smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(N)=O	ZINC000107311449	415663859	/nfs/dbraw/zinc/66/38/59/415663859.db2.gz	RPNJXLSTPLFSJT-QMMMGPOBSA-N	-1	1	307.353	0.445	10	5		DCBEMM
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000176282808	282100132	/nfs/dbraw/zinc/10/01/32/282100132.db2.gz	OLGFKKBTODJBFG-JTQLQIEISA-N	-1	1	318.293	0.860	10	5		DCBEMM
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187172958	282100493	/nfs/dbraw/zinc/10/04/93/282100493.db2.gz	MCIHYSZFUVSEAE-VIFPVBQESA-N	-1	1	318.293	0.860	10	5		DCBEMM
C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000183184722	396264976	/nfs/dbraw/zinc/26/49/76/396264976.db2.gz	GZGYULAIGHIMNT-ZWBDZOEQSA-N	-1	1	312.394	0.702	10	5		DCBEMM
Cn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nn1	ZINC000611934915	396951361	/nfs/dbraw/zinc/95/13/61/396951361.db2.gz	IKXMVHBIKZWMDW-UHFFFAOYSA-N	-1	1	315.286	0.341	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1	ZINC000285114305	536468819	/nfs/dbraw/zinc/46/88/19/536468819.db2.gz	VAEQHAWWJDETCO-YPMHNXCESA-N	-1	1	321.333	0.846	10	5		DCBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@]12C[C@H]1COC2	ZINC000718033712	685304748	/nfs/dbraw/zinc/30/47/48/685304748.db2.gz	VROYPNQXCPKPCA-CPCISQLKSA-N	-1	1	302.283	0.801	10	5		DCBEMM
O=C1NCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000594791151	396515553	/nfs/dbraw/zinc/51/55/53/396515553.db2.gz	LBBMPGIAUBUFKL-ZETCQYMHSA-N	-1	1	319.726	0.415	10	5		DCBEMM
C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000195480458	416326660	/nfs/dbraw/zinc/32/66/60/416326660.db2.gz	ZQALXSFLXZTTEK-MUWHJKNJSA-N	-1	1	319.364	0.459	10	5		DCBEMM
C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000195480455	416326681	/nfs/dbraw/zinc/32/66/81/416326681.db2.gz	ZQALXSFLXZTTEK-IMTBSYHQSA-N	-1	1	319.364	0.459	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@@H]2C1	ZINC000285828624	290168410	/nfs/dbraw/zinc/16/84/10/290168410.db2.gz	PHFVZQQGDRBYMD-OLZOCXBDSA-N	-1	1	321.333	0.846	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@@H]2C1	ZINC000285716790	290235026	/nfs/dbraw/zinc/23/50/26/290235026.db2.gz	JOBWVLSVIFBZKT-TZMCWYRMSA-N	-1	1	321.333	0.846	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1	ZINC000285114296	536469232	/nfs/dbraw/zinc/46/92/32/536469232.db2.gz	VAEQHAWWJDETCO-AAEUAGOBSA-N	-1	1	321.333	0.846	10	5		DCBEMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000178779115	416172012	/nfs/dbraw/zinc/17/20/12/416172012.db2.gz	AQRRXBQLXGJXSF-USUYBEQLSA-N	-1	1	307.306	0.928	10	5		DCBEMM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)F	ZINC000228410824	545945669	/nfs/dbraw/zinc/94/56/69/545945669.db2.gz	NUMSEWVXOPPUJS-UHFFFAOYSA-N	-1	1	324.261	0.925	10	5		DCBEMM
COc1cc(C(=O)NC2(c3nn[n-]n3)CC2)cc([N+](=O)[O-])c1C	ZINC000362173507	262006793	/nfs/dbraw/zinc/00/67/93/262006793.db2.gz	NCZAMVHQFMQHSO-UHFFFAOYSA-N	-1	1	318.293	0.844	10	5		DCBEMM
