smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NN=c1nc[n-]c(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-]	ZINC000040648725	183114437	/nfs/dbraw/zinc/11/44/37/183114437.db2.gz	LKAVYRDAZAIVQT-UHFFFAOYSA-N	-1	3	314.227	2.433	10	5		DEBEHM
CCCNc1sc(S(=O)(=O)[N-]CC(C)C)cc1[N+](=O)[O-]	ZINC000125367132	195741412	/nfs/dbraw/zinc/74/14/12/195741412.db2.gz	ZSWXQKGSCDWLTF-UHFFFAOYSA-N	-1	3	321.424	2.413	10	5		DEBEHM
CCC[C@H](C)[N-]S(=O)(=O)c1cccc(NCC)c1[N+](=O)[O-]	ZINC000126862531	195847122	/nfs/dbraw/zinc/84/71/22/195847122.db2.gz	NRDAPOLCKLRITQ-JTQLQIEISA-N	-1	3	315.395	2.494	10	5		DEBEHM
CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131239280	196151934	/nfs/dbraw/zinc/15/19/34/196151934.db2.gz	ZXJRQPSGEAFBEI-VIFPVBQESA-N	-1	3	304.343	2.304	10	5		DEBEHM
CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000184700554	278974165	/nfs/dbraw/zinc/97/41/65/278974165.db2.gz	NPHCRFCNNILZIV-NSHDSACASA-N	-1	3	309.366	2.007	10	5		DEBEHM
O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@]2(O)CCCC[C@H]2C1	ZINC000408008670	280368889	/nfs/dbraw/zinc/36/88/89/280368889.db2.gz	FWBMDBCPNXKQRI-XJKSGUPXSA-N	-1	3	306.362	2.427	10	5		DEBEHM
C[C@H](N)c1nc(C(=O)[N-]c2cc(F)ccc2[N+](=O)[O-])cs1	ZINC000149106343	186048078	/nfs/dbraw/zinc/04/80/78/186048078.db2.gz	FYMNBLPTRBOWFA-LURJTMIESA-N	-1	3	310.310	2.462	10	5		DEBEHM
CCCn1nccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000102380844	402166328	/nfs/dbraw/zinc/16/63/28/402166328.db2.gz	DHPPDGXQSXHQOG-UHFFFAOYSA-N	-1	3	314.305	2.330	10	5		DEBEHM
COc1nnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[n-]1	ZINC000182988588	402731361	/nfs/dbraw/zinc/73/13/61/402731361.db2.gz	LJWQQDCWHSVPKF-UHFFFAOYSA-N	-1	3	319.302	2.189	10	5		DEBEHM
COc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[n-]1	ZINC000182988588	402731364	/nfs/dbraw/zinc/73/13/64/402731364.db2.gz	LJWQQDCWHSVPKF-UHFFFAOYSA-N	-1	3	319.302	2.189	10	5		DEBEHM
COc1n[n-]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1	ZINC000182988588	402731365	/nfs/dbraw/zinc/73/13/65/402731365.db2.gz	LJWQQDCWHSVPKF-UHFFFAOYSA-N	-1	3	319.302	2.189	10	5		DEBEHM
CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131164014	196145452	/nfs/dbraw/zinc/14/54/52/196145452.db2.gz	JESJFSLIPWSUEJ-VIFPVBQESA-N	-1	3	304.343	2.447	10	5		DEBEHM
C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000132011199	196218716	/nfs/dbraw/zinc/21/87/16/196218716.db2.gz	CEHWFVBSJLZPPV-BDAKNGLRSA-N	-1	3	302.327	2.201	10	5		DEBEHM
CSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000083407481	185222113	/nfs/dbraw/zinc/22/21/13/185222113.db2.gz	XZRKIRFLXILFIS-UHFFFAOYSA-N	-1	3	324.811	2.280	10	5		DEBEHM
NN=c1nc[n-]c(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040656793	183114794	/nfs/dbraw/zinc/11/47/94/183114794.db2.gz	ATWFELCWQYPKJE-UHFFFAOYSA-N	-1	3	314.227	2.433	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC(C)C	ZINC000157498432	197191614	/nfs/dbraw/zinc/19/16/14/197191614.db2.gz	RGMGQBRPYNBJQZ-JTQLQIEISA-N	-1	3	316.379	2.316	10	5		DEBEHM
O=C([O-])[C@@]12CCC[C@H]1CN(Cc1c(F)cccc1[N+](=O)[O-])C2	ZINC000262180543	145268099	/nfs/dbraw/zinc/26/80/99/145268099.db2.gz	QAEYWXFGHOGZOZ-ZUZCIYMTSA-N	-1	3	308.309	2.421	10	5		DEBEHM
Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)o1	ZINC000131214911	196150265	/nfs/dbraw/zinc/15/02/65/196150265.db2.gz	SLZAMVMLFUYVIH-UHFFFAOYSA-N	-1	3	314.294	2.114	10	5		DEBEHM
C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])C1	ZINC000050653696	183795117	/nfs/dbraw/zinc/79/51/17/183795117.db2.gz	PPNSOWWQCSGDAI-GXSJLCMTSA-N	-1	3	313.379	2.034	10	5		DEBEHM
CNc1sc(S(=O)(=O)[N-][C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000157556216	197195965	/nfs/dbraw/zinc/19/59/65/197195965.db2.gz	DTRDPIABFSCPSJ-SSDOTTSWSA-N	-1	3	307.397	2.021	10	5		DEBEHM
C[C@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000185411286	402351344	/nfs/dbraw/zinc/35/13/44/402351344.db2.gz	PTEXLVLYJXWHQY-GFCCVEGCSA-N	-1	3	321.377	2.295	10	5		DEBEHM
CCNc1cccc(C(=O)[N-]c2nc(C)ns2)c1[N+](=O)[O-]	ZINC000128729198	195987081	/nfs/dbraw/zinc/98/70/81/195987081.db2.gz	UGFJTOYWNHBHQV-UHFFFAOYSA-N	-1	3	307.335	2.439	10	5		DEBEHM
C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131221681	196151433	/nfs/dbraw/zinc/15/14/33/196151433.db2.gz	LDACBLWCMWKRQI-LDYMZIIASA-N	-1	3	302.327	2.201	10	5		DEBEHM
C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131230196	196152051	/nfs/dbraw/zinc/15/20/51/196152051.db2.gz	MJJCCIWJUWYEHF-MRVPVSSYSA-N	-1	3	302.327	2.201	10	5		DEBEHM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccoc2)c1	ZINC000132502893	196260553	/nfs/dbraw/zinc/26/05/53/196260553.db2.gz	XLIUNIBJGIFPFC-UHFFFAOYSA-N	-1	3	316.722	2.320	10	5		DEBEHM
Cc1c(F)cc(S(=O)(=O)[N-][C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000132613689	196270937	/nfs/dbraw/zinc/27/09/37/196270937.db2.gz	GLGJSFKDBVHMAM-SECBINFHSA-N	-1	3	304.343	2.365	10	5		DEBEHM
CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000582516689	337099989	/nfs/dbraw/zinc/09/99/89/337099989.db2.gz	LCJUAXZDRBYXNK-UHFFFAOYSA-N	-1	3	318.289	2.055	10	5		DEBEHM
CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000582516689	337099990	/nfs/dbraw/zinc/09/99/90/337099990.db2.gz	LCJUAXZDRBYXNK-UHFFFAOYSA-N	-1	3	318.289	2.055	10	5		DEBEHM
CNc1sc(S(=O)(=O)[N-][C@H](C)C2CCC2)cc1[N+](=O)[O-]	ZINC000138104609	186014546	/nfs/dbraw/zinc/01/45/46/186014546.db2.gz	ZDNAXEHGBCVTGF-SSDOTTSWSA-N	-1	3	319.408	2.165	10	5		DEBEHM
CNc1cccc(S(=O)(=O)[N-][C@H](C)C2CCC2)c1[N+](=O)[O-]	ZINC000138105343	186014384	/nfs/dbraw/zinc/01/43/84/186014384.db2.gz	QUEHPYBKAFCXAN-SECBINFHSA-N	-1	3	313.379	2.103	10	5		DEBEHM
O=C([N-]c1ccc([N+](=O)[O-])c(F)c1)c1nnc(Cl)s1	ZINC000148940840	186047448	/nfs/dbraw/zinc/04/74/48/186047448.db2.gz	JZDILTIATQNPQK-UHFFFAOYSA-N	-1	3	302.674	2.491	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C(C)(C)C	ZINC000112363505	401741377	/nfs/dbraw/zinc/74/13/77/401741377.db2.gz	AEVAHIWYDMGVOG-SECBINFHSA-N	-1	3	316.379	2.316	10	5		DEBEHM
CCC[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000195213148	402837052	/nfs/dbraw/zinc/83/70/52/402837052.db2.gz	SRPXPNRWUWMARH-SNVBAGLBSA-N	-1	3	316.379	2.460	10	5		DEBEHM
C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131221510	196151443	/nfs/dbraw/zinc/15/14/43/196151443.db2.gz	LDACBLWCMWKRQI-KWQFWETISA-N	-1	3	302.327	2.201	10	5		DEBEHM
CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131239484	196151916	/nfs/dbraw/zinc/15/19/16/196151916.db2.gz	ZXJRQPSGEAFBEI-SECBINFHSA-N	-1	3	304.343	2.304	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCC2)cc1F	ZINC000134163909	196366943	/nfs/dbraw/zinc/36/69/43/196366943.db2.gz	XYIGDHZHWYWNRP-UHFFFAOYSA-N	-1	3	302.327	2.202	10	5		DEBEHM
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C)CCC2)c1	ZINC000168364153	197721990	/nfs/dbraw/zinc/72/19/90/197721990.db2.gz	LHVSJFXNISEIAE-UHFFFAOYSA-N	-1	3	313.379	2.248	10	5		DEBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccsc1	ZINC000013725143	401804102	/nfs/dbraw/zinc/80/41/02/401804102.db2.gz	MREUEDVVLIYBLW-UHFFFAOYSA-N	-1	3	312.372	2.177	10	5		DEBEHM
CCOC(=O)c1[n-]nc2c1ccc(Br)c2[N+](=O)[O-]	ZINC000089197679	401938083	/nfs/dbraw/zinc/93/80/83/401938083.db2.gz	LYJFXKASNFGZCG-UHFFFAOYSA-N	-1	3	314.095	2.410	10	5		DEBEHM
CCOC(=O)c1n[n-]c2c1ccc(Br)c2[N+](=O)[O-]	ZINC000089197679	401938085	/nfs/dbraw/zinc/93/80/85/401938085.db2.gz	LYJFXKASNFGZCG-UHFFFAOYSA-N	-1	3	314.095	2.410	10	5		DEBEHM
Cc1sc(C(=O)[N-]c2nnc3n2CCCC3)cc1[N+](=O)[O-]	ZINC000162391016	402418733	/nfs/dbraw/zinc/41/87/33/402418733.db2.gz	DMHXPPOHMCFUQM-UHFFFAOYSA-N	-1	3	307.335	2.145	10	5		DEBEHM
Cc1c(F)cc(S(=O)(=O)[N-]C2CCCC2)cc1[N+](=O)[O-]	ZINC000132558648	196265596	/nfs/dbraw/zinc/26/55/96/196265596.db2.gz	OVWJILWESGAZDK-UHFFFAOYSA-N	-1	3	302.327	2.263	10	5		DEBEHM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc[nH]2)c1	ZINC000041571691	183205467	/nfs/dbraw/zinc/20/54/67/183205467.db2.gz	QSCLEXVKEVWTOO-UHFFFAOYSA-N	-1	3	315.738	2.055	10	5		DEBEHM
CCC(CC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000104751893	194034699	/nfs/dbraw/zinc/03/46/99/194034699.db2.gz	JDLLHAQHLSMWAO-UHFFFAOYSA-N	-1	3	316.379	2.318	10	5		DEBEHM
CC1CCC([N-]S(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])CC1	ZINC000050635358	183792646	/nfs/dbraw/zinc/79/26/46/183792646.db2.gz	QRGQREOSSDDIKX-UHFFFAOYSA-N	-1	3	313.379	2.034	10	5		DEBEHM
CCCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157577996	197198485	/nfs/dbraw/zinc/19/84/85/197198485.db2.gz	YAJWVASEQGRSTC-ZETCQYMHSA-N	-1	3	307.397	2.096	10	5		DEBEHM
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C2CCC2)c1	ZINC000157176667	197167823	/nfs/dbraw/zinc/16/78/23/197167823.db2.gz	UGWQEAANVRQHQB-VIFPVBQESA-N	-1	3	313.379	2.103	10	5		DEBEHM
CSCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000128857931	401795087	/nfs/dbraw/zinc/79/50/87/401795087.db2.gz	HQLJNQJJAYYEDF-UHFFFAOYSA-N	-1	3	304.393	2.016	10	5		DEBEHM
COc1ccc(S(=O)(=O)[N-]C[C@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000172666640	402669480	/nfs/dbraw/zinc/66/94/80/402669480.db2.gz	GXLBVHBSRPCNNC-JTQLQIEISA-N	-1	3	316.379	2.174	10	5		DEBEHM
CC(=O)c1cccc(Nc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])c1	ZINC000040593308	183106985	/nfs/dbraw/zinc/10/69/85/183106985.db2.gz	DAYQTGJEHSQIPE-UHFFFAOYSA-N	-1	3	316.321	2.220	10	5		DEBEHM
C[C@H](Nc1[n-]cnc(=NN)c1[N+](=O)[O-])c1ccccc1Cl	ZINC000159501568	197358609	/nfs/dbraw/zinc/35/86/09/197358609.db2.gz	LFQPMEVIKXBJQW-ZETCQYMHSA-N	-1	3	308.729	2.497	10	5		DEBEHM
