccc(NC(=O)c2oc3cc([O-])ccc3c(=O)c2C)c([N+](=O)[O-])c1	ZINC000006483528	207142297	/nfs/dbraw/zinc/14/22/97/207142297.db2.gz	DOVKYDWWMKJBQG-UHFFFAOYSA-N	-1	0	370.317	2.976	40	5		FFBBRM
CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000014012401	506962318	/nfs/dbraw/zinc/96/23/18/506962318.db2.gz	AYQWYCXNXYVJGY-UHFFFAOYSA-N	-1	0	361.379	2.826	40	5		FFBBRM
O=C([O-])c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1O	ZINC000020142740	507213232	/nfs/dbraw/zinc/21/32/32/507213232.db2.gz	HMPHYDKGZNLWDW-UHFFFAOYSA-N	-1	0	371.349	2.851	40	5		FFBBRM
COCCN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409122894	513099302	/nfs/dbraw/zinc/09/93/02/513099302.db2.gz	CSLZIRBRFNUDSD-BJMVGYQFSA-N	-1	0	358.759	2.637	40	5		FFBBRM
O=C([O-])CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1	ZINC000113889767	209339759	/nfs/dbraw/zinc/33/97/59/209339759.db2.gz	WRDNBJMBHWKXDE-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
COc1ccccc1[N-]c1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-]	ZINC000016248149	220181140	/nfs/dbraw/zinc/18/11/40/220181140.db2.gz	HXBJNTBPYURXBX-UHFFFAOYSA-N	-1	0	361.745	2.820	40	5		FFBBRM
CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000004241399	207009410	/nfs/dbraw/zinc/00/94/10/207009410.db2.gz	MMSLRHMTRUSAAU-RISCZKNCSA-N	-1	0	350.371	2.848	40	5		FFBBRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C	ZINC000013674055	506949041	/nfs/dbraw/zinc/94/90/41/506949041.db2.gz	XIBJYMDPSZKXKV-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
COc1ccc(OC)c([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1	ZINC000216453073	524870091	/nfs/dbraw/zinc/87/00/91/524870091.db2.gz	IGEPXQRCPJHWTO-UHFFFAOYSA-N	-1	0	352.368	2.554	40	5		FFBBRM
CCOc1ccccc1NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000013187340	506932871	/nfs/dbraw/zinc/93/28/71/506932871.db2.gz	ULXHMQMWACOCMD-UHFFFAOYSA-N	-1	0	360.322	2.709	40	5		FFBBRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000071979797	507732217	/nfs/dbraw/zinc/73/22/17/507732217.db2.gz	RDOQHEPCGHOXAP-ZDUSSCGKSA-N	-1	0	368.773	2.834	40	5		FFBBRM
O=c1nc2n(-c3ccccc3Cl)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000028642624	507733603	/nfs/dbraw/zinc/73/36/03/507733603.db2.gz	UTDFCHSAUFJDOO-UHFFFAOYSA-N	-1	0	368.736	2.740	40	5		FFBBRM
CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036231187	207269768	/nfs/dbraw/zinc/26/97/68/207269768.db2.gz	JDGMCUQEQDJNSE-HNNXBMFYSA-N	-1	0	363.370	2.662	40	5		FFBBRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1	ZINC000014256195	506983023	/nfs/dbraw/zinc/98/30/23/506983023.db2.gz	KACJGFJNUWTTFN-UHFFFAOYSA-N	-1	0	352.368	2.721	40	5		FFBBRM
O=C([O-])CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113874604	508283719	/nfs/dbraw/zinc/28/37/19/508283719.db2.gz	MNJSGSFGYCHTFE-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
CC(C)(C)OC(=O)N1C[C@H](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC000004241417	207009183	/nfs/dbraw/zinc/00/91/83/207009183.db2.gz	MPEJCVTWUUJXPQ-OCCSQVGLSA-N	-1	0	350.371	2.848	40	5		FFBBRM
CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000004241049	207007398	/nfs/dbraw/zinc/00/73/98/207007398.db2.gz	ZXZASBNTHVRNBK-QGZVFWFLSA-N	-1	0	350.371	2.992	40	5		FFBBRM
O=C([O-])CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	ZINC000409135248	263531918	/nfs/dbraw/zinc/53/19/18/263531918.db2.gz	UAJHYVZOSQLWKP-QPEQYQDCSA-N	-1	0	374.330	2.976	40	5		FFBBRM
COc1cc([N+](=O)[O-])cc(-c2ccc(/C=C3/SC(=N)NC3=O)o2)c1[O-]	ZINC000408717981	513093004	/nfs/dbraw/zinc/09/30/04/513093004.db2.gz	JTZHFTQQHIFCAS-WUXMJOGZSA-N	-1	0	361.335	2.708	40	5		FFBBRM
O=C1N/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F	ZINC000409105111	513098633	/nfs/dbraw/zinc/09/86/33/513098633.db2.gz	GJXGGXCKXWWVAU-RIYZIHGNSA-N	-1	0	357.297	2.532	40	5		FFBBRM
Cc1ccc(CN2C(=O)N/C(=C/c3cc([O-])ccc3[N+](=O)[O-])C2=O)cc1	ZINC000409220873	513100146	/nfs/dbraw/zinc/10/01/46/513100146.db2.gz	HEHSXVYEJUAJQH-OQLLNIDSSA-N	-1	0	353.334	2.702	40	5		FFBBRM
Cc1cc2nc3s/c(=C\c4cccc([N+](=O)[O-])c4[O-])c(=O)n3c2cc1C	ZINC000033735955	506362423	/nfs/dbraw/zinc/36/24/23/506362423.db2.gz	CETCGWNTJMPHBO-NVNXTCNLSA-N	-1	0	367.386	2.688	40	5		FFBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000014400224	220123809	/nfs/dbraw/zinc/12/38/09/220123809.db2.gz	DBCOWUYHUPQIJW-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000007363502	506556738	/nfs/dbraw/zinc/55/67/38/506556738.db2.gz	QDSNZLHBWOLXJM-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
CCN(Cc1ccccc1)c1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000256048606	509942733	/nfs/dbraw/zinc/94/27/33/509942733.db2.gz	UTQHCWWLJLYBCC-UHFFFAOYSA-N	-1	0	367.365	2.900	40	5		FFBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	ZINC000409129029	513099015	/nfs/dbraw/zinc/09/90/15/513099015.db2.gz	QJDUORJRXBBMIG-NTUHNPAUSA-N	-1	0	374.330	2.976	40	5		FFBBRM
CCOc1ccc(NC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1	ZINC000013187520	211028109	/nfs/dbraw/zinc/02/81/09/211028109.db2.gz	LGWPKWGJCBRHAA-UHFFFAOYSA-N	-1	0	360.322	2.709	40	5		FFBBRM