C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000183184672	396265010	/nfs/dbraw/zinc/26/50/10/396265010.db2.gz	GZGYULAIGHIMNT-HQRLLJBISA-N	-1	1	312.394	0.702	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1	ZINC000285275525	536479585	/nfs/dbraw/zinc/47/95/85/536479585.db2.gz	AWZLOEYESJWELE-TZMCWYRMSA-N	-1	1	321.333	0.846	10	5		DCBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000185717383	296283484	/nfs/dbraw/zinc/28/34/84/296283484.db2.gz	LBYFKHCOIWOTJC-JTQLQIEISA-N	-1	1	321.211	0.835	10	5		DCBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCOCC2)s1	ZINC000066327149	158036593	/nfs/dbraw/zinc/03/65/93/158036593.db2.gz	KKWRBZOPGZURFH-UHFFFAOYSA-N	-1	1	321.380	0.267	10	5		DCBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)s1	ZINC000124607076	286964151	/nfs/dbraw/zinc/96/41/51/286964151.db2.gz	JDZPCPVPBUXVPM-JGVFFNPUSA-N	-1	1	304.349	0.872	10	5		DCBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3c2CCNC3)cc1	ZINC000170270505	664575412	/nfs/dbraw/zinc/57/54/12/664575412.db2.gz	XCXPWKNOJWDVLD-UHFFFAOYSA-N	-1	1	323.334	0.764	10	5		DCBEMM
O=C(N[C@@H]1CCCn2ncnc21)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193682439	284049862	/nfs/dbraw/zinc/04/98/62/284049862.db2.gz	RCTDQCCYKHEPSR-MRVPVSSYSA-N	-1	1	304.266	0.552	10	5		DCBEMM
O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000016905497	182064692	/nfs/dbraw/zinc/06/46/92/182064692.db2.gz	GMQADRIGKDXWER-MRVPVSSYSA-N	-1	1	311.275	0.981	10	5		DCBEMM
CN1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1=O	ZINC000160087498	291237511	/nfs/dbraw/zinc/23/75/11/291237511.db2.gz	OMEJIXDJLWCUMV-ZETCQYMHSA-N	-1	1	319.364	0.555	10	5		DCBEMM
CC(C)NC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064244114	158032635	/nfs/dbraw/zinc/03/26/35/158032635.db2.gz	VVFBZXPOCZGFGL-UHFFFAOYSA-N	-1	1	307.353	0.459	10	5		DCBEMM
CCCNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000098117535	158127286	/nfs/dbraw/zinc/12/72/86/158127286.db2.gz	YFXWSGAFDMZUSY-UHFFFAOYSA-N	-1	1	307.353	0.461	10	5		DCBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCn2ccnn2)s1	ZINC000183159996	396264104	/nfs/dbraw/zinc/26/41/04/396264104.db2.gz	FCUROAXVMZTXFR-UHFFFAOYSA-N	-1	1	317.352	0.616	10	5		DCBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc[nH]n1	ZINC000166361238	1183379909	/nfs/dbraw/zinc/37/99/09/1183379909.db2.gz	BVQODWQHKCKVPD-UHFFFAOYSA-N	-1	1	300.271	0.936	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1	ZINC000408093011	283155555	/nfs/dbraw/zinc/15/55/55/283155555.db2.gz	MTRPRXGHYHAHKQ-UONOGXRCSA-N	-1	1	321.333	0.846	10	5		DCBEMM
COc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CC1	ZINC000357097142	416034706	/nfs/dbraw/zinc/03/47/06/416034706.db2.gz	PDXYQYBXNJCPNF-UHFFFAOYSA-N	-1	1	304.266	0.536	10	5		DCBEMM
Nc1nnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000020202108	182197296	/nfs/dbraw/zinc/19/72/96/182197296.db2.gz	KWRLUTVESQDAFB-UHFFFAOYSA-N	-1	1	315.336	0.507	10	5		DCBEMM
O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066000240	158034273	/nfs/dbraw/zinc/03/42/73/158034273.db2.gz	BPKLASCIXVYABP-ZETCQYMHSA-N	-1	1	319.364	0.603	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@@H]2C1	ZINC000285828620	290236069	/nfs/dbraw/zinc/23/60/69/290236069.db2.gz	PHFVZQQGDRBYMD-CHWSQXEVSA-N	-1	1	321.333	0.846	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1	ZINC000408093012	417140156	/nfs/dbraw/zinc/14/01/56/417140156.db2.gz	MTRPRXGHYHAHKQ-ZIAGYGMSSA-N	-1	1	321.333	0.846	10	5		DCBEMM