CCC[C@H](CC)[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000050661194	183796422	/nfs/dbraw/zinc/79/64/22/183796422.db2.gz	APBKNKHJTMPJLU-JTQLQIEISA-N	-1	3	301.368	2.034	10	5		DEBEHM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccco1	ZINC000131166199	196145976	/nfs/dbraw/zinc/14/59/76/196145976.db2.gz	QQQWLSGCXMMLOR-MRVPVSSYSA-N	-1	3	314.294	2.366	10	5		DEBEHM
CCOC(=O)c1[n-]c(C)nc1NC(=O)c1csc([N+](=O)[O-])c1	ZINC000610109248	361359764	/nfs/dbraw/zinc/35/97/64/361359764.db2.gz	LPILRQVVWRAJDB-UHFFFAOYSA-N	-1	3	324.318	2.117	10	5		DEBEHM
CCOC(=O)c1nc(C)[n-]c1NC(=O)c1csc([N+](=O)[O-])c1	ZINC000610109248	361359769	/nfs/dbraw/zinc/35/97/69/361359769.db2.gz	LPILRQVVWRAJDB-UHFFFAOYSA-N	-1	3	324.318	2.117	10	5		DEBEHM
CNc1sc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000125578834	195764397	/nfs/dbraw/zinc/76/43/97/195764397.db2.gz	KWBFZONMBCHLKG-YUMQZZPRSA-N	-1	3	319.408	2.165	10	5		DEBEHM
Cc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066327404	402130951	/nfs/dbraw/zinc/13/09/51/402130951.db2.gz	MBPILWSSFQYHKA-UHFFFAOYSA-N	-1	3	312.372	2.443	10	5		DEBEHM
C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131221875	196151531	/nfs/dbraw/zinc/15/15/31/196151531.db2.gz	LDACBLWCMWKRQI-GZMMTYOYSA-N	-1	3	302.327	2.201	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C1	ZINC000132076173	196224035	/nfs/dbraw/zinc/22/40/35/196224035.db2.gz	KKBWVLSFSODCOL-VHSXEESVSA-N	-1	3	314.363	2.070	10	5		DEBEHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(F)c(F)c2)n1	ZINC000191632078	225114594	/nfs/dbraw/zinc/11/45/94/225114594.db2.gz	QTKBHMWDGXVXCA-UHFFFAOYSA-N	-1	3	314.223	2.481	10	5		DEBEHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc[nH]c3c2)c1	ZINC000074820036	191366934	/nfs/dbraw/zinc/36/69/34/191366934.db2.gz	YLDSHDYEMRXKES-UHFFFAOYSA-N	-1	3	318.314	2.272	10	5		DEBEHM
Cc1sc(C(=O)[N-]c2nnc(C)n2C2CC2)cc1[N+](=O)[O-]	ZINC000285049369	218270589	/nfs/dbraw/zinc/27/05/89/218270589.db2.gz	CBTABRVGAMZCBM-UHFFFAOYSA-N	-1	3	307.335	2.452	10	5		DEBEHM
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000050640943	183793448	/nfs/dbraw/zinc/79/34/48/183793448.db2.gz	MDNHVPVAWUKIND-UHFFFAOYSA-N	-1	3	311.294	2.117	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCCCC2)cc1F	ZINC000129848963	196080332	/nfs/dbraw/zinc/08/03/32/196080332.db2.gz	ZFBKCMPJWPXNDP-UHFFFAOYSA-N	-1	3	302.327	2.345	10	5		DEBEHM
COc1cccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c1[O-]	ZINC000194950123	424879967	/nfs/dbraw/zinc/87/99/67/424879967.db2.gz	NFATVFUOXYOBED-UHFFFAOYSA-N	-1	3	302.286	2.239	10	5		DEBEHM
CC(C)CCCC[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000147859699	186041791	/nfs/dbraw/zinc/04/17/91/186041791.db2.gz	XXPWLRGNZJXLHV-UHFFFAOYSA-N	-1	3	315.395	2.282	10	5		DEBEHM
O=C(Nc1ccc2nccn2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000609619419	361328172	/nfs/dbraw/zinc/32/81/72/361328172.db2.gz	NJUQKZWLPWSORE-UHFFFAOYSA-N	-1	3	322.284	2.371	10	5		DEBEHM
NN=c1nc[n-]c(N[C@H]2CCCc3sccc32)c1[N+](=O)[O-]	ZINC000160067950	197383820	/nfs/dbraw/zinc/38/38/20/197383820.db2.gz	OQEUAYWIKHWNFP-QMMMGPOBSA-N	-1	3	306.351	2.221	10	5		DEBEHM
NN=c1nc[n-]c(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000040588803	183105784	/nfs/dbraw/zinc/10/57/84/183105784.db2.gz	VKKJTHHOCVLULI-UHFFFAOYSA-N	-1	3	314.227	2.433	10	5		DEBEHM
CCC[C@H](C)[N-]S(=O)(=O)c1cc(NCC)ccc1[N+](=O)[O-]	ZINC000050632783	183791809	/nfs/dbraw/zinc/79/18/09/183791809.db2.gz	RNUJUVQPYLSFGO-JTQLQIEISA-N	-1	3	315.395	2.494	10	5		DEBEHM
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(C)C)c1	ZINC000050650792	183794022	/nfs/dbraw/zinc/79/40/22/183794022.db2.gz	RTUDRVOFZJLREA-SNVBAGLBSA-N	-1	3	315.395	2.349	10	5		DEBEHM
Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000064245165	184293041	/nfs/dbraw/zinc/29/30/41/184293041.db2.gz	FDYIYQCERAQDHY-UHFFFAOYSA-N	-1	3	312.372	2.443	10	5		DEBEHM
CCC[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157568286	197196950	/nfs/dbraw/zinc/19/69/50/197196950.db2.gz	BHLKGTPPZLFNEF-SSDOTTSWSA-N	-1	3	307.397	2.096	10	5		DEBEHM
COc1cc2n[n-]c(I)c2c([N+](=O)[O-])c1	ZINC000042689509	401934039	/nfs/dbraw/zinc/93/40/39/401934039.db2.gz	MVRUMBZYNRQEIK-UHFFFAOYSA-N	-1	3	319.058	2.084	10	5		DEBEHM
COc1cc2[n-]nc(I)c2c([N+](=O)[O-])c1	ZINC000042689509	401934041	/nfs/dbraw/zinc/93/40/41/401934041.db2.gz	MVRUMBZYNRQEIK-UHFFFAOYSA-N	-1	3	319.058	2.084	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCCC2)cc1F	ZINC000129862144	196082112	/nfs/dbraw/zinc/08/21/12/196082112.db2.gz	ADHPDHCPEWDGQV-UHFFFAOYSA-N	-1	3	302.327	2.202	10	5		DEBEHM
Cc1ccn2c(c1)nnc2[N-]C(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000088254547	418492580	/nfs/dbraw/zinc/49/25/80/418492580.db2.gz	AXOBDFWZWSNZIS-UHFFFAOYSA-N	-1	3	315.264	2.337	10	5		DEBEHM
O=c1[nH]nc2c3cc([N+](=O)[O-])cc(Br)c3[n-]cc1-2	ZINC000072237345	191080808	/nfs/dbraw/zinc/08/08/08/191080808.db2.gz	GSOGXWIEHINAJG-UHFFFAOYSA-N	-1	3	309.079	2.487	10	5		DEBEHM
CC(C)CN(CC(C)C)c1[n-]cnc(=NN(C)C)c1[N+](=O)[O-]	ZINC000040613880	183108575	/nfs/dbraw/zinc/10/85/75/183108575.db2.gz	SRJOLIYZBCYIOO-UHFFFAOYSA-N	-1	3	310.402	2.392	10	5		DEBEHM
O=C([N-]OCC(F)(F)F)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000156158876	197090184	/nfs/dbraw/zinc/09/01/84/197090184.db2.gz	MIYPDKAGOSHUOE-UHFFFAOYSA-N	-1	3	300.139	2.097	10	5		DEBEHM
COc1ccc(S(=O)(=O)[N-][C@H](C)C(C)(C)C)c([N+](=O)[O-])c1	ZINC000112363644	401741872	/nfs/dbraw/zinc/74/18/72/401741872.db2.gz	LWAGTRAHDVAUHH-SECBINFHSA-N	-1	3	316.379	2.316	10	5		DEBEHM
C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000131753793	196196542	/nfs/dbraw/zinc/19/65/42/196196542.db2.gz	FZCYPACFXHJOTA-YUMQZZPRSA-N	-1	3	304.755	2.183	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(C)C	ZINC000157498278	197192153	/nfs/dbraw/zinc/19/21/53/197192153.db2.gz	RGMGQBRPYNBJQZ-SNVBAGLBSA-N	-1	3	316.379	2.316	10	5		DEBEHM
CCCC(C)(C)[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000133733433	196333229	/nfs/dbraw/zinc/33/32/29/196333229.db2.gz	FILLMRURBBMJKD-UHFFFAOYSA-N	-1	3	301.368	2.034	10	5		DEBEHM
CCCc1csc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])n1	ZINC000191695820	528678774	/nfs/dbraw/zinc/67/87/74/528678774.db2.gz	YBAMQGWHZAXWSD-UHFFFAOYSA-N	-1	3	309.351	2.473	10	5		DEBEHM
CCOc1ncnc([N-]c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000040648866	183114120	/nfs/dbraw/zinc/11/41/20/183114120.db2.gz	GTVSODULWNQRNG-UHFFFAOYSA-N	-1	3	305.250	2.435	10	5		DEBEHM
CCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157539159	197195410	/nfs/dbraw/zinc/19/54/10/197195410.db2.gz	MJADGKGBFMKYPX-ZETCQYMHSA-N	-1	3	307.397	2.165	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)cc1F	ZINC000131245961	196152852	/nfs/dbraw/zinc/15/28/52/196152852.db2.gz	PEYKBRPFJKOHDW-SECBINFHSA-N	-1	3	300.311	2.121	10	5		DEBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1COc2ccccc21	ZINC000058507207	304810490	/nfs/dbraw/zinc/81/04/90/304810490.db2.gz	ABANYPLXZBFDGM-NSHDSACASA-N	-1	3	320.326	2.007	10	5		DEBEHM
CCc1nc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])sc1C	ZINC000191540857	529744295	/nfs/dbraw/zinc/74/42/95/529744295.db2.gz	LHNGMIOKLTVSLB-UHFFFAOYSA-N	-1	3	309.351	2.391	10	5		DEBEHM
CC1(C[N-]S(=O)(=O)c2cccc(N)c2[N+](=O)[O-])CCCC1	ZINC000127005965	185911859	/nfs/dbraw/zinc/91/18/59/185911859.db2.gz	TWMCFYIRSZWFGQ-UHFFFAOYSA-N	-1	3	313.379	2.036	10	5		DEBEHM
O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc([O-])c1	ZINC000444637970	238215523	/nfs/dbraw/zinc/21/55/23/238215523.db2.gz	SXDYPVYVMJVITC-UHFFFAOYSA-N	-1	3	312.285	2.107	10	5		DEBEHM
O=C([N-]c1ncc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])ccc1F	ZINC000040690645	183118392	/nfs/dbraw/zinc/11/83/92/183118392.db2.gz	CNXQDOBKSXDLBS-UHFFFAOYSA-N	-1	3	312.238	2.351	10	5		DEBEHM
C/C=C/CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000114743944	194688982	/nfs/dbraw/zinc/68/89/82/194688982.db2.gz	JVYKNWZICPGRIU-NSCUHMNNSA-N	-1	3	304.755	2.493	10	5		DEBEHM
CNc1sc(S(=O)(=O)[N-][C@@H](C)CC2CC2)cc1[N+](=O)[O-]	ZINC000125605254	195768165	/nfs/dbraw/zinc/76/81/65/195768165.db2.gz	JIWXPXFODSLNDZ-ZETCQYMHSA-N	-1	3	319.408	2.165	10	5		DEBEHM
CC(=O)c1cnc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1	ZINC000269473064	403142025	/nfs/dbraw/zinc/14/20/25/403142025.db2.gz	UVRFZIJRNCHZPR-UHFFFAOYSA-N	-1	3	323.334	2.353	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C1	ZINC000132075970	196223625	/nfs/dbraw/zinc/22/36/25/196223625.db2.gz	KKBWVLSFSODCOL-NXEZZACHSA-N	-1	3	314.363	2.070	10	5		DEBEHM
O=C([N-]c1nc(C(F)(F)F)cs1)c1c[nH]nc1[N+](=O)[O-]	ZINC000577868846	341945248	/nfs/dbraw/zinc/94/52/48/341945248.db2.gz	GXRNHQRXNBMGSJ-UHFFFAOYSA-N	-1	3	307.213	2.046	10	5		DEBEHM
CNc1cccc(S(=O)(=O)[N-][C@@H](C)C2CCC2)c1[N+](=O)[O-]	ZINC000138105259	186014435	/nfs/dbraw/zinc/01/44/35/186014435.db2.gz	QUEHPYBKAFCXAN-VIFPVBQESA-N	-1	3	313.379	2.103	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccccc1	ZINC000030493498	354124846	/nfs/dbraw/zinc/12/48/46/354124846.db2.gz	GQDGEXSUEZXLKN-UHFFFAOYSA-N	-1	3	322.342	2.082	10	5		DEBEHM
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC[C@H]1CCOC1	ZINC000187973196	200185423	/nfs/dbraw/zinc/18/54/23/200185423.db2.gz	CJOJXRJICLZENY-ZWXCPPHNSA-N	-1	3	306.318	2.082	10	5		DEBEHM
NN=c1nc[n-]c(NCc2ccc(F)c(Cl)c2)c1[N+](=O)[O-]	ZINC000160038220	197381452	/nfs/dbraw/zinc/38/14/52/197381452.db2.gz	IRTFTQDIABHHQX-UHFFFAOYSA-N	-1	3	312.692	2.075	10	5		DEBEHM
O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1-n1ccnc1	ZINC000040627876	183110941	/nfs/dbraw/zinc/11/09/41/183110941.db2.gz	DDDYWLSJUKZUSJ-UHFFFAOYSA-N	-1	3	300.253	2.453	10	5		DEBEHM