CCOc1ccccc1NC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013053795	211021925	/nfs/dbraw/zinc/02/19/25/211021925.db2.gz	QTKRYXUAGXTTQZ-UHFFFAOYSA-N	-1	0	360.322	2.709	40	5		FFBBRM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000005214478	506428869	/nfs/dbraw/zinc/42/88/69/506428869.db2.gz	CYBFSBZIQFNIGU-UHFFFAOYSA-N	-1	0	357.731	2.957	40	5		FFBBRM
O=C([N-]N1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408755469	513094013	/nfs/dbraw/zinc/09/40/13/513094013.db2.gz	NVYYHRIHUWJGHN-UVTDQMKNSA-N	-1	0	369.358	2.976	40	5		FFBBRM
O=C([O-])[C@H]1CS[C@@H](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)N1	ZINC000408994288	513096977	/nfs/dbraw/zinc/09/69/77/513096977.db2.gz	YZCJCLXTDPLWIM-YGRLFVJLSA-N	-1	0	363.420	2.929	40	5		FFBBRM
Cc1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1C(C)(C)C	ZINC000014944842	220136226	/nfs/dbraw/zinc/13/62/26/220136226.db2.gz	DFVDHJMWARYDNV-UHFFFAOYSA-N	-1	0	355.441	2.880	40	5		FFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1	ZINC000007361125	506556975	/nfs/dbraw/zinc/55/69/75/506556975.db2.gz	QVACDEVRQWOTOY-UHFFFAOYSA-N	-1	0	356.331	2.552	40	5		FFBBRM
O=C([O-])CN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409125519	513098972	/nfs/dbraw/zinc/09/89/72/513098972.db2.gz	FWYZEXWZDRLZSS-MDWZMJQESA-N	-1	0	373.346	2.506	40	5		FFBBRM
CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000004241058	210518178	/nfs/dbraw/zinc/51/81/78/210518178.db2.gz	QCJFCQDCHVZNDM-QGZVFWFLSA-N	-1	0	350.371	2.992	40	5		FFBBRM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1F	ZINC000032595614	506268525	/nfs/dbraw/zinc/26/85/25/506268525.db2.gz	RYFXDQYKRLMBMG-UHFFFAOYSA-N	-1	0	356.331	2.552	40	5		FFBBRM
Cc1cc2nc3s/c(=C\c4cc([N+](=O)[O-])ccc4[O-])c(=O)n3c2cc1C	ZINC000033826628	506363858	/nfs/dbraw/zinc/36/38/58/506363858.db2.gz	ODPMOBMEONMBPH-PXNMLYILSA-N	-1	0	367.386	2.688	40	5		FFBBRM
CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000005511830	506445499	/nfs/dbraw/zinc/44/54/99/506445499.db2.gz	NNBWPRRYLORDHK-INIZCTEOSA-N	-1	0	358.350	2.939	40	5		FFBBRM
CCSc1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	ZINC000223466095	509340483	/nfs/dbraw/zinc/34/04/83/509340483.db2.gz	KNOWRBDOXDBNTO-UHFFFAOYSA-N	-1	0	360.442	2.668	40	5		FFBBRM
O=C([O-])[C@@H]1CS[C@H](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)N1	ZINC000408994286	513096571	/nfs/dbraw/zinc/09/65/71/513096571.db2.gz	YZCJCLXTDPLWIM-IINYFYTJSA-N	-1	0	363.420	2.929	40	5		FFBBRM
Cc1cccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3[O-])C2=O)c1	ZINC000409248665	513100799	/nfs/dbraw/zinc/10/07/99/513100799.db2.gz	HVWGPKZEGMXLRJ-NTEUORMPSA-N	-1	0	353.334	2.702	40	5		FFBBRM
Cc1ccc2nc3c(cc2c1)cc1c(=O)[n-]c(=O)nc-1n3Cc1ccco1	ZINC000041074106	210044833	/nfs/dbraw/zinc/04/48/33/210044833.db2.gz	NDJAAOFAKHUVHQ-UHFFFAOYSA-N	-1	0	358.357	2.688	40	5		FFBBRM
CCOc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000013053885	211022687	/nfs/dbraw/zinc/02/26/87/211022687.db2.gz	JXXPBXSDTTWDEU-UHFFFAOYSA-N	-1	0	360.322	2.709	40	5		FFBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1	ZINC000118276385	508643639	/nfs/dbraw/zinc/64/36/39/508643639.db2.gz	XAAKAMVNDJQIGI-UHFFFAOYSA-N	-1	0	362.392	2.914	40	5		FFBBRM
O=C([O-])c1ccc(Cl)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1	ZINC000013167546	220061560	/nfs/dbraw/zinc/06/15/60/220061560.db2.gz	BLGCNQCNWNQSNT-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
CC(=O)c1cccc(NC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000013053733	211022294	/nfs/dbraw/zinc/02/22/94/211022294.db2.gz	UAKRCYKPDVGJQQ-UHFFFAOYSA-N	-1	0	358.306	2.513	40	5		FFBBRM
O=C([O-])c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000020144872	220316415	/nfs/dbraw/zinc/31/64/15/220316415.db2.gz	SYUDBEOZNXMZLJ-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000026527413	507594751	/nfs/dbraw/zinc/59/47/51/507594751.db2.gz	NPUMLNBYAJERFX-UHFFFAOYSA-N	-1	0	370.770	2.836	40	5		FFBBRM
CC(C)CSc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000225806180	222870743	/nfs/dbraw/zinc/87/07/43/222870743.db2.gz	QGDSUPMYRZJOEI-UHFFFAOYSA-N	-1	0	374.469	2.995	40	5		FFBBRM
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000005133457	506424086	/nfs/dbraw/zinc/42/40/86/506424086.db2.gz	GYZQVXNOAIWLKL-UHFFFAOYSA-N	-1	0	364.379	2.721	40	5		FFBBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000006214447	506471607	/nfs/dbraw/zinc/47/16/07/506471607.db2.gz	PBRUEVFZPYNWGS-UHFFFAOYSA-N	-1	0	350.352	2.518	40	5		FFBBRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1	ZINC000014253964	506982948	/nfs/dbraw/zinc/98/29/48/506982948.db2.gz	VQXZMXQYCFAHFN-UHFFFAOYSA-N	-1	0	352.368	2.721	40	5		FFBBRM
O=C([N-]N1C(=O)S/C(=C\c2ccco2)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408766997	513093734	/nfs/dbraw/zinc/09/37/34/513093734.db2.gz	YGWCUXKWAQWXEH-WQLSENKSSA-N	-1	0	359.319	2.569	40	5		FFBBRM
CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000016688273	211166482	/nfs/dbraw/zinc/16/64/82/211166482.db2.gz	AIYLPINYDPPWSK-MDWZMJQESA-N	-1	0	369.333	2.796	40	5		FFBBRM
CCCSc1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000041017574	506491020	/nfs/dbraw/zinc/49/10/20/506491020.db2.gz	NSXFLSCCNIPEFY-UHFFFAOYSA-N	-1	0	360.442	2.749	40	5		FFBBRM