CCC[C@H](CC)[N-]S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000050661381	183796372	/nfs/dbraw/zinc/79/63/72/183796372.db2.gz	MRPPZDUQPJBXHB-QMMMGPOBSA-N	-1	3	319.358	2.173	10	5		DEBEHM
Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)cc1[N+](=O)[O-]	ZINC000184779154	402299393	/nfs/dbraw/zinc/29/93/93/402299393.db2.gz	QHGUZZDAMJQSAT-SNVBAGLBSA-N	-1	3	314.338	2.429	10	5		DEBEHM
CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131199897	196149071	/nfs/dbraw/zinc/14/90/71/196149071.db2.gz	ZPNSXAPYSIYFPF-BDAKNGLRSA-N	-1	3	304.343	2.447	10	5		DEBEHM
CCc1noc(C)c1[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000182678779	402708207	/nfs/dbraw/zinc/70/82/07/402708207.db2.gz	RCKPPFAGXJGEDC-UHFFFAOYSA-N	-1	3	319.273	2.435	10	5		DEBEHM
CCC[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000195213158	402837121	/nfs/dbraw/zinc/83/71/21/402837121.db2.gz	SRPXPNRWUWMARH-JTQLQIEISA-N	-1	3	316.379	2.460	10	5		DEBEHM
CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000525150767	406469859	/nfs/dbraw/zinc/46/98/59/406469859.db2.gz	ONFOELSGWVIQIC-UHFFFAOYSA-N	-1	3	324.318	2.117	10	5		DEBEHM
CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000525150767	406469863	/nfs/dbraw/zinc/46/98/63/406469863.db2.gz	ONFOELSGWVIQIC-UHFFFAOYSA-N	-1	3	324.318	2.117	10	5		DEBEHM
CC(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131189194	196148488	/nfs/dbraw/zinc/14/84/88/196148488.db2.gz	UHWUYFQLWSOLCO-UHFFFAOYSA-N	-1	3	304.343	2.448	10	5		DEBEHM
CSC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131229771	196151930	/nfs/dbraw/zinc/15/19/30/196151930.db2.gz	BTCNASJVYBEMTL-MRVPVSSYSA-N	-1	3	322.383	2.011	10	5		DEBEHM
CCNc1sc(S(=O)(=O)[N-]C2CC(C)C2)cc1[N+](=O)[O-]	ZINC000163900981	186141366	/nfs/dbraw/zinc/14/13/66/186141366.db2.gz	MXDQOZOQARELRD-UHFFFAOYSA-N	-1	3	319.408	2.165	10	5		DEBEHM
CNc1cccc(S(=O)(=O)[N-]CCC2CCC2)c1[N+](=O)[O-]	ZINC000157232811	197171541	/nfs/dbraw/zinc/17/15/41/197171541.db2.gz	YAQURUDPCDYMSY-UHFFFAOYSA-N	-1	3	313.379	2.105	10	5		DEBEHM
CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]OCC(F)(F)F	ZINC000156158245	197091051	/nfs/dbraw/zinc/09/10/51/197091051.db2.gz	NLPBXFYAMROZME-UHFFFAOYSA-N	-1	3	308.212	2.217	10	5		DEBEHM
Cc1nc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2o1	ZINC000186825964	402466075	/nfs/dbraw/zinc/46/60/75/402466075.db2.gz	UVGKEYXEMZXMCV-UHFFFAOYSA-N	-1	3	314.257	2.397	10	5		DEBEHM
O=c1c(I)c[n-]c2ccc([N+](=O)[O-])cc12	ZINC000575434408	406810390	/nfs/dbraw/zinc/81/03/90/406810390.db2.gz	VUOIUGCOSXCYLX-UHFFFAOYSA-N	-1	3	316.054	2.041	10	5		DEBEHM
O=[N+]([O-])c1cnc([N-]c2cnn(-c3ncccn3)c2)c(Cl)c1	ZINC000078019843	355240784	/nfs/dbraw/zinc/24/07/84/355240784.db2.gz	OOHQEJDDVUPAPA-UHFFFAOYSA-N	-1	3	317.696	2.363	10	5		DEBEHM
C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000610518465	361415149	/nfs/dbraw/zinc/41/51/49/361415149.db2.gz	QSTDVXCOTNWNLZ-NSHDSACASA-N	-1	3	321.358	2.072	10	5		DEBEHM
O=C(Nc1cccc2c1OCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000373080505	284358460	/nfs/dbraw/zinc/35/84/60/284358460.db2.gz	NYMJRSQOJVRWSB-UHFFFAOYSA-N	-1	3	315.285	2.273	10	5		DEBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C(C)(C)C	ZINC000112363386	194465525	/nfs/dbraw/zinc/46/55/25/194465525.db2.gz	GNLPKDJYAJCMHL-SECBINFHSA-N	-1	3	316.379	2.316	10	5		DEBEHM
Cc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1S(C)(=O)=O	ZINC000089202224	401938908	/nfs/dbraw/zinc/93/89/08/401938908.db2.gz	XTADKILBTZXJEJ-UHFFFAOYSA-N	-1	3	324.314	2.152	10	5		DEBEHM
CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1[O-]	ZINC000556892059	405558132	/nfs/dbraw/zinc/55/81/32/405558132.db2.gz	HNJIWJBBSUWNCT-UHFFFAOYSA-N	-1	3	315.285	2.459	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2CC2)cc1F	ZINC000162816130	197593827	/nfs/dbraw/zinc/59/38/27/197593827.db2.gz	QCJOSXPOXCBMAL-UHFFFAOYSA-N	-1	3	302.327	2.202	10	5		DEBEHM
CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000057102663	184026753	/nfs/dbraw/zinc/02/67/53/184026753.db2.gz	RIUGEFHKXGEVRA-VHSXEESVSA-N	-1	3	316.379	2.316	10	5		DEBEHM
C/C=C/CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000161837072	197523389	/nfs/dbraw/zinc/52/33/89/197523389.db2.gz	JJPKLGWDSLUSHH-NSCUHMNNSA-N	-1	3	304.755	2.493	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[C@H](C)C1	ZINC000132075838	196223799	/nfs/dbraw/zinc/22/37/99/196223799.db2.gz	KKBWVLSFSODCOL-UWVGGRQHSA-N	-1	3	314.363	2.070	10	5		DEBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)C(C)C	ZINC000172665708	325732659	/nfs/dbraw/zinc/73/26/59/325732659.db2.gz	RTCLWZNFANJTBU-SNVBAGLBSA-N	-1	3	316.379	2.174	10	5		DEBEHM
COC(=O)c1c(O)ccc2oc3cc(C)cc(=O)c-3c([O-])c21	ZINC000015104854	560228238	/nfs/dbraw/zinc/22/82/38/560228238.db2.gz	TWQNCGDOHUNFFU-UHFFFAOYSA-N	-1	3	300.266	2.452	10	5	biogenic,in-vitro	DEBEHM
COC(=O)c1c(O)ccc2oc3cc(C)cc([O-])c3c(=O)c21	ZINC000015104854	560228239	/nfs/dbraw/zinc/22/82/39/560228239.db2.gz	TWQNCGDOHUNFFU-UHFFFAOYSA-N	-1	3	300.266	2.452	10	5	biogenic,in-vitro	DEBEHM
CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000088311765	185245289	/nfs/dbraw/zinc/24/52/89/185245289.db2.gz	SJZKBDKFHGNRJH-VHSXEESVSA-N	-1	3	315.395	2.280	10	5		DEBEHM
CC[C@@H](CC1CC1)[N-]S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127013628	185913078	/nfs/dbraw/zinc/91/30/78/185913078.db2.gz	RGMDDXXVFFBBOL-JTQLQIEISA-N	-1	3	313.379	2.034	10	5		DEBEHM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCc2[nH]ncc21	ZINC000182088596	199385722	/nfs/dbraw/zinc/38/57/22/199385722.db2.gz	HPMNQWSNQPSADX-SECBINFHSA-N	-1	3	302.290	2.082	10	5		DEBEHM
O=C(NCCNc1cc(F)ccc1[N+](=O)[O-])c1ccc([O-])cc1	ZINC000302789478	403725842	/nfs/dbraw/zinc/72/58/42/403725842.db2.gz	FASOBYAQYAAKJX-UHFFFAOYSA-N	-1	3	319.292	2.281	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)cc1F	ZINC000131245726	196152923	/nfs/dbraw/zinc/15/29/23/196152923.db2.gz	PEYKBRPFJKOHDW-VIFPVBQESA-N	-1	3	300.311	2.121	10	5		DEBEHM
C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000132011810	196219296	/nfs/dbraw/zinc/21/92/96/196219296.db2.gz	CEHWFVBSJLZPPV-DTWKUNHWSA-N	-1	3	302.327	2.201	10	5		DEBEHM
O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)[n-]2)nc1	ZINC000302160354	230135598	/nfs/dbraw/zinc/13/55/98/230135598.db2.gz	OWRXCVUWFARWHP-UHFFFAOYSA-N	-1	3	306.332	2.383	10	5		DEBEHM
O=[N+]([O-])c1cnc(Sc2nc(-c3cccs3)n[n-]2)nc1	ZINC000302160354	230135602	/nfs/dbraw/zinc/13/56/02/230135602.db2.gz	OWRXCVUWFARWHP-UHFFFAOYSA-N	-1	3	306.332	2.383	10	5		DEBEHM
O=[N+]([O-])c1cnc(Sc2n[n-]c(-c3cccs3)n2)nc1	ZINC000302160354	230135604	/nfs/dbraw/zinc/13/56/04/230135604.db2.gz	OWRXCVUWFARWHP-UHFFFAOYSA-N	-1	3	306.332	2.383	10	5		DEBEHM
CC1CCC([N-]S(=O)(=O)c2cccc(N)c2[N+](=O)[O-])CC1	ZINC000097030576	185399123	/nfs/dbraw/zinc/39/91/23/185399123.db2.gz	DMIJBFPTPYJGOL-UHFFFAOYSA-N	-1	3	313.379	2.034	10	5		DEBEHM
Cc1ccc(CNc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040628780	183110534	/nfs/dbraw/zinc/11/05/34/183110534.db2.gz	DHYBGRCYQMHANT-UHFFFAOYSA-N	-1	3	302.338	2.194	10	5		DEBEHM
CNc1sc(S(=O)(=O)[N-][C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000157556365	197196325	/nfs/dbraw/zinc/19/63/25/197196325.db2.gz	DTRDPIABFSCPSJ-ZETCQYMHSA-N	-1	3	307.397	2.021	10	5		DEBEHM
CNc1nnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)s1	ZINC000157375008	197182734	/nfs/dbraw/zinc/18/27/34/197182734.db2.gz	KEOLEPSJHIDYGI-UHFFFAOYSA-N	-1	3	313.726	2.394	10	5		DEBEHM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C	ZINC000112363409	401741428	/nfs/dbraw/zinc/74/14/28/401741428.db2.gz	KTWCUZRNBKYZDI-MRVPVSSYSA-N	-1	3	304.343	2.447	10	5		DEBEHM
COc1ccc(S(=O)(=O)[N-]C[C@@H](C)C(C)C)c([N+](=O)[O-])c1	ZINC000172666642	402669772	/nfs/dbraw/zinc/66/97/72/402669772.db2.gz	GXLBVHBSRPCNNC-SNVBAGLBSA-N	-1	3	316.379	2.174	10	5		DEBEHM
COCc1nnc(Sc2ncc(Cl)cc2[N+](=O)[O-])[n-]1	ZINC000434958956	404946143	/nfs/dbraw/zinc/94/61/43/404946143.db2.gz	QWLNKDJJZUAIMP-UHFFFAOYSA-N	-1	3	301.715	2.059	10	5		DEBEHM
COCc1n[n-]c(Sc2ncc(Cl)cc2[N+](=O)[O-])n1	ZINC000434958956	404946150	/nfs/dbraw/zinc/94/61/50/404946150.db2.gz	QWLNKDJJZUAIMP-UHFFFAOYSA-N	-1	3	301.715	2.059	10	5		DEBEHM
COCc1nc(Sc2ncc(Cl)cc2[N+](=O)[O-])n[n-]1	ZINC000434958956	404946155	/nfs/dbraw/zinc/94/61/55/404946155.db2.gz	QWLNKDJJZUAIMP-UHFFFAOYSA-N	-1	3	301.715	2.059	10	5		DEBEHM
CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CCCC1	ZINC000131196886	196148230	/nfs/dbraw/zinc/14/82/30/196148230.db2.gz	AIXMMNYTKNMADA-UHFFFAOYSA-N	-1	3	302.327	2.345	10	5		DEBEHM
C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000131955525	196213200	/nfs/dbraw/zinc/21/32/00/196213200.db2.gz	SMFUMDZAIVKQAK-WCBMZHEXSA-N	-1	3	302.327	2.201	10	5		DEBEHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C)nc(C(C)C)n2)n1	ZINC000191577993	225113338	/nfs/dbraw/zinc/11/33/38/225113338.db2.gz	GDZVVDSUCJNUQO-UHFFFAOYSA-N	-1	3	318.337	2.285	10	5		DEBEHM
Cc1cc(C)nc([N-]C(=O)c2ccnc(Cl)c2[N+](=O)[O-])n1	ZINC000088801014	185265938	/nfs/dbraw/zinc/26/59/38/185265938.db2.gz	HXBMDSHNYBFQIS-UHFFFAOYSA-N	-1	3	307.697	2.302	10	5		DEBEHM
CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000094332287	193359112	/nfs/dbraw/zinc/35/91/12/193359112.db2.gz	FFDNRQSXWMAEJP-LBPRGKRZSA-N	-1	3	313.379	2.034	10	5		DEBEHM
CN(Cc1ccc(Cl)s1)c1[n-]cnc(=NN)c1[N+](=O)[O-]	ZINC000159355696	197347741	/nfs/dbraw/zinc/34/77/41/197347741.db2.gz	NFFLEXJMYAKGIP-UHFFFAOYSA-N	-1	3	314.758	2.022	10	5		DEBEHM