O=c1c2[n-][nH]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Cl)cc1	ZINC000109645140	507974940	/nfs/dbraw/zinc/97/49/40/507974940.db2.gz	FKTBPDNWYWKNEG-UONOGXRCSA-N	-1	0	371.740	2.746	40	5		FFBBRM
O=C([O-])CN1C(=O)S/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000018100993	220223851	/nfs/dbraw/zinc/22/38/51/220223851.db2.gz	QUKCQRWKTGLCEL-WFMPKDELSA-N	-1	0	368.754	2.838	40	5		FFBBRM
Cc1ccccc1OCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035298541	263397690	/nfs/dbraw/zinc/39/76/90/263397690.db2.gz	WZOWNDRRMNUBPF-UHFFFAOYSA-N	-1	0	361.379	2.501	40	5		FFBBRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000001592494	506267219	/nfs/dbraw/zinc/26/72/19/506267219.db2.gz	PWYMIZQPWVRZDL-OAHLLOKOSA-N	-1	0	353.334	2.502	40	5		FFBBRM
O=c1c2[n-][nH]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Cl)cc1	ZINC000005344458	506437703	/nfs/dbraw/zinc/43/77/03/506437703.db2.gz	FKTBPDNWYWKNEG-KGLIPLIRSA-N	-1	0	371.740	2.746	40	5		FFBBRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000006324151	506477646	/nfs/dbraw/zinc/47/76/46/506477646.db2.gz	KJEYOMXZHXXRFZ-UHFFFAOYSA-N	-1	0	363.395	2.535	40	5		FFBBRM
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000004241067	219557897	/nfs/dbraw/zinc/55/78/97/219557897.db2.gz	ZLAHSBNFIOYNRP-KRWDZBQOSA-N	-1	0	350.371	2.992	40	5		FFBBRM
Cc1cccc(CN2C(=O)N/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000409235561	513100603	/nfs/dbraw/zinc/10/06/03/513100603.db2.gz	CGIRMGMHVXFVPV-RIYZIHGNSA-N	-1	0	353.334	2.702	40	5		FFBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000005259995	506432341	/nfs/dbraw/zinc/43/23/41/506432341.db2.gz	LJDVWAGZMOIXKN-UHFFFAOYSA-N	-1	0	350.352	2.572	40	5		FFBBRM
CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000005511834	506446606	/nfs/dbraw/zinc/44/66/06/506446606.db2.gz	NNBWPRRYLORDHK-MRXNPFEDSA-N	-1	0	358.350	2.939	40	5		FFBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006079425	506466425	/nfs/dbraw/zinc/46/64/25/506466425.db2.gz	GHOYQLGCHHZKTI-UHFFFAOYSA-N	-1	0	359.363	2.728	40	5		FFBBRM
Cc1ccc(CN2C(=O)N/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408962363	513095691	/nfs/dbraw/zinc/09/56/91/513095691.db2.gz	HUBLWNJIMLUTDO-ZSOIEALJSA-N	-1	0	353.334	2.702	40	5		FFBBRM
O=C([O-])CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113875146	222500789	/nfs/dbraw/zinc/50/07/89/222500789.db2.gz	AEZJEQATENCSPT-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1	ZINC000145523437	508845523	/nfs/dbraw/zinc/84/55/23/508845523.db2.gz	SWBYJXQOHUBARJ-UHFFFAOYSA-N	-1	0	368.342	2.630	40	5		FFBBRM
CCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409235397	513100508	/nfs/dbraw/zinc/10/05/08/513100508.db2.gz	PCQUNYDCROAENS-BJMVGYQFSA-N	-1	0	353.312	2.655	40	5		FFBBRM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000059662117	221127034	/nfs/dbraw/zinc/12/70/34/221127034.db2.gz	HMSDEWTZFWFYJT-UHFFFAOYSA-N	-1	0	371.265	2.552	40	5		FFBBRM
Cc1ccc(C)c(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[n-]c(=O)nc2-3)c1	ZINC000000848938	219330997	/nfs/dbraw/zinc/33/09/97/219330997.db2.gz	BBRHEBPELPAWKD-UHFFFAOYSA-N	-1	0	362.345	2.704	40	5		FFBBRM
O=C([O-])c1ccccc1C(=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1	ZINC000020496224	220329337	/nfs/dbraw/zinc/32/93/37/220329337.db2.gz	DLTFJWLIFQLEEL-UHFFFAOYSA-N	-1	0	354.278	2.595	40	5		FFBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000005598815	506450117	/nfs/dbraw/zinc/45/01/17/506450117.db2.gz	FRDHLARWHRVWFR-UHFFFAOYSA-N	-1	0	351.340	2.921	40	5		FFBBRM
Cc1cc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000006613227	506491641	/nfs/dbraw/zinc/49/16/41/506491641.db2.gz	HZYWJAJJOMAFEB-UHFFFAOYSA-N	-1	0	359.363	2.728	40	5		FFBBRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000223829132	509348870	/nfs/dbraw/zinc/34/88/70/509348870.db2.gz	AJDXPWPMUQWEEF-UHFFFAOYSA-N	-1	0	370.770	2.836	40	5		FFBBRM
O=C1N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1	ZINC000408966304	513095479	/nfs/dbraw/zinc/09/54/79/513095479.db2.gz	ZLLPQOASKZMDQU-QPEQYQDCSA-N	-1	0	357.297	2.532	40	5		FFBBRM
O=C([O-])c1ccc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1	ZINC000013167978	220060780	/nfs/dbraw/zinc/06/07/80/220060780.db2.gz	AGTLJNCCSFLIDG-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
Cc1cccc(C)c1-n1c2ccc([N+](=O)[O-])cc2cc2c(=O)[n-]c(=O)nc1-2	ZINC000005612650	263342514	/nfs/dbraw/zinc/34/25/14/263342514.db2.gz	VSFZXMZMDMOHMW-UHFFFAOYSA-N	-1	0	362.345	2.704	40	5		FFBBRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000002773715	506292080	/nfs/dbraw/zinc/29/20/80/506292080.db2.gz	SQCAPBGRWXOXIL-UHFFFAOYSA-N	-1	0	350.352	2.572	40	5		FFBBRM
Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000005897389	506460786	/nfs/dbraw/zinc/46/07/86/506460786.db2.gz	XFTUUHXDFASQIW-UHFFFAOYSA-N	-1	0	359.363	2.728	40	5		FFBBRM
O=c1oc2c3ccccc3n(-c3ccccc3)c(=O)c2c([O-])c1[N+](=O)[O-]	ZINC000006864645	506512246	/nfs/dbraw/zinc/51/22/46/506512246.db2.gz	AMCYFVVSPLSKQL-UHFFFAOYSA-N	-1	0	350.286	2.711	40	5		FFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000016099640	507071924	/nfs/dbraw/zinc/07/19/24/507071924.db2.gz	MZWLLLBSIFOURW-UHFFFAOYSA-N	-1	0	367.339	2.621	40	5		FFBBRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1	ZINC000223430423	509340266	/nfs/dbraw/zinc/34/02/66/509340266.db2.gz	OQNAOLLSPXICPJ-UHFFFAOYSA-N	-1	0	368.342	2.630	40	5		FFBBRM
O=C1N/C(=C/c2cccc([N+](=O)[O-])c2[O-])C(=O)N1Cc1ccccc1F	ZINC000409108911	513098492	/nfs/dbraw/zinc/09/84/92/513098492.db2.gz	ZKDHMWDGUMHOKL-MDWZMJQESA-N	-1	0	357.297	2.532	40	5		FFBBRM
O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000409412327	513102625	/nfs/dbraw/zinc/10/26/25/513102625.db2.gz	JJEUJLGHPOQDEB-UHFFFAOYSA-N	-1	0	372.362	2.680	40	5		FFBBRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000071979750	221392926	/nfs/dbraw/zinc/39/29/26/221392926.db2.gz	ZCBKIKJUYMRNEX-CYBMUJFWSA-N	-1	0	368.773	2.834	40	5		FFBBRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C	ZINC000010112302	506729255	/nfs/dbraw/zinc/72/92/55/506729255.db2.gz	GPNZTFQYVOJIKA-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
COc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000072414277	507786311	/nfs/dbraw/zinc/78/63/11/507786311.db2.gz	GENVVTBZBOCJFS-UHFFFAOYSA-N	-1	0	359.363	2.952	40	5		FFBBRM
CN(Cc1ccccc1)c1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000256047734	509942716	/nfs/dbraw/zinc/94/27/16/509942716.db2.gz	OGMDADNTDJFVKA-UHFFFAOYSA-N	-1	0	353.338	2.510	40	5		FFBBRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1	ZINC000003207031	204082698	/nfs/dbraw/zinc/08/26/98/204082698.db2.gz	AWDZSSZVCUMPED-UHFFFAOYSA-N	-1	0	361.404	2.941	40	5		FFBBRM
Cc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cccc1[N+](=O)[O-]	ZINC000223256406	509333778	/nfs/dbraw/zinc/33/37/78/509333778.db2.gz	KCGSBQAFXIMPSN-UHFFFAOYSA-N	-1	0	364.379	2.721	40	5		FFBBRM
O=C([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000013340885	205094277	/nfs/dbraw/zinc/09/42/77/205094277.db2.gz	JGIIYTAKAGYGER-UHFFFAOYSA-N	-1	0	356.743	2.747	40	5		FFBBRM
O=c1c2[n-][nH]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Cl)cc1	ZINC000109645146	206060902	/nfs/dbraw/zinc/06/09/02/206060902.db2.gz	FKTBPDNWYWKNEG-ZIAGYGMSSA-N	-1	0	371.740	2.746	40	5		FFBBRM
COc1cccc(C[C@H](CC(=O)[O-])C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000004713300	206182549	/nfs/dbraw/zinc/18/25/49/206182549.db2.gz	FXRWMBSQYFXQPG-CYBMUJFWSA-N	-1	0	358.350	2.876	40	5		FFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000014398673	506988712	/nfs/dbraw/zinc/98/87/12/506988712.db2.gz	KXPJIZCDLPXBNW-UHFFFAOYSA-N	-1	0	367.339	2.621	40	5		FFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000014399281	506990187	/nfs/dbraw/zinc/99/01/87/506990187.db2.gz	ZWTZBVKEEHEZDK-UHFFFAOYSA-N	-1	0	351.340	2.921	40	5		FFBBRM
CCCSc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000225164418	509366027	/nfs/dbraw/zinc/36/60/27/509366027.db2.gz	JAPHVSDJWSYSBA-UHFFFAOYSA-N	-1	0	360.442	2.749	40	5		FFBBRM
O=C1CCCN1c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000005329476	204203753	/nfs/dbraw/zinc/20/37/53/204203753.db2.gz	WYXVAASPTSUTAD-UHFFFAOYSA-N	-1	0	361.379	2.522	40	5		FFBBRM
O=C([O-])c1ccc(OCC(=O)Nc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000013053760	206300289	/nfs/dbraw/zinc/30/02/89/206300289.db2.gz	BRLAVBBALFXFRO-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-]	ZINC000006362255	506479066	/nfs/dbraw/zinc/47/90/66/506479066.db2.gz	NCKCDXAKBNKJJZ-UHFFFAOYSA-N	-1	0	351.340	2.921	40	5		FFBBRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000013674155	506949621	/nfs/dbraw/zinc/94/96/21/506949621.db2.gz	OAIWSNLRMLBDHY-UHFFFAOYSA-N	-1	0	350.352	2.572	40	5		FFBBRM
O=C([O-])c1ccc(-n2nnnc2SCc2ccccc2[N+](=O)[O-])cc1	ZINC000059417670	507500612	/nfs/dbraw/zinc/50/06/12/507500612.db2.gz	QEKCVKNTGWWJLV-UHFFFAOYSA-N	-1	0	357.351	2.561	40	5		FFBBRM
O=C([O-])CN(c1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225019714	509363022	/nfs/dbraw/zinc/36/30/22/509363022.db2.gz	ZAFNBGMOIAQTOB-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
CN(Cc1ccccc1)c1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000256046285	509942681	/nfs/dbraw/zinc/94/26/81/509942681.db2.gz	DZFJUOUVMMENCX-UHFFFAOYSA-N	-1	0	353.338	2.510	40	5		FFBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Sc3ccccc3)o2)[nH]1	ZINC000006496079	506484783	/nfs/dbraw/zinc/48/47/83/506484783.db2.gz	JFOYMWIFBOMPNN-SOFGYWHQSA-N	-1	0	357.347	2.886	40	5		FFBBRM
COc1ccc(-n2c3nc4ccccc4cc3cc3c(=O)[n-]c(=O)nc2-3)cc1	ZINC000041074108	506490898	/nfs/dbraw/zinc/49/08/98/506490898.db2.gz	RKPSDZYSFWWZHA-UHFFFAOYSA-N	-1	0	370.368	2.736	40	5		FFBBRM
Cc1cccc(CN2C(=O)N/C(=C/c3cc([O-])ccc3[N+](=O)[O-])C2=O)c1	ZINC000409228985	513100845	/nfs/dbraw/zinc/10/08/45/513100845.db2.gz	IBUZCJDHNDTRLG-OQLLNIDSSA-N	-1	0	353.334	2.702	40	5		FFBBRM
COc1cccc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000004713299	206181952	/nfs/dbraw/zinc/18/19/52/206181952.db2.gz	FXRWMBSQYFXQPG-ZDUSSCGKSA-N	-1	0	358.350	2.876	40	5		FFBBRM
O=C1[N-]C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1	ZINC000039557108	506451754	/nfs/dbraw/zinc/45/17/54/506451754.db2.gz	NQPSWIKWJRPNPV-CXUHLZMHSA-N	-1	0	362.345	2.778	40	5		FFBBRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000071979749	507731715	/nfs/dbraw/zinc/73/17/15/507731715.db2.gz	ZCBKIKJUYMRNEX-ZDUSSCGKSA-N	-1	0	368.773	2.834	40	5		FFBBRM