C[C@@H](CN1CCCCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000185421854	207366169	/nfs/dbraw/zinc/36/61/69/207366169.db2.gz	IZYCWSQNJKJKAB-LBPRGKRZSA-N	-1	3	321.377	2.295	10	5		DEBEHM
C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000131753159	196196467	/nfs/dbraw/zinc/19/64/67/196196467.db2.gz	FZCYPACFXHJOTA-HTQZYQBOSA-N	-1	3	304.755	2.183	10	5		DEBEHM
CSC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000134166038	196366542	/nfs/dbraw/zinc/36/65/42/196366542.db2.gz	KOLUKSVGUJVSFO-UHFFFAOYSA-N	-1	3	322.383	2.154	10	5		DEBEHM
CC(C)(C)NN=c1nc[n-]c(NCc2ccco2)c1[N+](=O)[O-]	ZINC000040645522	183113257	/nfs/dbraw/zinc/11/32/57/183113257.db2.gz	ZZDIGWHYZZHGFB-UHFFFAOYSA-N	-1	3	306.326	2.305	10	5		DEBEHM
CC1([N-]S(=O)(=O)c2cccc(N)c2[N+](=O)[O-])CCCCC1	ZINC000126958811	185907650	/nfs/dbraw/zinc/90/76/50/185907650.db2.gz	SBMLOMCLNVNZHV-UHFFFAOYSA-N	-1	3	313.379	2.178	10	5		DEBEHM
C[C@@H](Nc1[n-]cnc(=NN)c1[N+](=O)[O-])c1ccccc1Cl	ZINC000159501707	197359173	/nfs/dbraw/zinc/35/91/73/197359173.db2.gz	LFQPMEVIKXBJQW-SSDOTTSWSA-N	-1	3	308.729	2.497	10	5		DEBEHM
CCC(C)(CC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000113294381	401775513	/nfs/dbraw/zinc/77/55/13/401775513.db2.gz	OQOJDKMNTIUNCT-UHFFFAOYSA-N	-1	3	316.379	2.460	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCCCC1	ZINC000070271976	402259292	/nfs/dbraw/zinc/25/92/92/402259292.db2.gz	FCZSSRJZGRRLHC-UHFFFAOYSA-N	-1	3	314.363	2.214	10	5		DEBEHM
CSCCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000128817779	401792951	/nfs/dbraw/zinc/79/29/51/401792951.db2.gz	WICNTRYSSVEGLW-UHFFFAOYSA-N	-1	3	318.420	2.325	10	5		DEBEHM
C[C@H]1CN2CCCC[C@@H]2CN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000407990893	405085441	/nfs/dbraw/zinc/08/54/41/405085441.db2.gz	QXYXMMJPSMDHFX-GXTWGEPZSA-N	-1	3	305.378	2.359	10	5		DEBEHM
C[Si](C)(C)CCO[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000584626903	337376066	/nfs/dbraw/zinc/37/60/66/337376066.db2.gz	LNBUTJZEKDBTRX-UHFFFAOYSA-N	-1	3	318.427	2.143	10	5		DEBEHM
CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n[n-]1	ZINC000180936177	356067625	/nfs/dbraw/zinc/06/76/25/356067625.db2.gz	BPJBYFCXFAAOJD-UHFFFAOYSA-N	-1	3	318.289	2.055	10	5		DEBEHM
CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)[n-]n1	ZINC000180936177	356067627	/nfs/dbraw/zinc/06/76/27/356067627.db2.gz	BPJBYFCXFAAOJD-UHFFFAOYSA-N	-1	3	318.289	2.055	10	5		DEBEHM
COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000186191988	199926219	/nfs/dbraw/zinc/92/62/19/199926219.db2.gz	PDNAGLTVEUDYFG-QMMMGPOBSA-N	-1	3	320.342	2.065	10	5		DEBEHM
O=c1[nH]c2c(Cc3nnn[n-]3)c3ccccc3n2c2ccccc12	ZINC000000009171	401687367	/nfs/dbraw/zinc/68/73/67/401687367.db2.gz	MUCVVURUYXBTPX-UHFFFAOYSA-N	-1	3	316.324	2.038	10	5		DEBEHM
O=c1[nH]c2c(Cc3nn[n-]n3)c3ccccc3n2c2ccccc12	ZINC000000009171	401687368	/nfs/dbraw/zinc/68/73/68/401687368.db2.gz	MUCVVURUYXBTPX-UHFFFAOYSA-N	-1	3	316.324	2.038	10	5		DEBEHM
C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000131954920	196213185	/nfs/dbraw/zinc/21/31/85/196213185.db2.gz	SMFUMDZAIVKQAK-SCZZXKLOSA-N	-1	3	302.327	2.201	10	5		DEBEHM
CC(C)C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179455277	279132480	/nfs/dbraw/zinc/13/24/80/279132480.db2.gz	ACUIUVJVIXMXGI-LLVKDONJSA-N	-1	3	309.366	2.007	10	5		DEBEHM
CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164381407	186157931	/nfs/dbraw/zinc/15/79/31/186157931.db2.gz	HMZHEFXNFJGEIU-LBPRGKRZSA-N	-1	3	309.366	2.007	10	5		DEBEHM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCc2[nH]ncc21	ZINC000182088616	199385911	/nfs/dbraw/zinc/38/59/11/199385911.db2.gz	HPMNQWSNQPSADX-VIFPVBQESA-N	-1	3	302.290	2.082	10	5		DEBEHM
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)C(C)C)c1	ZINC000081112842	192228501	/nfs/dbraw/zinc/22/85/01/192228501.db2.gz	GWDMQZHEPTXNFB-SNVBAGLBSA-N	-1	3	315.395	2.207	10	5		DEBEHM
C[C@H](Nc1[n-]cnc(=NN)c1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000159508922	197358835	/nfs/dbraw/zinc/35/88/35/197358835.db2.gz	JGHZWNHVHSJGME-ZETCQYMHSA-N	-1	3	308.729	2.497	10	5		DEBEHM
CSCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000128843699	401794915	/nfs/dbraw/zinc/79/49/15/401794915.db2.gz	PGIGFNQZKAAOQG-UHFFFAOYSA-N	-1	3	322.383	2.155	10	5		DEBEHM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000160859652	402362817	/nfs/dbraw/zinc/36/28/17/402362817.db2.gz	SERCLJKHLXZYQT-UHFFFAOYSA-N	-1	3	315.211	2.292	10	5		DEBEHM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000160859652	402362821	/nfs/dbraw/zinc/36/28/21/402362821.db2.gz	SERCLJKHLXZYQT-UHFFFAOYSA-N	-1	3	315.211	2.292	10	5		DEBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2CC2)c1	ZINC000182522829	402696741	/nfs/dbraw/zinc/69/67/41/402696741.db2.gz	XBHODQWUZFIVMJ-UHFFFAOYSA-N	-1	3	304.755	2.245	10	5		DEBEHM
CNc1sc(S(=O)(=O)[N-]CC(C)(C)C)cc1[N+](=O)[O-]	ZINC000157570666	197198722	/nfs/dbraw/zinc/19/87/22/197198722.db2.gz	BLUUVURBBJLYJW-UHFFFAOYSA-N	-1	3	307.397	2.022	10	5		DEBEHM
CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157537979	197195687	/nfs/dbraw/zinc/19/56/87/197195687.db2.gz	NTSFFGMTSXRYGR-UHFFFAOYSA-N	-1	3	307.397	2.167	10	5		DEBEHM
CCC(C)(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000113294296	401775673	/nfs/dbraw/zinc/77/56/73/401775673.db2.gz	LRICVMUOKAPZJX-UHFFFAOYSA-N	-1	3	316.379	2.460	10	5		DEBEHM
COC(=O)c1cc(NC(=O)c2cccc([O-])c2)cc([N+](=O)[O-])c1	ZINC000357287853	536561586	/nfs/dbraw/zinc/56/15/86/536561586.db2.gz	KETYIDUFTDLAHP-UHFFFAOYSA-N	-1	3	316.269	2.339	10	5		DEBEHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000172965227	623766323	/nfs/dbraw/zinc/76/63/23/623766323.db2.gz	WOQQGLPWHKIDBX-UHFFFAOYSA-N	-1	3	323.168	2.046	10	5		DEBEHM
CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000094332288	193359579	/nfs/dbraw/zinc/35/95/79/193359579.db2.gz	FFDNRQSXWMAEJP-GFCCVEGCSA-N	-1	3	313.379	2.034	10	5		DEBEHM
CCS(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1	ZINC000094189015	193348164	/nfs/dbraw/zinc/34/81/64/193348164.db2.gz	HKUANDUTLKFNAE-UHFFFAOYSA-N	-1	3	309.141	2.119	10	5		DEBEHM
CC1(C)C([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1(C)C	ZINC000131252510	196154072	/nfs/dbraw/zinc/15/40/72/196154072.db2.gz	IIWGEKIXGGHZQA-UHFFFAOYSA-N	-1	3	316.354	2.447	10	5		DEBEHM
C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1	ZINC000131937577	196211368	/nfs/dbraw/zinc/21/13/68/196211368.db2.gz	BSIXKWOROAFNNX-RKDXNWHRSA-N	-1	3	302.327	2.201	10	5		DEBEHM
O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000093585019	355684580	/nfs/dbraw/zinc/68/45/80/355684580.db2.gz	FWBMDBCPNXKQRI-CJNGLKHVSA-N	-1	3	306.362	2.427	10	5		DEBEHM
CC(C)C[C@H](NCc1cc([N+](=O)[O-])c(F)cc1F)C(=O)[O-]	ZINC000043434282	183363221	/nfs/dbraw/zinc/36/32/21/183363221.db2.gz	RHIMVUXWKSJVMC-NSHDSACASA-N	-1	3	302.277	2.462	10	5		DEBEHM
Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n[n-]1	ZINC000119901825	401970704	/nfs/dbraw/zinc/97/07/04/401970704.db2.gz	INBTUUMLEDEHSI-UHFFFAOYSA-N	-1	3	318.318	2.032	10	5		DEBEHM
Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)[n-]n1	ZINC000119901825	401970706	/nfs/dbraw/zinc/97/07/06/401970706.db2.gz	INBTUUMLEDEHSI-UHFFFAOYSA-N	-1	3	318.318	2.032	10	5		DEBEHM
Cc1cccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1	ZINC000055276997	402078858	/nfs/dbraw/zinc/07/88/58/402078858.db2.gz	QVLULHVJMAECOL-UHFFFAOYSA-N	-1	3	321.358	2.085	10	5		DEBEHM
CCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Br	ZINC000070238049	402259055	/nfs/dbraw/zinc/25/90/55/402259055.db2.gz	UELFCLWFDVERKE-UHFFFAOYSA-N	-1	3	309.141	2.119	10	5		DEBEHM
O=c1c(I)c[n-]c2cc([N+](=O)[O-])ccc12	ZINC000575434330	406810485	/nfs/dbraw/zinc/81/04/85/406810485.db2.gz	NXGJGGQNLKMBDQ-UHFFFAOYSA-N	-1	3	316.054	2.041	10	5		DEBEHM
CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131199549	196148598	/nfs/dbraw/zinc/14/85/98/196148598.db2.gz	ZPNSXAPYSIYFPF-RKDXNWHRSA-N	-1	3	304.343	2.447	10	5		DEBEHM
C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1	ZINC000131937132	196212148	/nfs/dbraw/zinc/21/21/48/196212148.db2.gz	BSIXKWOROAFNNX-BDAKNGLRSA-N	-1	3	302.327	2.201	10	5		DEBEHM
CC(C)C[C@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000158289101	279132965	/nfs/dbraw/zinc/13/29/65/279132965.db2.gz	FLSMRVJMQAJVKL-LLVKDONJSA-N	-1	3	309.366	2.007	10	5		DEBEHM
CCC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000192234039	282339839	/nfs/dbraw/zinc/33/98/39/282339839.db2.gz	MKKVWRVWPVRSBG-UHFFFAOYSA-N	-1	3	316.379	2.318	10	5		DEBEHM
NN=c1nc[n-]c(N[C@@H]2CCCc3sccc32)c1[N+](=O)[O-]	ZINC000160067821	197383677	/nfs/dbraw/zinc/38/36/77/197383677.db2.gz	OQEUAYWIKHWNFP-MRVPVSSYSA-N	-1	3	306.351	2.221	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccsc2)cc1F	ZINC000129864314	196081915	/nfs/dbraw/zinc/08/19/15/196081915.db2.gz	CDNJPAZHLLHTRI-UHFFFAOYSA-N	-1	3	316.335	2.274	10	5		DEBEHM
Nc1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1[N+](=O)[O-]	ZINC000131809690	196201144	/nfs/dbraw/zinc/20/11/44/196201144.db2.gz	HNPRUXQLTPEGHC-UHFFFAOYSA-N	-1	3	311.294	2.117	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[C@@H](C)C1	ZINC000132075666	196224350	/nfs/dbraw/zinc/22/43/50/196224350.db2.gz	KKBWVLSFSODCOL-ZJUUUORDSA-N	-1	3	314.363	2.070	10	5		DEBEHM
CCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C)CC2)c1	ZINC000134126066	196363231	/nfs/dbraw/zinc/36/32/31/196363231.db2.gz	REBOSVXVORQZAR-UHFFFAOYSA-N	-1	3	313.379	2.248	10	5		DEBEHM
CC(C)CCCC[N-]S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127048570	185915839	/nfs/dbraw/zinc/91/58/39/185915839.db2.gz	XBMWVZBFNQJPQO-UHFFFAOYSA-N	-1	3	315.395	2.282	10	5		DEBEHM