O=C([O-])CNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1	ZINC000328978841	511960230	/nfs/dbraw/zinc/96/02/30/511960230.db2.gz	GCQZNGNTJRICNI-UHFFFAOYSA-N	-1	0	365.349	2.714	40	5		FFBBRM
O=c1nc(C(F)(F)F)cc(C=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])[nH]1	ZINC000408720329	513092698	/nfs/dbraw/zinc/09/26/98/513092698.db2.gz	LGAJLFZNTWEGAQ-OWOJBTEDSA-N	-1	0	372.215	2.893	40	5		FFBBRM
Cc1ccc(CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1	ZINC000409241655	513101013	/nfs/dbraw/zinc/10/10/13/513101013.db2.gz	LCUDORURTGOWRM-OQLLNIDSSA-N	-1	0	353.334	2.702	40	5		FFBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000226862441	209368178	/nfs/dbraw/zinc/36/81/78/209368178.db2.gz	WPTZYMGILHXPIO-UHFFFAOYSA-N	-1	0	356.331	2.552	40	5		FFBBRM
O=C([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000013340873	208289907	/nfs/dbraw/zinc/28/99/07/208289907.db2.gz	WSNAFHUIENNGQF-UHFFFAOYSA-N	-1	0	356.743	2.747	40	5		FFBBRM
O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000033729654	263397258	/nfs/dbraw/zinc/39/72/58/263397258.db2.gz	PIJVFMIXDBICRW-XYOKQWHBSA-N	-1	0	351.409	2.761	40	5		FFBBRM
Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000006613988	506492140	/nfs/dbraw/zinc/49/21/40/506492140.db2.gz	OFCGPPBAALJGNK-UHFFFAOYSA-N	-1	0	359.363	2.728	40	5		FFBBRM
O=C([O-])CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225020265	509362716	/nfs/dbraw/zinc/36/27/16/509362716.db2.gz	NPBFGUUPGJNJOG-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
Cn1c(SCC(=O)[O-])nnc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000228930564	509420967	/nfs/dbraw/zinc/42/09/67/509420967.db2.gz	FKMMNFGAPIOIQZ-UHFFFAOYSA-N	-1	0	360.351	2.827	40	5		FFBBRM
O=C([O-])c1cc(Cl)ccc1OCC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000001619276	206889440	/nfs/dbraw/zinc/88/94/40/206889440.db2.gz	YAXKPAKHUPIHIW-UHFFFAOYSA-N	-1	0	364.741	2.642	40	5		FFBBRM
O=c1nc2n(-c3ccc(F)cc3)c3nc4ccccc4cc3cc-2c(=O)[n-]1	ZINC000041074091	506491308	/nfs/dbraw/zinc/49/13/08/506491308.db2.gz	GSTSCVKTPBLJJM-UHFFFAOYSA-N	-1	0	358.332	2.866	40	5		FFBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1	ZINC000219006432	509284311	/nfs/dbraw/zinc/28/43/11/509284311.db2.gz	DGGRHYRCMDZLNU-UHFFFAOYSA-N	-1	0	362.392	2.914	40	5		FFBBRM
COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409079150	513098539	/nfs/dbraw/zinc/09/85/39/513098539.db2.gz	KSXRXWCMIQWYGD-GHXNOFRVSA-N	-1	0	361.354	2.534	40	5		FFBBRM
O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000005329209	207094778	/nfs/dbraw/zinc/09/47/78/207094778.db2.gz	YCIIEMIFRZXSSO-UHFFFAOYSA-N	-1	0	361.379	2.522	40	5		FFBBRM
COc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21	ZINC000005514424	207103497	/nfs/dbraw/zinc/10/34/97/207103497.db2.gz	DPFLUPOASONOTO-MAUKXSAKSA-N	-1	0	367.361	2.773	40	5		FFBBRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000003069543	506309481	/nfs/dbraw/zinc/30/94/81/506309481.db2.gz	WHGUJIROFVCZPG-UHFFFAOYSA-N	-1	0	350.352	2.572	40	5		FFBBRM
Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1	ZINC000004949870	506409649	/nfs/dbraw/zinc/40/96/49/506409649.db2.gz	RMZCJIZZJXYGCM-UHFFFAOYSA-N	-1	0	351.340	2.921	40	5		FFBBRM
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1	ZINC000016321046	507080846	/nfs/dbraw/zinc/08/08/46/507080846.db2.gz	XOXPUIDOIMUOGS-OAHLLOKOSA-N	-1	0	370.390	2.552	40	5		FFBBRM
O=C([O-])c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000020144864	507211968	/nfs/dbraw/zinc/21/19/68/507211968.db2.gz	BONFPDNRTDNCSA-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
O=C([O-])C1(c2ccccc2)CCN(CC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000408547423	513085747	/nfs/dbraw/zinc/08/57/47/513085747.db2.gz	WRPNZVUOLJLNHU-UHFFFAOYSA-N	-1	0	368.389	2.896	40	5		FFBBRM
CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408599189	513088693	/nfs/dbraw/zinc/08/86/93/513088693.db2.gz	FSIAGLRAEUUINT-UHFFFAOYSA-N	-1	0	360.322	2.529	40	5		FFBBRM
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cccnc12	ZINC000129611336	209371188	/nfs/dbraw/zinc/37/11/88/209371188.db2.gz	KBOLJIOZOYTMDC-UHFFFAOYSA-N	-1	0	359.363	2.952	40	5		FFBBRM
CC(C)(C)OC(=O)N1C[C@H](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000004241408	207008738	/nfs/dbraw/zinc/00/87/38/207008738.db2.gz	RMZVCAKGGRWHKJ-OCCSQVGLSA-N	-1	0	350.371	2.848	40	5		FFBBRM
O=c1/c(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])sc2nc3ccccc3n12	ZINC000408962967	513095530	/nfs/dbraw/zinc/09/55/30/513095530.db2.gz	WMKKKQHRUQAOFV-MLPAPPSSSA-N	-1	0	373.777	2.724	40	5		FFBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OC(F)F	ZINC000409363890	513101776	/nfs/dbraw/zinc/10/17/76/513101776.db2.gz	VPVCRYLHGWJXAE-GQCTYLIASA-N	-1	0	369.280	2.967	40	5		FFBBRM
CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862416	209368718	/nfs/dbraw/zinc/36/87/18/209368718.db2.gz	ZYELTGXCRCOMCB-UHFFFAOYSA-N	-1	0	368.342	2.647	40	5		FFBBRM