C[C@@H](N)c1nc(C(=O)[N-]c2cc(F)ccc2[N+](=O)[O-])cs1	ZINC000149106555	186048063	/nfs/dbraw/zinc/04/80/63/186048063.db2.gz	FYMNBLPTRBOWFA-ZCFIWIBFSA-N	-1	3	310.310	2.462	10	5		DEBEHM
COCc1nnc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])s1	ZINC000006524759	181350006	/nfs/dbraw/zinc/35/00/06/181350006.db2.gz	ZIFMJEIFGIMVTA-UHFFFAOYSA-N	-1	3	308.319	2.153	10	5		DEBEHM
COCCNc1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000040627603	183111123	/nfs/dbraw/zinc/11/11/23/183111123.db2.gz	AOBNIDKARCUJRK-UHFFFAOYSA-N	-1	3	307.285	2.326	10	5		DEBEHM
CC(C)C[C@@H](NCc1cc([N+](=O)[O-])c(F)cc1F)C(=O)[O-]	ZINC000043434284	183363256	/nfs/dbraw/zinc/36/32/56/183363256.db2.gz	RHIMVUXWKSJVMC-LLVKDONJSA-N	-1	3	302.277	2.462	10	5		DEBEHM
COc1ccc(C(=O)[N-]c2cc(Cl)ccc2[N+](=O)[O-])nn1	ZINC000061977889	184199368	/nfs/dbraw/zinc/19/93/68/184199368.db2.gz	YBVUWCMJBRDGII-UHFFFAOYSA-N	-1	3	308.681	2.299	10	5		DEBEHM
Cc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1	ZINC000055277078	402078803	/nfs/dbraw/zinc/07/88/03/402078803.db2.gz	JKTUARPLXJBRCG-UHFFFAOYSA-N	-1	3	321.358	2.085	10	5		DEBEHM
C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000131753583	196196881	/nfs/dbraw/zinc/19/68/81/196196881.db2.gz	FZCYPACFXHJOTA-SFYZADRCSA-N	-1	3	304.755	2.183	10	5		DEBEHM
CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000132572625	196267284	/nfs/dbraw/zinc/26/72/84/196267284.db2.gz	WKHWBLRONPVFGY-QMMMGPOBSA-N	-1	3	322.383	2.154	10	5		DEBEHM
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(F)c1	ZINC000132703364	196277553	/nfs/dbraw/zinc/27/75/53/196277553.db2.gz	FHVZZCBBRJQZJU-UHFFFAOYSA-N	-1	3	305.265	2.073	10	5		DEBEHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C3CC3)nc(C)n2)n1	ZINC000191677553	225115038	/nfs/dbraw/zinc/11/50/38/225115038.db2.gz	OEXSJFSRYOGRSQ-UHFFFAOYSA-N	-1	3	316.321	2.039	10	5		DEBEHM
CC[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000070109105	190858424	/nfs/dbraw/zinc/85/84/24/190858424.db2.gz	LDQOGEHPLUYOAH-NSHDSACASA-N	-1	3	313.379	2.034	10	5		DEBEHM
CCNc1cccc(S(=O)(=O)[N-]C2CC(C)C2)c1[N+](=O)[O-]	ZINC000163898338	186141774	/nfs/dbraw/zinc/14/17/74/186141774.db2.gz	LGBWZYHSWYXPMA-UHFFFAOYSA-N	-1	3	313.379	2.103	10	5		DEBEHM
Nc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c1	ZINC000093634354	193277092	/nfs/dbraw/zinc/27/70/92/193277092.db2.gz	UQHGAXCEMLYYDV-UHFFFAOYSA-N	-1	3	311.294	2.117	10	5		DEBEHM
COc1cccc(Nc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])c1	ZINC000040586827	183105858	/nfs/dbraw/zinc/10/58/58/183105858.db2.gz	BRERKXYUGHIDEA-UHFFFAOYSA-N	-1	3	304.310	2.026	10	5		DEBEHM
COc1ccc(Nc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040628744	183111151	/nfs/dbraw/zinc/11/11/51/183111151.db2.gz	DDQVYIFPYNPBMJ-UHFFFAOYSA-N	-1	3	304.310	2.026	10	5		DEBEHM
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(C)C)c1	ZINC000062097996	184205999	/nfs/dbraw/zinc/20/59/99/184205999.db2.gz	UBAUSYCGBYOJOP-UHFFFAOYSA-N	-1	3	315.395	2.351	10	5		DEBEHM
CCOc1ncnc([N-]c2ccc(C(=O)OC)cc2)c1[N+](=O)[O-]	ZINC000040649820	183114095	/nfs/dbraw/zinc/11/40/95/183114095.db2.gz	DBRAEUBUPXFAFR-UHFFFAOYSA-N	-1	3	318.289	2.314	10	5		DEBEHM
C[C@@H](Nc1[n-]cnc(=NN)c1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000159505277	197358790	/nfs/dbraw/zinc/35/87/90/197358790.db2.gz	DYGMQSZZPSOWEX-SSDOTTSWSA-N	-1	3	308.729	2.497	10	5		DEBEHM
CC(C)C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000137110214	401979171	/nfs/dbraw/zinc/97/91/71/401979171.db2.gz	YYBIHILPSCWVBY-GFCCVEGCSA-N	-1	3	309.366	2.007	10	5		DEBEHM
C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000407990902	405085407	/nfs/dbraw/zinc/08/54/07/405085407.db2.gz	QXYXMMJPSMDHFX-TZMCWYRMSA-N	-1	3	305.378	2.359	10	5		DEBEHM
CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131163797	196145736	/nfs/dbraw/zinc/14/57/36/196145736.db2.gz	JESJFSLIPWSUEJ-SECBINFHSA-N	-1	3	304.343	2.447	10	5		DEBEHM
C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C	ZINC000131240786	196153487	/nfs/dbraw/zinc/15/34/87/196153487.db2.gz	KJGNVRBGOXIAOH-LNLATYFQSA-N	-1	3	316.354	2.447	10	5		DEBEHM
CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n[n-]1	ZINC000180927299	333166122	/nfs/dbraw/zinc/16/61/22/333166122.db2.gz	JTZMYSBKZXTKOH-UHFFFAOYSA-N	-1	3	324.318	2.117	10	5		DEBEHM
CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)[n-]n1	ZINC000180927299	333166124	/nfs/dbraw/zinc/16/61/24/333166124.db2.gz	JTZMYSBKZXTKOH-UHFFFAOYSA-N	-1	3	324.318	2.117	10	5		DEBEHM
CCN(CCO)c1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000040614061	183108627	/nfs/dbraw/zinc/10/86/27/183108627.db2.gz	BEEBPRDWCBUHPB-UHFFFAOYSA-N	-1	3	321.312	2.086	10	5		DEBEHM
Cc1c(F)cc(S(=O)(=O)[N-]CC2CCC2)cc1[N+](=O)[O-]	ZINC000186268332	402416430	/nfs/dbraw/zinc/41/64/30/402416430.db2.gz	QPPHNZPBASLSHM-UHFFFAOYSA-N	-1	3	302.327	2.121	10	5		DEBEHM
CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(C)C	ZINC000131200731	196149576	/nfs/dbraw/zinc/14/95/76/196149576.db2.gz	LDQPCBSWKXEMQI-NSHDSACASA-N	-1	3	304.343	2.447	10	5		DEBEHM
C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1	ZINC000131937762	196212007	/nfs/dbraw/zinc/21/20/07/196212007.db2.gz	BSIXKWOROAFNNX-DTWKUNHWSA-N	-1	3	302.327	2.201	10	5		DEBEHM
Cc1nn(C)c(C)c1OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000800436625	645272208	/nfs/dbraw/zinc/27/22/08/645272208.db2.gz	IMBLATFSBYRDCA-UHFFFAOYSA-N	-1	3	315.289	2.041	10	5		DEBEHM
C[C@H](C1CC1)n1nccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000188376042	200235482	/nfs/dbraw/zinc/23/54/82/200235482.db2.gz	YJDZHPZWONFAQF-MRVPVSSYSA-N	-1	3	317.305	2.115	10	5		DEBEHM
Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cc1	ZINC000043474498	183366005	/nfs/dbraw/zinc/36/60/05/183366005.db2.gz	KYRPAXPGWJLGIR-UHFFFAOYSA-N	-1	3	311.294	2.117	10	5		DEBEHM
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(C)C)c1	ZINC000050650790	183794151	/nfs/dbraw/zinc/79/41/51/183794151.db2.gz	RTUDRVOFZJLREA-JTQLQIEISA-N	-1	3	315.395	2.349	10	5		DEBEHM
CCC(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157550026	197196652	/nfs/dbraw/zinc/19/66/52/197196652.db2.gz	FIKUQRGUBWHPGL-UHFFFAOYSA-N	-1	3	307.397	2.165	10	5		DEBEHM
CCC[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157568430	197198170	/nfs/dbraw/zinc/19/81/70/197198170.db2.gz	BHLKGTPPZLFNEF-ZETCQYMHSA-N	-1	3	307.397	2.096	10	5		DEBEHM
O=C([N-]OCC(F)(F)F)c1cc(F)c(F)cc1[N+](=O)[O-]	ZINC000156159536	197090646	/nfs/dbraw/zinc/09/06/46/197090646.db2.gz	AZTGKEGRKBSCMO-UHFFFAOYSA-N	-1	3	300.139	2.097	10	5		DEBEHM
Cc1cc([N+](=O)[O-])cc2[n-]nc(I)c21	ZINC000014985658	401814508	/nfs/dbraw/zinc/81/45/08/401814508.db2.gz	QJGKMXBICJYOCY-UHFFFAOYSA-N	-1	3	303.059	2.384	10	5		DEBEHM
Cc1cc([N+](=O)[O-])cc2n[n-]c(I)c21	ZINC000014985658	401814511	/nfs/dbraw/zinc/81/45/11/401814511.db2.gz	QJGKMXBICJYOCY-UHFFFAOYSA-N	-1	3	303.059	2.384	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)cc1F	ZINC000131208187	196149121	/nfs/dbraw/zinc/14/91/21/196149121.db2.gz	KNXLZUCTSAPRQK-SNVBAGLBSA-N	-1	3	314.338	2.369	10	5		DEBEHM
CN(C)N=c1nc[n-]c(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-]	ZINC000040628970	183111138	/nfs/dbraw/zinc/11/11/38/183111138.db2.gz	NCRPAHOUPVGKGG-UHFFFAOYSA-N	-1	3	310.264	2.295	10	5		DEBEHM
CCCNc1sc(S(=O)(=O)[N-]C(C)C)cc1[N+](=O)[O-]	ZINC000157546523	197196415	/nfs/dbraw/zinc/19/64/15/197196415.db2.gz	SZMCESYVRGFDFL-UHFFFAOYSA-N	-1	3	307.397	2.165	10	5		DEBEHM
CCC(C)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000113294393	401775420	/nfs/dbraw/zinc/77/54/20/401775420.db2.gz	BNKIAYCOXIQZAO-UHFFFAOYSA-N	-1	3	316.379	2.460	10	5		DEBEHM
Cc1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1	ZINC000055277017	402079082	/nfs/dbraw/zinc/07/90/82/402079082.db2.gz	FOFJTTRADWDXGI-UHFFFAOYSA-N	-1	3	321.358	2.085	10	5		DEBEHM
CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000158288984	402304112	/nfs/dbraw/zinc/30/41/12/402304112.db2.gz	FLSMRVJMQAJVKL-NSHDSACASA-N	-1	3	309.366	2.007	10	5		DEBEHM
CCCn1c(=O)[n-]nc1SCCOc1ccccc1[N+](=O)[O-]	ZINC000053449226	535579929	/nfs/dbraw/zinc/57/99/29/535579929.db2.gz	UKLHONQMZDTOKK-UHFFFAOYSA-N	-1	3	324.362	2.061	10	5		DEBEHM
COc1ccc(CNC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-]	ZINC000357334951	536889693	/nfs/dbraw/zinc/88/96/93/536889693.db2.gz	IUMFAGXBKCDTLV-UHFFFAOYSA-N	-1	3	302.286	2.239	10	5		DEBEHM
CCCNc1cccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)c1[N+](=O)[O-]	ZINC000126984640	185909777	/nfs/dbraw/zinc/90/97/77/185909777.db2.gz	HIKQWQKCWGISGV-MWLCHTKSSA-N	-1	3	313.379	2.103	10	5		DEBEHM
O=C([N-]c1ccc(Br)nc1[N+](=O)[O-])C(F)(F)F	ZINC000306673846	356405428	/nfs/dbraw/zinc/40/54/28/356405428.db2.gz	OQDOVWZHTUYHQU-UHFFFAOYSA-N	-1	3	314.017	2.253	10	5		DEBEHM
C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000610518464	361415206	/nfs/dbraw/zinc/41/52/06/361415206.db2.gz	QSTDVXCOTNWNLZ-LLVKDONJSA-N	-1	3	321.358	2.072	10	5		DEBEHM
CS[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000130583840	196093044	/nfs/dbraw/zinc/09/30/44/196093044.db2.gz	FCDTYWYXDBJJHC-QMMMGPOBSA-N	-1	3	322.383	2.154	10	5		DEBEHM
CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131199726	196149932	/nfs/dbraw/zinc/14/99/32/196149932.db2.gz	ZPNSXAPYSIYFPF-DTWKUNHWSA-N	-1	3	304.343	2.447	10	5		DEBEHM
O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc([O-])c1	ZINC000576184037	326275619	/nfs/dbraw/zinc/27/56/19/326275619.db2.gz	WPVBDRNZXSITBQ-UHFFFAOYSA-N	-1	3	302.286	2.109	10	5		DEBEHM