O=C([O-])CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225020008	209362777	/nfs/dbraw/zinc/36/27/77/209362777.db2.gz	HKAUCIRQWUKOQG-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000223372242	209191156	/nfs/dbraw/zinc/19/11/56/209191156.db2.gz	QPBSDOQJONIEOA-UHFFFAOYSA-N	-1	0	354.315	2.541	40	5		FFBBRM
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000004241062	207007238	/nfs/dbraw/zinc/00/72/38/207007238.db2.gz	QCJFCQDCHVZNDM-KRWDZBQOSA-N	-1	0	350.371	2.992	40	5		FFBBRM
O=c1nc2n(-c3ccc(N4CCCC4)cc3)c3ccccc3cc-2c(=O)[n-]1	ZINC000041076617	506490299	/nfs/dbraw/zinc/49/02/99/506490299.db2.gz	HKPDXHYXXNRRMN-UHFFFAOYSA-N	-1	0	358.401	2.779	40	5		FFBBRM
CC(C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409019083	513097806	/nfs/dbraw/zinc/09/78/06/513097806.db2.gz	XXNTVQHBXYQTTF-ONNFQVAWSA-N	-1	0	353.312	2.653	40	5		FFBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000010112374	506728701	/nfs/dbraw/zinc/72/87/01/506728701.db2.gz	OJMDRPBDRGBZCZ-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
O=C(c1ccccc1)c1ccc(Sc2nc([O-])cc(=O)[nH]2)c([N+](=O)[O-])c1	ZINC000016476989	507093209	/nfs/dbraw/zinc/09/32/09/507093209.db2.gz	BWSVPDMYVSUGMQ-UHFFFAOYSA-N	-1	0	369.358	2.766	40	5		FFBBRM
O=C([O-])CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	ZINC000409123550	513099559	/nfs/dbraw/zinc/09/95/59/513099559.db2.gz	HAUSLIWQHMXCBH-QPEQYQDCSA-N	-1	0	374.330	2.976	40	5		FFBBRM
O=c1c2[n-][nH]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Cl)cc1	ZINC000109645143	209310586	/nfs/dbraw/zinc/31/05/86/209310586.db2.gz	FKTBPDNWYWKNEG-KBPBESRZSA-N	-1	0	371.740	2.746	40	5		FFBBRM
O=C([O-])CSc1cc([N+](=O)[O-])cc(S(=O)(=O)Cc2ccccc2)c1	ZINC000004343603	207015049	/nfs/dbraw/zinc/01/50/49/207015049.db2.gz	DQGWGSMYTJFGLJ-UHFFFAOYSA-N	-1	0	367.404	2.745	40	5		FFBBRM
O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000059387052	263418459	/nfs/dbraw/zinc/41/84/59/263418459.db2.gz	SYVLWBOZPZYJMN-UHFFFAOYSA-N	-1	0	363.233	2.626	40	5		FFBBRM
Cc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000005897379	506461037	/nfs/dbraw/zinc/46/10/37/506461037.db2.gz	VTOXBJFRYQAWFX-UHFFFAOYSA-N	-1	0	359.363	2.728	40	5		FFBBRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1	ZINC000223429830	509339438	/nfs/dbraw/zinc/33/94/38/509339438.db2.gz	ROUZTPZPLWLHSC-UHFFFAOYSA-N	-1	0	368.342	2.630	40	5		FFBBRM
COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nnc(C)o2)C(=O)[O-])c1OC	ZINC000408632038	513090201	/nfs/dbraw/zinc/09/02/01/513090201.db2.gz	FIVROJOPRSNKEO-VZUCSPMQSA-N	-1	0	367.339	2.521	40	5		FFBBRM
CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000409042884	513097692	/nfs/dbraw/zinc/09/76/92/513097692.db2.gz	LFGSMIWTKIDQMO-UVTDQMKNSA-N	-1	0	355.375	2.905	40	5		FFBBRM
O=C([O-])c1ccc(OCC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])c1	ZINC000013053836	220056035	/nfs/dbraw/zinc/05/60/35/220056035.db2.gz	IHWWYXPXPSFQIS-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
O=C([O-])CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113874437	508283780	/nfs/dbraw/zinc/28/37/80/508283780.db2.gz	YTZTXRPWVMUFHH-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
O=C1N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F	ZINC000408963870	513095381	/nfs/dbraw/zinc/09/53/81/513095381.db2.gz	PTNKOWCJFZQZRW-QPEQYQDCSA-N	-1	0	357.297	2.532	40	5		FFBBRM
O=C([O-])[C@H]1CS[C@H](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)N1	ZINC000408994287	513096587	/nfs/dbraw/zinc/09/65/87/513096587.db2.gz	YZCJCLXTDPLWIM-QMTHXVAHSA-N	-1	0	363.420	2.929	40	5		FFBBRM
COc1cc2cc3c(=O)[n-]c(=O)nc-3n(-c3ccc(Cl)cc3)c2cc1O	ZINC000102471377	210091115	/nfs/dbraw/zinc/09/11/15/210091115.db2.gz	SXLCCUMJWGSSHG-UHFFFAOYSA-N	-1	0	369.764	2.546	40	5		FFBBRM
O=c1nc2n(-c3ccc([N+](=O)[O-])cc3)c3cc(Cl)ccc3cc-2c(=O)[n-]1	ZINC000041076620	210045311	/nfs/dbraw/zinc/04/53/11/210045311.db2.gz	DMTZBNYQMAYZSD-UHFFFAOYSA-N	-1	0	368.736	2.740	40	5		FFBBRM
O=C1[N-]C(=O)/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)N1	ZINC000408918656	513095513	/nfs/dbraw/zinc/09/55/13/513095513.db2.gz	NHLBCPYZPVPCCZ-CXUHLZMHSA-N	-1	0	362.345	2.778	40	5		FFBBRM
Cc1cc2nc3s/c(=C\c4cc([O-])ccc4[N+](=O)[O-])c(=O)n3c2cc1C	ZINC000409389610	263554514	/nfs/dbraw/zinc/55/45/14/263554514.db2.gz	CFFREYAKQDFTPV-PXNMLYILSA-N	-1	0	367.386	2.688	40	5		FFBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[n-]c2ccccc2c1=O	ZINC000005646912	506452611	/nfs/dbraw/zinc/45/26/11/506452611.db2.gz	VFBZSBVJUOWFJO-UHFFFAOYSA-N	-1	0	354.278	2.597	40	5		FFBBRM
O=C([O-])[C@H]1CC(=O)N(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1	ZINC000008732497	506664512	/nfs/dbraw/zinc/66/45/12/506664512.db2.gz	WOWQUPFNAPAYST-ZDUSSCGKSA-N	-1	0	356.334	2.611	40	5		FFBBRM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1	ZINC000008732496	506664610	/nfs/dbraw/zinc/66/46/10/506664610.db2.gz	WOWQUPFNAPAYST-CYBMUJFWSA-N	-1	0	356.334	2.611	40	5		FFBBRM
O=C([O-])CN(c1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113873298	508283795	/nfs/dbraw/zinc/28/37/95/508283795.db2.gz	DGKYQQFAZKHYMO-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
O=C([O-])c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000013053871	220055817	/nfs/dbraw/zinc/05/58/17/220055817.db2.gz	RISJBURYVIKPHE-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
Cc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	ZINC000004949868	506409945	/nfs/dbraw/zinc/40/99/45/506409945.db2.gz	FJBITXSGOCQUAL-UHFFFAOYSA-N	-1	0	351.340	2.921	40	5		FFBBRM
O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)Nc2cccc(Cl)c2)c1	ZINC000013187184	220061392	/nfs/dbraw/zinc/06/13/92/220061392.db2.gz	PKOYEEHIAKEMDR-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1O	ZINC000020142968	211270884	/nfs/dbraw/zinc/27/08/84/211270884.db2.gz	JKBVLHWVZJGGRY-UHFFFAOYSA-N	-1	0	371.349	2.851	40	5		FFBBRM
O=c1nc2oc3c(Br)cc(Br)cc3cc-2c(=O)[n-]1	ZINC000003173605	210452923	/nfs/dbraw/zinc/45/29/23/210452923.db2.gz	IIWBXCYAXIJYCI-UHFFFAOYSA-N	-1	0	371.972	2.506	40	5		FFBBRM
Cc1ccc(C(=O)N2[C@@H](C(=O)[O-])COC23CCC(C)CC3)cc1[N+](=O)[O-]	ZINC000071979893	221392977	/nfs/dbraw/zinc/39/29/77/221392977.db2.gz	QEQIEJOWJWQJDE-YSTGTXGZSA-N	-1	0	362.382	2.735	40	5		FFBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000005897369	506461343	/nfs/dbraw/zinc/46/13/43/506461343.db2.gz	JWZWRWJVJMPGAN-UHFFFAOYSA-N	-1	0	359.363	2.728	40	5		FFBBRM
CC(C)CSc1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000225131163	509366095	/nfs/dbraw/zinc/36/60/95/509366095.db2.gz	TWHZGPXSEXRGJZ-UHFFFAOYSA-N	-1	0	374.469	2.995	40	5		FFBBRM
O=c1[nH]c(C=Cc2ccc(F)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409351287	513101751	/nfs/dbraw/zinc/10/17/51/513101751.db2.gz	TVKKEEXRIFTELI-RQOWECAXSA-N	-1	0	356.107	2.868	40	5		FFBBRM
O=C([O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1	ZINC000020142959	211270943	/nfs/dbraw/zinc/27/09/43/211270943.db2.gz	ZALKWCATCLHYLX-UHFFFAOYSA-N	-1	0	369.377	2.823	40	5		FFBBRM
O=C([O-])CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113873029	508283686	/nfs/dbraw/zinc/28/36/86/508283686.db2.gz	BLQZIJXUBYWUBE-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
Cc1c(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC000223371902	210177398	/nfs/dbraw/zinc/17/73/98/210177398.db2.gz	RLDAVUMEBOAZJA-UHFFFAOYSA-N	-1	0	354.315	2.541	40	5		FFBBRM
Cc1ccc(C(=O)N2[C@H](C(=O)[O-])COC23CCC(C)CC3)cc1[N+](=O)[O-]	ZINC000071979892	221393357	/nfs/dbraw/zinc/39/33/57/221393357.db2.gz	QEQIEJOWJWQJDE-AAEPOTHZSA-N	-1	0	362.382	2.735	40	5		FFBBRM
CCOc1ccc(C(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000020142456	211269597	/nfs/dbraw/zinc/26/95/97/211269597.db2.gz	ZAONAXINAAQPJT-UHFFFAOYSA-N	-1	0	360.322	2.958	40	5		FFBBRM
O=c1nc2n(-c3cccc(Cl)c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000000848935	210280401	/nfs/dbraw/zinc/28/04/01/210280401.db2.gz	BRCGPVHRBGGGPW-UHFFFAOYSA-N	-1	0	368.736	2.740	40	5		FFBBRM
O=C([O-])c1c([N+](=O)[O-])c(Br)cc(Br)c1[N+](=O)[O-]	ZINC000002573851	506283383	/nfs/dbraw/zinc/28/33/83/506283383.db2.gz	IKKZZHCFXNBGAB-UHFFFAOYSA-N	-1	0	369.909	2.726	40	5		FFBBRM
Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000039753326	506454321	/nfs/dbraw/zinc/45/43/21/506454321.db2.gz	HTDNRIQCFPHWNW-UHFFFAOYSA-N	-1	0	360.351	2.754	40	5		FFBBRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000010112273	506729076	/nfs/dbraw/zinc/72/90/76/506729076.db2.gz	FTICJEYKDLKTHA-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
CN1C(=O)S/C(=C\c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000208160820	509238578	/nfs/dbraw/zinc/23/85/78/509238578.db2.gz	FZLRYKQOKVYSLP-YWEYNIOJSA-N	-1	0	359.157	2.729	40	5		FFBBRM
O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1O	ZINC000020142965	220316392	/nfs/dbraw/zinc/31/63/92/220316392.db2.gz	ZYRVYDNSGONPMW-UHFFFAOYSA-N	-1	0	371.349	2.851	40	5		FFBBRM
O=C([O-])c1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000020496193	220329541	/nfs/dbraw/zinc/32/95/41/220329541.db2.gz	KSAFVHPVNBBJLC-UHFFFAOYSA-N	-1	0	354.278	2.595	40	5		FFBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000226862884	509404470	/nfs/dbraw/zinc/40/44/70/509404470.db2.gz	DTTZHZKOADTTRZ-UHFFFAOYSA-N	-1	0	368.342	2.711	40	5		FFBBRM
CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1	ZINC000004537111	506380634	/nfs/dbraw/zinc/38/06/34/506380634.db2.gz	YRAOBLHVQFVKEW-UHFFFAOYSA-N	-1	0	358.306	2.722	40	5		FFBBRM
COc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21	ZINC000005514427	506446681	/nfs/dbraw/zinc/44/66/81/506446681.db2.gz	DPFLUPOASONOTO-QAPCUYQASA-N	-1	0	367.361	2.773	40	5		FFBBRM
CCc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)ccc1OC	ZINC000223683056	509345004	/nfs/dbraw/zinc/34/50/04/509345004.db2.gz	VPZCSNITOYWMIX-UHFFFAOYSA-N	-1	0	366.395	2.975	40	5		FFBBRM
CCSc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1	ZINC000224309554	509355560	/nfs/dbraw/zinc/35/55/60/509355560.db2.gz	SIBCYVQNHPFQQG-UHFFFAOYSA-N	-1	0	360.442	2.668	40	5		FFBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000010112365	506729331	/nfs/dbraw/zinc/72/93/31/506729331.db2.gz	JWSAVZAZIGHMTA-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCc2ccccc2)[nH]1	ZINC000108770186	507917189	/nfs/dbraw/zinc/91/71/89/507917189.db2.gz	OYLFWFWQPODVJZ-KHPPLWFESA-N	-1	0	365.345	2.721	40	5		FFBBRM