CCCc1cnc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])s1	ZINC000191701196	528657720	/nfs/dbraw/zinc/65/77/20/528657720.db2.gz	FGKDTGCJICWXDT-UHFFFAOYSA-N	-1	3	309.351	2.473	10	5		DEBEHM
CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000126950255	185906715	/nfs/dbraw/zinc/90/67/15/185906715.db2.gz	SPLRUXCPOCUBOL-VHSXEESVSA-N	-1	3	315.395	2.349	10	5		DEBEHM
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000187973166	200185303	/nfs/dbraw/zinc/18/53/03/200185303.db2.gz	CJOJXRJICLZENY-BIRHUZIMSA-N	-1	3	306.318	2.082	10	5		DEBEHM
NN=c1nc[n-]c(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-]	ZINC000040621610	183109601	/nfs/dbraw/zinc/10/96/01/183109601.db2.gz	BVEVKZWLDYQTQX-UHFFFAOYSA-N	-1	3	304.354	2.051	10	5		DEBEHM
CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000057102665	184026833	/nfs/dbraw/zinc/02/68/33/184026833.db2.gz	RIUGEFHKXGEVRA-UWVGGRQHSA-N	-1	3	316.379	2.316	10	5		DEBEHM
CS[C@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000130584056	196093377	/nfs/dbraw/zinc/09/33/77/196093377.db2.gz	FCDTYWYXDBJJHC-MRVPVSSYSA-N	-1	3	322.383	2.154	10	5		DEBEHM
Cc1nnc([N-]C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)s1	ZINC000123758723	185839149	/nfs/dbraw/zinc/83/91/49/185839149.db2.gz	ORJPENPSYHAUCM-UHFFFAOYSA-N	-1	3	313.726	2.243	10	5		DEBEHM
CC(C)(C)O[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000148832184	186046083	/nfs/dbraw/zinc/04/60/83/186046083.db2.gz	XNQBNLXQEOQMAV-UHFFFAOYSA-N	-1	3	308.743	2.257	10	5		DEBEHM
CC(C)C[C@H](CN(C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164381520	186158226	/nfs/dbraw/zinc/15/82/26/186158226.db2.gz	HMZHEFXNFJGEIU-GFCCVEGCSA-N	-1	3	309.366	2.007	10	5		DEBEHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CCCCC3)n1	ZINC000271417738	402869144	/nfs/dbraw/zinc/86/91/44/402869144.db2.gz	PLWNMMHOUHGMPM-UHFFFAOYSA-N	-1	3	321.362	2.306	10	5		DEBEHM
CCCCCC[N-]S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127017419	185913111	/nfs/dbraw/zinc/91/31/11/185913111.db2.gz	XXQOSXSYDUHNDO-UHFFFAOYSA-N	-1	3	301.368	2.036	10	5		DEBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]OC(C)(C)C)cc1C	ZINC000148834020	186046428	/nfs/dbraw/zinc/04/64/28/186046428.db2.gz	GAYPTTPPQKVTMH-UHFFFAOYSA-N	-1	3	302.352	2.220	10	5		DEBEHM
Cc1cc(C)n(-c2ncnc([N-]c3cccnc3)c2[N+](=O)[O-])n1	ZINC000040628638	183110471	/nfs/dbraw/zinc/11/04/71/183110471.db2.gz	PYTVMVDAQMHSOK-UHFFFAOYSA-N	-1	3	311.305	2.326	10	5		DEBEHM
O=c1[n-]nc(Sc2nc(Cl)ccc2[N+](=O)[O-])n1C1CC1	ZINC000061595979	184176569	/nfs/dbraw/zinc/17/65/69/184176569.db2.gz	VGJFKLKLPDXBPO-UHFFFAOYSA-N	-1	3	313.726	2.014	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(C2CC2)C2CC2)cc1F	ZINC000131193971	196148863	/nfs/dbraw/zinc/14/88/63/196148863.db2.gz	QCDCBKNZGLMWBH-UHFFFAOYSA-N	-1	3	314.338	2.201	10	5		DEBEHM
O=C([N-]c1ncc([N+](=O)[O-])s1)c1cc(F)ccc1[N+](=O)[O-]	ZINC000040690647	183118531	/nfs/dbraw/zinc/11/85/31/183118531.db2.gz	ANCHJQFLYMNURB-UHFFFAOYSA-N	-1	3	312.238	2.351	10	5		DEBEHM
O=[N+]([O-])c1c(N2CCCC2)nc[n-]c1=NNc1ccccc1	ZINC000040608986	183108874	/nfs/dbraw/zinc/10/88/74/183108874.db2.gz	NFGKMLKJALNNFZ-UHFFFAOYSA-N	-1	3	300.322	2.424	10	5		DEBEHM
O=[N+]([O-])c1c(N2CCCC2)[n-]cnc1=NNc1ccccc1	ZINC000040608986	183108875	/nfs/dbraw/zinc/10/88/75/183108875.db2.gz	NFGKMLKJALNNFZ-UHFFFAOYSA-N	-1	3	300.322	2.424	10	5		DEBEHM
CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1)C(C)C	ZINC000125489454	195755175	/nfs/dbraw/zinc/75/51/75/195755175.db2.gz	FXNXIIPZUNRWFY-MRVPVSSYSA-N	-1	3	321.424	2.411	10	5		DEBEHM
O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000408008663	405089242	/nfs/dbraw/zinc/08/92/42/405089242.db2.gz	FWBMDBCPNXKQRI-BBRMVZONSA-N	-1	3	306.362	2.427	10	5		DEBEHM
C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131230008	196152200	/nfs/dbraw/zinc/15/22/00/196152200.db2.gz	MJJCCIWJUWYEHF-QMMMGPOBSA-N	-1	3	302.327	2.201	10	5		DEBEHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]OC2CCCC2)ccc1Cl	ZINC000136972571	196559016	/nfs/dbraw/zinc/55/90/16/196559016.db2.gz	FGLCNDPGWOTRQQ-UHFFFAOYSA-N	-1	3	320.754	2.401	10	5		DEBEHM
COc1nnc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]1	ZINC000190395182	278086073	/nfs/dbraw/zinc/08/60/73/278086073.db2.gz	RDZLNCFORNWXKK-UHFFFAOYSA-N	-1	3	305.294	2.097	10	5		DEBEHM
COc1nc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[n-]1	ZINC000190395182	278086074	/nfs/dbraw/zinc/08/60/74/278086074.db2.gz	RDZLNCFORNWXKK-UHFFFAOYSA-N	-1	3	305.294	2.097	10	5		DEBEHM
COc1n[n-]c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1	ZINC000190395182	278086077	/nfs/dbraw/zinc/08/60/77/278086077.db2.gz	RDZLNCFORNWXKK-UHFFFAOYSA-N	-1	3	305.294	2.097	10	5		DEBEHM
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)C(C)C)c1	ZINC000081112840	192227650	/nfs/dbraw/zinc/22/76/50/192227650.db2.gz	GWDMQZHEPTXNFB-JTQLQIEISA-N	-1	3	315.395	2.207	10	5		DEBEHM
CN(C)c1ncnc([N-]c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000040608448	183108758	/nfs/dbraw/zinc/10/87/58/183108758.db2.gz	MPHPIGDNPQZOAX-UHFFFAOYSA-N	-1	3	304.266	2.103	10	5		DEBEHM
CNc1sc(S(=O)(=O)[N-]CCC(C)C)cc1[N+](=O)[O-]	ZINC000157540541	197195383	/nfs/dbraw/zinc/19/53/83/197195383.db2.gz	ODJPUDPMHKGFGV-UHFFFAOYSA-N	-1	3	307.397	2.022	10	5		DEBEHM
CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000525351810	406486123	/nfs/dbraw/zinc/48/61/23/406486123.db2.gz	MAGKTUFVFRHPTP-UHFFFAOYSA-N	-1	3	318.289	2.055	10	5		DEBEHM
CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000525351810	406486127	/nfs/dbraw/zinc/48/61/27/406486127.db2.gz	MAGKTUFVFRHPTP-UHFFFAOYSA-N	-1	3	318.289	2.055	10	5		DEBEHM
CC(C)C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179455266	278974236	/nfs/dbraw/zinc/97/42/36/278974236.db2.gz	ACUIUVJVIXMXGI-NSHDSACASA-N	-1	3	309.366	2.007	10	5		DEBEHM
COc1ccc(Cl)c(Nc2[n-]cnc(=NN)c2[N+](=O)[O-])c1	ZINC000159752607	186139914	/nfs/dbraw/zinc/13/99/14/186139914.db2.gz	IISOUXLDHRPAKZ-UHFFFAOYSA-N	-1	3	310.701	2.076	10	5		DEBEHM
CCCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1	ZINC000157577864	197199115	/nfs/dbraw/zinc/19/91/15/197199115.db2.gz	YAJWVASEQGRSTC-SSDOTTSWSA-N	-1	3	307.397	2.096	10	5		DEBEHM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccco1	ZINC000131165994	196145418	/nfs/dbraw/zinc/14/54/18/196145418.db2.gz	QQQWLSGCXMMLOR-QMMMGPOBSA-N	-1	3	314.294	2.366	10	5		DEBEHM
CCCC(C)(C)[N-]S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000133733219	196332253	/nfs/dbraw/zinc/33/22/53/196332253.db2.gz	FHJWVXFJDRWLSZ-UHFFFAOYSA-N	-1	3	315.395	2.494	10	5		DEBEHM
Cc1ccn2c(c1)nnc2[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000088255259	418492430	/nfs/dbraw/zinc/49/24/30/418492430.db2.gz	CLKSAAOMOBFTRT-UHFFFAOYSA-N	-1	3	303.303	2.260	10	5		DEBEHM
CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000088311766	185245346	/nfs/dbraw/zinc/24/53/46/185245346.db2.gz	SJZKBDKFHGNRJH-ZJUUUORDSA-N	-1	3	315.395	2.280	10	5		DEBEHM
C[C@@H](C1CC1)n1nccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000188376018	200235803	/nfs/dbraw/zinc/23/58/03/200235803.db2.gz	YJDZHPZWONFAQF-QMMMGPOBSA-N	-1	3	317.305	2.115	10	5		DEBEHM
C[C@H](Nc1[n-]cnc(=NN)c1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000159505159	197359101	/nfs/dbraw/zinc/35/91/01/197359101.db2.gz	DYGMQSZZPSOWEX-ZETCQYMHSA-N	-1	3	308.729	2.497	10	5		DEBEHM
CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000057102664	184026822	/nfs/dbraw/zinc/02/68/22/184026822.db2.gz	RIUGEFHKXGEVRA-ZJUUUORDSA-N	-1	3	316.379	2.316	10	5		DEBEHM
CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000057102662	184026980	/nfs/dbraw/zinc/02/69/80/184026980.db2.gz	RIUGEFHKXGEVRA-NXEZZACHSA-N	-1	3	316.379	2.316	10	5		DEBEHM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1	ZINC000066327422	402131142	/nfs/dbraw/zinc/13/11/42/402131142.db2.gz	FVFAIGUWXFKOOC-MRVPVSSYSA-N	-1	3	313.360	2.091	10	5		DEBEHM
C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000132011580	196218999	/nfs/dbraw/zinc/21/89/99/196218999.db2.gz	CEHWFVBSJLZPPV-RKDXNWHRSA-N	-1	3	302.327	2.201	10	5		DEBEHM
CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(C)C2)c1	ZINC000133618972	186000712	/nfs/dbraw/zinc/00/07/12/186000712.db2.gz	HPOANBAMZPWBHO-UHFFFAOYSA-N	-1	3	313.379	2.103	10	5		DEBEHM
CCNc1sc(S(=O)(=O)[N-]CC(C)C)cc1[N+](=O)[O-]	ZINC000157549258	197195914	/nfs/dbraw/zinc/19/59/14/197195914.db2.gz	LFFQBPQZEODUSQ-UHFFFAOYSA-N	-1	3	307.397	2.022	10	5		DEBEHM
Cn1ccnc1-c1cc(NC(=O)c2csc([N+](=O)[O-])c2)n[n-]1	ZINC000179054372	402568488	/nfs/dbraw/zinc/56/84/88/402568488.db2.gz	SMEDRYINHBGIMT-UHFFFAOYSA-N	-1	3	318.318	2.032	10	5		DEBEHM
Cn1ccnc1-c1cc(NC(=O)c2csc([N+](=O)[O-])c2)[n-]n1	ZINC000179054372	402568490	/nfs/dbraw/zinc/56/84/90/402568490.db2.gz	SMEDRYINHBGIMT-UHFFFAOYSA-N	-1	3	318.318	2.032	10	5		DEBEHM
Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nncn1-c1ccccc1	ZINC000181123017	402636096	/nfs/dbraw/zinc/63/60/96/402636096.db2.gz	VDIDUDBHRHVSHB-UHFFFAOYSA-N	-1	3	324.300	2.131	10	5		DEBEHM
CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131200112	196149102	/nfs/dbraw/zinc/14/91/02/196149102.db2.gz	ZPNSXAPYSIYFPF-IUCAKERBSA-N	-1	3	304.343	2.447	10	5		DEBEHM
O=C([N-]c1cc(Cl)ccc1[N+](=O)[O-])c1cnn2c1OCCC2	ZINC000090627069	185307534	/nfs/dbraw/zinc/30/75/34/185307534.db2.gz	KHTUMTLDQDLWGX-UHFFFAOYSA-N	-1	3	322.708	2.480	10	5		DEBEHM
CCOC(=O)C([O-])=Cc1cc(-c2ccccc2)ncc1[N+](=O)[O-]	ZINC000140440513	355885606	/nfs/dbraw/zinc/88/56/06/355885606.db2.gz	IEPCCVCTMNNTIY-UHFFFAOYSA-N	-1	3	314.297	2.332	10	5		DEBEHM