O=C(CSCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)Nc1ccccc1	ZINC000167677913	509638708	/nfs/dbraw/zinc/63/87/08/509638708.db2.gz	RWNJBDDTCUYLFZ-UHFFFAOYSA-N	-1	0	361.379	2.611	40	5		FFBBRM
CCN(Cc1ccccc1)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-]	ZINC000256049418	509944368	/nfs/dbraw/zinc/94/43/68/509944368.db2.gz	ZUNGKJVDTSYDKK-UHFFFAOYSA-N	-1	0	367.365	2.900	40	5		FFBBRM
O=C([O-])c1ccccc1C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000020496153	220330058	/nfs/dbraw/zinc/33/00/58/220330058.db2.gz	IIFLIYQGKKJTGR-UHFFFAOYSA-N	-1	0	354.278	2.595	40	5		FFBBRM
COc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21	ZINC000005514429	506445437	/nfs/dbraw/zinc/44/54/37/506445437.db2.gz	DPFLUPOASONOTO-YJBOKZPZSA-N	-1	0	367.361	2.773	40	5		FFBBRM
Cc1ccc(S(=O)(=O)n2cc(C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-]	ZINC000205941926	570886992	/nfs/dbraw/zinc/88/69/92/570886992.db2.gz	ADVUBRDYNZQGGI-UHFFFAOYSA-N	-1	0	360.347	2.793	40	5		FFBBRM
COc1c(C)cccc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000014257536	220121175	/nfs/dbraw/zinc/12/11/75/220121175.db2.gz	JGSJRNKJAFXWLO-UHFFFAOYSA-N	-1	0	361.379	2.744	40	5		FFBBRM
O=C([O-])CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000020061349	220310997	/nfs/dbraw/zinc/31/09/97/220310997.db2.gz	HDXAOPJSWMLSKM-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM
CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000039795853	506454930	/nfs/dbraw/zinc/45/49/30/506454930.db2.gz	ZLAHSBNFIOYNRP-QGZVFWFLSA-N	-1	0	350.371	2.992	40	5		FFBBRM
CN1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000005879189	506459681	/nfs/dbraw/zinc/45/96/81/506459681.db2.gz	FZLRYKQOKVYSLP-XBXARRHUSA-N	-1	0	359.157	2.729	40	5		FFBBRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000006576297	506488722	/nfs/dbraw/zinc/48/87/22/506488722.db2.gz	PWYMIZQPWVRZDL-HNNXBMFYSA-N	-1	0	353.334	2.502	40	5		FFBBRM
COc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3C(=O)[O-])CC2)c1	ZINC000408712618	513092046	/nfs/dbraw/zinc/09/20/46/513092046.db2.gz	BZWXMJZBAWNHAS-UHFFFAOYSA-N	-1	0	357.366	2.628	40	5		FFBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccn2-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000409323909	513100825	/nfs/dbraw/zinc/10/08/25/513100825.db2.gz	QANAAPJBDUCJHK-VOTSOKGWSA-N	-1	0	369.293	2.665	40	5		FFBBRM
CC(C)CSc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000225110877	571294104	/nfs/dbraw/zinc/29/41/04/571294104.db2.gz	FPBJJTBDPQXDDL-UHFFFAOYSA-N	-1	0	374.469	2.995	40	5		FFBBRM
CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000013668895	220081815	/nfs/dbraw/zinc/08/18/15/220081815.db2.gz	RAQAKXLRHWIGQW-UHFFFAOYSA-N	-1	0	364.379	2.881	40	5		FFBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000006615208	506492759	/nfs/dbraw/zinc/49/27/59/506492759.db2.gz	BCULHIGONHEPNX-RUDMXATFSA-N	-1	0	371.374	2.819	40	5		FFBBRM
CC(C)Sc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000223318367	509336053	/nfs/dbraw/zinc/33/60/53/509336053.db2.gz	FLAHZAZBIDVXTE-UHFFFAOYSA-N	-1	0	360.442	2.748	40	5		FFBBRM
Cc1cccc(CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])ccc3[O-])C2=O)c1	ZINC000409233599	513101296	/nfs/dbraw/zinc/10/12/96/513101296.db2.gz	LHWKFDARLBKYMO-OQLLNIDSSA-N	-1	0	353.334	2.702	40	5		FFBBRM
CC(=O)[N-]S(=O)(=O)c1ccc(NSc2ccc([N+](=O)[O-])cc2)cc1	ZINC000005613299	263342240	/nfs/dbraw/zinc/34/22/40/263342240.db2.gz	DFXIVHFXPBJAMO-UHFFFAOYSA-N	-1	0	367.408	2.539	40	5		FFBBRM
O=C([O-])c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1Cl	ZINC000020144828	263378193	/nfs/dbraw/zinc/37/81/93/263378193.db2.gz	UKFZOHXKBGWTQI-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000216436997	509262263	/nfs/dbraw/zinc/26/22/63/509262263.db2.gz	OABITCBYRSRHBP-UHFFFAOYSA-N	-1	0	364.379	2.713	40	5		FFBBRM
CN(Cc1ccccc1)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-]	ZINC000256047538	509942588	/nfs/dbraw/zinc/94/25/88/509942588.db2.gz	NAKADMHZSOABMU-UHFFFAOYSA-N	-1	0	353.338	2.510	40	5		FFBBRM
O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(Cl)cc2)c1	ZINC000013187482	220060928	/nfs/dbraw/zinc/06/09/28/220060928.db2.gz	IHEZDMVSGHPGQN-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
O=C([O-])c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl	ZINC000020144834	220316003	/nfs/dbraw/zinc/31/60/03/220316003.db2.gz	BIWXPTFXPLZSTI-UHFFFAOYSA-N	-1	0	350.714	2.964	40	5		FFBBRM
COc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c([N+](=O)[O-])c1	ZINC000005392679	263340925	/nfs/dbraw/zinc/34/09/25/263340925.db2.gz	OBWAENDLKMAQIH-UHFFFAOYSA-N	-1	0	359.363	2.952	40	5		FFBBRM
COc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21	ZINC000005514423	506445745	/nfs/dbraw/zinc/44/57/45/506445745.db2.gz	DPFLUPOASONOTO-CRAIPNDOSA-N	-1	0	367.361	2.773	40	5		FFBBRM
CN(c1ccccc1)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000107846237	507870226	/nfs/dbraw/zinc/87/02/26/507870226.db2.gz	BHGDYUNIYASMCY-FMIVXFBMSA-N	-1	0	364.361	2.910	40	5		FFBBRM
O=C([O-])CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113875309	508283689	/nfs/dbraw/zinc/28/36/89/508283689.db2.gz	KGNGFVSHKUXNPV-UHFFFAOYSA-N	-1	0	370.770	2.528	40	5		FFBBRM