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000094780395	193397616	/nfs/dbraw/zinc/39/76/16/193397616.db2.gz	AZXRPVPFSHKHCG-UHFFFAOYSA-N	-1	3	307.331	2.286	10	5		DEBEHM
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc([O-])cc2)c(F)c1	ZINC000043474531	183366015	/nfs/dbraw/zinc/36/60/15/183366015.db2.gz	YCJDBAHAHUAFCH-UHFFFAOYSA-N	-1	3	312.278	2.240	10	5		DEBEHM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(O)cc2)c(F)c1	ZINC000043474531	183366018	/nfs/dbraw/zinc/36/60/18/183366018.db2.gz	YCJDBAHAHUAFCH-UHFFFAOYSA-N	-1	3	312.278	2.240	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)C(C)C	ZINC000172665667	402668906	/nfs/dbraw/zinc/66/89/06/402668906.db2.gz	WRHHDYWWGSHRRG-SNVBAGLBSA-N	-1	3	316.379	2.174	10	5		DEBEHM
CCNc1sc(S(=O)(=O)[N-][C@@H](C)CC)cc1[N+](=O)[O-]	ZINC000157548034	197196435	/nfs/dbraw/zinc/19/64/35/197196435.db2.gz	SSJHYMZWVGNCDM-ZETCQYMHSA-N	-1	3	307.397	2.165	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(C)C	ZINC000075660251	401766447	/nfs/dbraw/zinc/76/64/47/401766447.db2.gz	YUEFSDONCOPQAO-UHFFFAOYSA-N	-1	3	316.379	2.318	10	5		DEBEHM
C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131221278	196151309	/nfs/dbraw/zinc/15/13/09/196151309.db2.gz	LDACBLWCMWKRQI-KCJUWKMLSA-N	-1	3	302.327	2.201	10	5		DEBEHM
CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000088311767	185245280	/nfs/dbraw/zinc/24/52/80/185245280.db2.gz	SJZKBDKFHGNRJH-UWVGGRQHSA-N	-1	3	315.395	2.280	10	5		DEBEHM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC2CC2)c1	ZINC000088456218	185251779	/nfs/dbraw/zinc/25/17/79/185251779.db2.gz	VMLJOOKMSVPILA-UHFFFAOYSA-N	-1	3	304.755	2.327	10	5		DEBEHM
C[C@@H](Nc1[n-]cnc(=NN)c1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000159509064	197358487	/nfs/dbraw/zinc/35/84/87/197358487.db2.gz	JGHZWNHVHSJGME-SSDOTTSWSA-N	-1	3	308.729	2.497	10	5		DEBEHM
CC[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157581711	197200214	/nfs/dbraw/zinc/20/02/14/197200214.db2.gz	KORYBQPBACGVOB-ZETCQYMHSA-N	-1	3	307.397	2.022	10	5		DEBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)C(C)C	ZINC000172665663	402668977	/nfs/dbraw/zinc/66/89/77/402668977.db2.gz	WRHHDYWWGSHRRG-JTQLQIEISA-N	-1	3	316.379	2.174	10	5		DEBEHM
CC1(C)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000045136334	183483558	/nfs/dbraw/zinc/48/35/58/183483558.db2.gz	ITMCDFSMOAKYGK-SNVBAGLBSA-N	-1	3	304.755	2.325	10	5		DEBEHM
CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000050671263	183797291	/nfs/dbraw/zinc/79/72/91/183797291.db2.gz	LHJVAUGXPXAKMM-SFYZADRCSA-N	-1	3	319.358	2.029	10	5		DEBEHM
CC(=O)c1ccc(Cl)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000355668366	133041162	/nfs/dbraw/zinc/04/11/62/133041162.db2.gz	GBHVMWLESKMDIA-UHFFFAOYSA-N	-1	3	322.708	2.437	10	5		DEBEHM
Cc1sc(C(=O)[N-]c2cc(C(N)=O)ccc2F)cc1[N+](=O)[O-]	ZINC000044629733	401946037	/nfs/dbraw/zinc/94/60/37/401946037.db2.gz	UHISEWJHAQGCQG-UHFFFAOYSA-N	-1	3	323.305	2.455	10	5		DEBEHM
CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1	ZINC000175693148	402825325	/nfs/dbraw/zinc/82/53/25/402825325.db2.gz	XMYKLMMRGKBBNX-UHFFFAOYSA-N	-1	3	302.327	2.202	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccs2)cc1F	ZINC000129856563	196080689	/nfs/dbraw/zinc/08/06/89/196080689.db2.gz	ZZWHLMXGQBVQDX-UHFFFAOYSA-N	-1	3	316.335	2.274	10	5		DEBEHM
COc1nnc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[n-]1	ZINC000179359783	199021123	/nfs/dbraw/zinc/02/11/23/199021123.db2.gz	WZCLUEOIKOLLKW-UHFFFAOYSA-N	-1	3	319.321	2.271	10	5		DEBEHM
COc1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[n-]1	ZINC000179359783	199021124	/nfs/dbraw/zinc/02/11/24/199021124.db2.gz	WZCLUEOIKOLLKW-UHFFFAOYSA-N	-1	3	319.321	2.271	10	5		DEBEHM
COc1n[n-]c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1	ZINC000179359783	199021125	/nfs/dbraw/zinc/02/11/25/199021125.db2.gz	WZCLUEOIKOLLKW-UHFFFAOYSA-N	-1	3	319.321	2.271	10	5		DEBEHM
CC(C)(C)NN=c1nc[n-]c(NCc2cccnc2)c1[N+](=O)[O-]	ZINC000040585515	183105737	/nfs/dbraw/zinc/10/57/37/183105737.db2.gz	FPAKKBJQKYRVSN-UHFFFAOYSA-N	-1	3	317.353	2.107	10	5		DEBEHM
CC[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157581546	197199003	/nfs/dbraw/zinc/19/90/03/197199003.db2.gz	KORYBQPBACGVOB-SSDOTTSWSA-N	-1	3	307.397	2.022	10	5		DEBEHM
CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000172666261	402668887	/nfs/dbraw/zinc/66/88/87/402668887.db2.gz	OFOAJUMNGGAHKX-VIFPVBQESA-N	-1	3	304.343	2.304	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)cc1F	ZINC000131207953	196149490	/nfs/dbraw/zinc/14/94/90/196149490.db2.gz	KNXLZUCTSAPRQK-JTQLQIEISA-N	-1	3	314.338	2.369	10	5		DEBEHM
C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000132011411	196218949	/nfs/dbraw/zinc/21/89/49/196218949.db2.gz	CEHWFVBSJLZPPV-IUCAKERBSA-N	-1	3	302.327	2.201	10	5		DEBEHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2C(C)=O)n1	ZINC000191707284	225116051	/nfs/dbraw/zinc/11/60/51/225116051.db2.gz	LXLOUZRRJRVOLE-UHFFFAOYSA-N	-1	3	320.280	2.405	10	5		DEBEHM
CCC(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000070828095	354888686	/nfs/dbraw/zinc/88/86/86/354888686.db2.gz	FHZCTOISWPMOAW-UHFFFAOYSA-N	-1	3	302.352	2.070	10	5		DEBEHM
O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000093585018	355684678	/nfs/dbraw/zinc/68/46/78/355684678.db2.gz	FWBMDBCPNXKQRI-CZUORRHYSA-N	-1	3	306.362	2.427	10	5		DEBEHM
CN(C)Nc1ncnc([N-]c2cccnc2Cl)c1[N+](=O)[O-]	ZINC000040629033	183110564	/nfs/dbraw/zinc/11/05/64/183110564.db2.gz	BWTKHDXWVDXXTM-UHFFFAOYSA-N	-1	3	309.717	2.065	10	5		DEBEHM
O=C([O-])CCCNCc1cc(Br)ccc1[N+](=O)[O-]	ZINC000122070118	195397558	/nfs/dbraw/zinc/39/75/58/195397558.db2.gz	WHSONCMDEOSYEQ-UHFFFAOYSA-N	-1	3	317.139	2.312	10	5		DEBEHM
Cc1sc(S(=O)(=O)[N-]CCCC2CC2)cc1[N+](=O)[O-]	ZINC000547347781	285562062	/nfs/dbraw/zinc/56/20/62/285562062.db2.gz	BCBQQQABDKYECT-UHFFFAOYSA-N	-1	3	304.393	2.433	10	5		DEBEHM
C[C@@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000185411266	402351172	/nfs/dbraw/zinc/35/11/72/402351172.db2.gz	PTEXLVLYJXWHQY-LBPRGKRZSA-N	-1	3	321.377	2.295	10	5		DEBEHM
C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C	ZINC000131241144	196153622	/nfs/dbraw/zinc/15/36/22/196153622.db2.gz	KJGNVRBGOXIAOH-KBVBSXBZSA-N	-1	3	316.354	2.447	10	5		DEBEHM
CCN(CC(=O)[O-])Cc1ccc(Br)cc1[N+](=O)[O-]	ZINC000158810527	197302816	/nfs/dbraw/zinc/30/28/16/197302816.db2.gz	KUDBNISDCOCJBV-UHFFFAOYSA-N	-1	3	317.139	2.264	10	5		DEBEHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NCCC)s1	ZINC000157543780	197195593	/nfs/dbraw/zinc/19/55/93/197195593.db2.gz	ZYTQVXMMNQYHQT-UHFFFAOYSA-N	-1	3	307.397	2.167	10	5		DEBEHM
Cc1c(F)cc(S(=O)(=O)[N-][C@H]2CC=CCC2)cc1[N+](=O)[O-]	ZINC000184779134	402299233	/nfs/dbraw/zinc/29/92/33/402299233.db2.gz	QHGUZZDAMJQSAT-JTQLQIEISA-N	-1	3	314.338	2.429	10	5		DEBEHM
C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1	ZINC000131937336	196211819	/nfs/dbraw/zinc/21/18/19/196211819.db2.gz	BSIXKWOROAFNNX-IUCAKERBSA-N	-1	3	302.327	2.201	10	5		DEBEHM
Cc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000132613490	196271195	/nfs/dbraw/zinc/27/11/95/196271195.db2.gz	GLGJSFKDBVHMAM-VIFPVBQESA-N	-1	3	304.343	2.365	10	5		DEBEHM
CC(C)CCC[N-]S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F	ZINC000062098029	184206085	/nfs/dbraw/zinc/20/60/85/184206085.db2.gz	YTJMCGAXDJDLCS-UHFFFAOYSA-N	-1	3	319.358	2.031	10	5		DEBEHM
COc1cc(CNCCOCC2CCC2)c([N+](=O)[O-])cc1[O-]	ZINC000557555986	291869780	/nfs/dbraw/zinc/86/97/80/291869780.db2.gz	JVVYUZMYAOKRCW-UHFFFAOYSA-N	-1	3	310.350	2.215	10	5		DEBEHM
CCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157544254	197195261	/nfs/dbraw/zinc/19/52/61/197195261.db2.gz	OUHOTHFVZLTZQG-UHFFFAOYSA-N	-1	3	307.397	2.165	10	5		DEBEHM
COCc1csc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])n1	ZINC000115246140	401822015	/nfs/dbraw/zinc/82/20/15/401822015.db2.gz	OSJNTSYAFIWSMD-UHFFFAOYSA-N	-1	3	323.330	2.459	10	5		DEBEHM
C[C@@H]1CN2CCCC[C@H]2CN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000407990900	405084471	/nfs/dbraw/zinc/08/44/71/405084471.db2.gz	QXYXMMJPSMDHFX-OCCSQVGLSA-N	-1	3	305.378	2.359	10	5		DEBEHM
C[C@H](CN1CCCCCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000185421871	298586898	/nfs/dbraw/zinc/58/68/98/298586898.db2.gz	IZYCWSQNJKJKAB-GFCCVEGCSA-N	-1	3	321.377	2.295	10	5		DEBEHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C3CC3)cs2)n1	ZINC000191523340	529155046	/nfs/dbraw/zinc/15/50/46/529155046.db2.gz	GWLSTUCRJFXTNJ-UHFFFAOYSA-N	-1	3	307.335	2.397	10	5		DEBEHM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1	ZINC000066327351	402131216	/nfs/dbraw/zinc/13/12/16/402131216.db2.gz	ZDOFLNIJMYUABC-QMMMGPOBSA-N	-1	3	313.360	2.091	10	5		DEBEHM
COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C(C)C)cc1[N+](=O)[O-]	ZINC000186191969	402409008	/nfs/dbraw/zinc/40/90/08/402409008.db2.gz	PDNAGLTVEUDYFG-MRVPVSSYSA-N	-1	3	320.342	2.065	10	5		DEBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1COc2ccccc21	ZINC000194624424	402806138	/nfs/dbraw/zinc/80/61/38/402806138.db2.gz	ABANYPLXZBFDGM-LLVKDONJSA-N	-1	3	320.326	2.007	10	5		DEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2)cc1F	ZINC000129848284	196079997	/nfs/dbraw/zinc/07/99/97/196079997.db2.gz	AZVSMNASRMHLNT-UHFFFAOYSA-N	-1	3	310.306	2.212	10	5		DEBEHM
CCC[C@@H](C)[N-]S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-]	ZINC000050632777	183791622	/nfs/dbraw/zinc/79/16/22/183791622.db2.gz	CRXFPDCUKGDKAM-SECBINFHSA-N	-1	3	301.368	2.103	10	5		DEBEHM
CN(CCC(=O)[O-])CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000262681078	145299859	/nfs/dbraw/zinc/29/98/59/145299859.db2.gz	VYANOGTVIWUKHQ-UHFFFAOYSA-N	-1	3	319.317	2.199	10	5		DEBEHM
O=C([N-]c1nc(-c2ccccn2)cs1)c1n[nH]cc1[N+](=O)[O-]	ZINC000126883113	401711897	/nfs/dbraw/zinc/71/18/97/401711897.db2.gz	BGHLARWSXFQTMZ-UHFFFAOYSA-N	-1	3	316.302	2.089	10	5		DEBEHM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1	ZINC000066327421	402131064	/nfs/dbraw/zinc/13/10/64/402131064.db2.gz	FVFAIGUWXFKOOC-QMMMGPOBSA-N	-1	3	313.360	2.091	10	5		DEBEHM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1	ZINC000160902332	402364875	/nfs/dbraw/zinc/36/48/75/402364875.db2.gz	CQDGZHFJKMUYIX-UHFFFAOYSA-N	-1	3	324.300	2.336	10	5		DEBEHM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000160902332	402364879	/nfs/dbraw/zinc/36/48/79/402364879.db2.gz	CQDGZHFJKMUYIX-UHFFFAOYSA-N	-1	3	324.300	2.336	10	5		DEBEHM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1	ZINC000160902332	402364881	/nfs/dbraw/zinc/36/48/81/402364881.db2.gz	CQDGZHFJKMUYIX-UHFFFAOYSA-N	-1	3	324.300	2.336	10	5		DEBEHM
C[C@H]1CN2CCCC[C@H]2CN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000407990898	405084940	/nfs/dbraw/zinc/08/49/40/405084940.db2.gz	QXYXMMJPSMDHFX-JSGCOSHPSA-N	-1	3	305.378	2.359	10	5		DEBEHM
CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(C)C	ZINC000131200963	196149090	/nfs/dbraw/zinc/14/90/90/196149090.db2.gz	LDQPCBSWKXEMQI-LLVKDONJSA-N	-1	3	304.343	2.447	10	5		DEBEHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(OC)ccc2F)n1	ZINC000191664562	225115488	/nfs/dbraw/zinc/11/54/88/225115488.db2.gz	MMIDXKJLFVWACF-UHFFFAOYSA-N	-1	3	308.269	2.211	10	5		DEBEHM
O=C([N-]C(=O)c1ccnc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000199599828	424884005	/nfs/dbraw/zinc/88/40/05/424884005.db2.gz	ISLYYBIXNOZNMB-UHFFFAOYSA-N	-1	3	305.677	2.213	10	5		DEBEHM
C=COCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000040413913	183062991	/nfs/dbraw/zinc/06/29/91/183062991.db2.gz	SRGFQTFSWFCGGW-UHFFFAOYSA-N	-1	3	320.754	2.077	10	5		DEBEHM
Cc1cc2n[n-]c(I)c2c([N+](=O)[O-])c1	ZINC000014983785	401814640	/nfs/dbraw/zinc/81/46/40/401814640.db2.gz	LUSCPZSEFPJDOQ-UHFFFAOYSA-N	-1	3	303.059	2.384	10	5		DEBEHM
Cc1cc2[n-]nc(I)c2c([N+](=O)[O-])c1	ZINC000014983785	401814643	/nfs/dbraw/zinc/81/46/43/401814643.db2.gz	LUSCPZSEFPJDOQ-UHFFFAOYSA-N	-1	3	303.059	2.384	10	5		DEBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)C(C)C	ZINC000172665705	402668891	/nfs/dbraw/zinc/66/88/91/402668891.db2.gz	RTCLWZNFANJTBU-JTQLQIEISA-N	-1	3	316.379	2.174	10	5		DEBEHM
C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000131753367	196196446	/nfs/dbraw/zinc/19/64/46/196196446.db2.gz	FZCYPACFXHJOTA-JGVFFNPUSA-N	-1	3	304.755	2.183	10	5		DEBEHM
C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000131955135	196213468	/nfs/dbraw/zinc/21/34/68/196213468.db2.gz	SMFUMDZAIVKQAK-WPRPVWTQSA-N	-1	3	302.327	2.201	10	5		DEBEHM
O=[N+]([O-])c1ccc(F)c(S(=O)(=O)[N-]C2CCCCC2)c1	ZINC000083927175	192390619	/nfs/dbraw/zinc/39/06/19/192390619.db2.gz	CKCYFNLRNMIIDL-UHFFFAOYSA-N	-1	3	302.327	2.345	10	5		DEBEHM
O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2	ZINC000262073746	203190562	/nfs/dbraw/zinc/19/05/62/203190562.db2.gz	DGINRRCATOKDNS-XHDPSFHLSA-N	-1	3	308.309	2.421	10	5		DEBEHM
CC(=O)c1ccc(Nc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040628750	183110957	/nfs/dbraw/zinc/11/09/57/183110957.db2.gz	MKSLDRCMYSXLLS-UHFFFAOYSA-N	-1	3	316.321	2.220	10	5		DEBEHM
Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000064241412	184293276	/nfs/dbraw/zinc/29/32/76/184293276.db2.gz	DKZNUHBJUGMZQE-UHFFFAOYSA-N	-1	3	312.372	2.443	10	5		DEBEHM
COc1cc([N+](=O)[O-])ccc1[N-]C(=O)c1nnc(Cl)s1	ZINC000157157018	197166863	/nfs/dbraw/zinc/16/68/63/197166863.db2.gz	WSMGAKKCMRZBIK-UHFFFAOYSA-N	-1	3	314.710	2.361	10	5		DEBEHM
CC(C)CO[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000134150096	196365893	/nfs/dbraw/zinc/36/58/93/196365893.db2.gz	SGPADYAQCGBGDW-UHFFFAOYSA-N	-1	3	308.743	2.114	10	5		DEBEHM
CC(C)C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000184700576	279132560	/nfs/dbraw/zinc/13/25/60/279132560.db2.gz	NPHCRFCNNILZIV-LLVKDONJSA-N	-1	3	309.366	2.007	10	5		DEBEHM
O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])NC1CCCCC1	ZINC000804390715	645764785	/nfs/dbraw/zinc/76/47/85/645764785.db2.gz	AYNLBBYDJIDURR-UHFFFAOYSA-N	-1	3	322.321	2.364	10	5		DEBEHM
CCc1ccc([O-])c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1	ZINC000191877443	529693188	/nfs/dbraw/zinc/69/31/88/529693188.db2.gz	FBNGGINYIRVASZ-UHFFFAOYSA-N	-1	3	304.306	2.332	10	5		DEBEHM
CS(=O)(=O)c1cccc(Oc2cccc([O-])c2)c1[N+](=O)[O-]	ZINC000149264594	186048530	/nfs/dbraw/zinc/04/85/30/186048530.db2.gz	BZTCZZKNNDNMFG-UHFFFAOYSA-N	-1	3	309.299	2.496	10	5		DEBEHM
CCNc1ncnc([N-]c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000040596335	183107130	/nfs/dbraw/zinc/10/71/30/183107130.db2.gz	AAZYLSWNNKHCLL-UHFFFAOYSA-N	-1	3	304.266	2.468	10	5		DEBEHM
CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NCC)s1	ZINC000157540086	197195116	/nfs/dbraw/zinc/19/51/16/197195116.db2.gz	OGVGDYGCEUYCCX-UHFFFAOYSA-N	-1	3	307.397	2.167	10	5		DEBEHM
CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000137110171	401979404	/nfs/dbraw/zinc/97/94/04/401979404.db2.gz	YYBIHILPSCWVBY-LBPRGKRZSA-N	-1	3	309.366	2.007	10	5		DEBEHM
C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000131955331	196213766	/nfs/dbraw/zinc/21/37/66/196213766.db2.gz	SMFUMDZAIVKQAK-PSASIEDQSA-N	-1	3	302.327	2.201	10	5		DEBEHM
CC[C@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000132572839	196267372	/nfs/dbraw/zinc/26/73/72/196267372.db2.gz	WKHWBLRONPVFGY-MRVPVSSYSA-N	-1	3	322.383	2.154	10	5		DEBEHM
CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	ZINC000088311764	185245245	/nfs/dbraw/zinc/24/52/45/185245245.db2.gz	SJZKBDKFHGNRJH-NXEZZACHSA-N	-1	3	315.395	2.280	10	5		DEBEHM
COC(=O)c1cncc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000179291479	282223431	/nfs/dbraw/zinc/22/34/31/282223431.db2.gz	FPRNXIXUSWWAOM-UHFFFAOYSA-N	-1	3	307.287	2.090	10	5		DEBEHM
COc1cc(C=C([O-])c2cc(Cl)cc([N+](=O)[O-])c2)ncn1	ZINC000138607178	186018002	/nfs/dbraw/zinc/01/80/02/186018002.db2.gz	GLSANDOHSJBEHC-UHFFFAOYSA-N	-1	3	307.693	2.472	10	5		DEBEHM
CNc1sc(S(=O)(=O)[N-][C@@H](C)C2CCC2)cc1[N+](=O)[O-]	ZINC000138104557	186014179	/nfs/dbraw/zinc/01/41/79/186014179.db2.gz	ZDNAXEHGBCVTGF-ZETCQYMHSA-N	-1	3	319.408	2.165	10	5		DEBEHM
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C2CCC2)c1	ZINC000157176816	197167417	/nfs/dbraw/zinc/16/74/17/197167417.db2.gz	UGWQEAANVRQHQB-SECBINFHSA-N	-1	3	313.379	2.103	10	5		DEBEHM
CCCc1[nH]nc(C(=O)[N-]c2ncc(C(C)=O)s2)c1[N+](=O)[O-]	ZINC000119141224	401928224	/nfs/dbraw/zinc/92/82/24/401928224.db2.gz	ZJXQTKNFHHCJEM-UHFFFAOYSA-N	-1	3	323.334	2.182	10	5		DEBEHM
CSC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131229530	196152321	/nfs/dbraw/zinc/15/23/21/196152321.db2.gz	BTCNASJVYBEMTL-QMMMGPOBSA-N	-1	3	322.383	2.011	10	5		DEBEHM
CCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1	ZINC000157539032	197195813	/nfs/dbraw/zinc/19/58/13/197195813.db2.gz	MJADGKGBFMKYPX-SSDOTTSWSA-N	-1	3	307.397	2.165	10	5		DEBEHM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1	ZINC000064242798	184293293	/nfs/dbraw/zinc/29/32/93/184293293.db2.gz	ZDOFLNIJMYUABC-MRVPVSSYSA-N	-1	3	313.360	2.091	10	5		DEBEHM
CCCCCC[N-]S(=O)(=O)c1cccc(NC)c1[N+](=O)[O-]	ZINC000127017681	195847811	/nfs/dbraw/zinc/84/78/11/195847811.db2.gz	IAIIKGMSXFTYAC-UHFFFAOYSA-N	-1	3	315.395	2.495	10	5		DEBEHM
CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000524836550	406463805	/nfs/dbraw/zinc/46/38/05/406463805.db2.gz	XRBAIRLKHGGSCM-UHFFFAOYSA-N	-1	3	318.289	2.055	10	5		DEBEHM
CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000524836550	406463808	/nfs/dbraw/zinc/46/38/08/406463808.db2.gz	XRBAIRLKHGGSCM-UHFFFAOYSA-N	-1	3	318.289	2.055	10	5		DEBEHM
O=C([N-]c1cc(Cl)ccc1[N+](=O)[O-])c1cc2n(n1)CCCO2	ZINC000090626715	185307518	/nfs/dbraw/zinc/30/75/18/185307518.db2.gz	FPUULIZWMLRXBO-UHFFFAOYSA-N	-1	3	322.708	2.480	10	5		DEBEHM
CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000127009241	185912236	/nfs/dbraw/zinc/91/22/36/185912236.db2.gz	UFEHULRSOOVVMH-SNVBAGLBSA-N	-1	3	315.395	2.280	10	5		DEBEHM
CCc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]1	ZINC000102784867	402172223	/nfs/dbraw/zinc/17/22/23/402172223.db2.gz	IJRZOBFDSPFEOO-UHFFFAOYSA-N	-1	3	300.278	2.009	10	5		DEBEHM
CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000172666266	402668959	/nfs/dbraw/zinc/66/89/59/402668959.db2.gz	OFOAJUMNGGAHKX-SECBINFHSA-N	-1	3	304.343	2.304	10	5		DEBEHM
CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1	ZINC000175657016	402823930	/nfs/dbraw/zinc/82/39/30/402823930.db2.gz	DFSJOGLGHKXXJC-UHFFFAOYSA-N	-1	3	314.363	2.072	10	5		DEBEHM
COc1cc(CNC[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])cc1[O-]	ZINC000189725532	294986208	/nfs/dbraw/zinc/98/62/08/294986208.db2.gz	SOTUXQUAXUBSQS-LLVKDONJSA-N	-1	3	310.350	2.356	10	5		DEBEHM
CCC[C@@H](CC)[N-]S(=O)(=O)c1cccc(N)c1[N+](=O)[O-]	ZINC000126936263	185905969	/nfs/dbraw/zinc/90/59/69/185905969.db2.gz	NIDZRXPCTKLZNX-SECBINFHSA-N	-1	3	301.368	2.034	10	5		DEBEHM
CCNc1sc(S(=O)(=O)[N-]C(C)(C)C)cc1[N+](=O)[O-]	ZINC000157545639	197196757	/nfs/dbraw/zinc/19/67/57/197196757.db2.gz	FJLCCXJKSQZOLP-UHFFFAOYSA-N	-1	3	307.397	2.165	10	5		DEBEHM
CCNc1sc(S(=O)(=O)[N-][C@H](C)CC)cc1[N+](=O)[O-]	ZINC000157547899	197196772	/nfs/dbraw/zinc/19/67/72/197196772.db2.gz	SSJHYMZWVGNCDM-SSDOTTSWSA-N	-1	3	307.397	2.165	10	5		DEBEHM