Cc1cc(OCC(=O)NC2(c3nn[n-]n3)CC2)ccc1[N+](=O)[O-]	ZINC000435853021	416540761	/nfs/dbraw/zinc/54/07/61/416540761.db2.gz	ZZDMYFJPVUNBIT-UHFFFAOYSA-N	-1	1	318.293	0.601	10	5		DCBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000193733835	395778083	/nfs/dbraw/zinc/77/80/83/395778083.db2.gz	IFJFYTNOIBLSBX-USUYBEQLSA-N	-1	1	307.306	0.928	10	5		DCBEMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@](O)(C(F)(F)F)C1	ZINC000156769122	526630369	/nfs/dbraw/zinc/63/03/69/526630369.db2.gz	QQIGOEZIIIRNHK-SNVBAGLBSA-N	-1	1	321.211	0.835	10	5		DCBEMM
C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000183184704	396264516	/nfs/dbraw/zinc/26/45/16/396264516.db2.gz	GZGYULAIGHIMNT-QVHKOIDPSA-N	-1	1	312.394	0.702	10	5		DCBEMM
CN(C)C(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000194408560	395796715	/nfs/dbraw/zinc/79/67/15/395796715.db2.gz	LADFFVUPJBJROB-UHFFFAOYSA-N	-1	1	321.380	0.803	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1	ZINC000408093009	160034171	/nfs/dbraw/zinc/03/41/71/160034171.db2.gz	MTRPRXGHYHAHKQ-KBPBESRZSA-N	-1	1	321.333	0.846	10	5		DCBEMM
CC(=O)N1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1	ZINC000552352650	288273360	/nfs/dbraw/zinc/27/33/60/288273360.db2.gz	OLZMFVJIZGNOCR-SECBINFHSA-N	-1	1	308.294	0.294	10	5		DCBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1O	ZINC000178650828	773944534	/nfs/dbraw/zinc/94/45/34/773944534.db2.gz	RJCFTIVOCJXRRN-IUCAKERBSA-N	-1	1	304.299	0.926	10	5		DCBEMM
O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066327742	158036662	/nfs/dbraw/zinc/03/66/62/158036662.db2.gz	BPKLASCIXVYABP-SSDOTTSWSA-N	-1	1	319.364	0.603	10	5		DCBEMM
CN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O	ZINC000192659514	416310301	/nfs/dbraw/zinc/31/03/01/416310301.db2.gz	PSZVMICKKVKFBE-ZETCQYMHSA-N	-1	1	319.364	0.555	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1	ZINC000285114302	536480055	/nfs/dbraw/zinc/48/00/55/536480055.db2.gz	VAEQHAWWJDETCO-WCQYABFASA-N	-1	1	321.333	0.846	10	5		DCBEMM
C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000195480451	296573500	/nfs/dbraw/zinc/57/35/00/296573500.db2.gz	ZQALXSFLXZTTEK-HZGVNTEJSA-N	-1	1	319.364	0.459	10	5		DCBEMM
COc1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccc1[N+](=O)[O-]	ZINC000357039353	416025967	/nfs/dbraw/zinc/02/59/67/416025967.db2.gz	BOWBWNVUABHDOC-UHFFFAOYSA-N	-1	1	304.266	0.536	10	5		DCBEMM
CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000540739361	287905456	/nfs/dbraw/zinc/90/54/56/287905456.db2.gz	SMSVOQGVSRAPFF-UHFFFAOYSA-N	-1	1	303.340	0.818	10	5		DCBEMM
O=C1NCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000051156567	658832108	/nfs/dbraw/zinc/83/21/08/658832108.db2.gz	ALUFAPUGGMENCW-MRVPVSSYSA-N	-1	1	317.298	0.291	10	5		DCBEMM
O=C(N[C@@H]1CCc2ncnn2C1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000112725218	395823340	/nfs/dbraw/zinc/82/33/40/395823340.db2.gz	JGYMVJHEBUTODK-SSDOTTSWSA-N	-1	1	304.266	0.032	10	5		DCBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cncn2)C1	ZINC000187076690	396363174	/nfs/dbraw/zinc/36/31/74/396363174.db2.gz	SMHCLORJDJVQHF-SNVBAGLBSA-N	-1	1	318.293	0.764	10	5		DCBEMM
COC(=O)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157110784	158351609	/nfs/dbraw/zinc/35/16/09/158351609.db2.gz	WXWFTWIXDLTGDV-UHFFFAOYSA-N	-1	1	320.298	0.965	10	5		DCBEMM
CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000188442984	158545077	/nfs/dbraw/zinc/54/50/77/158545077.db2.gz	MICKPMFHTDALRA-SSDOTTSWSA-N	-1	1	321.380	0.801	10	5		DCBEMM
CN(CC(=O)NC1(c2nn[n-]n2)CC1)c1ccccc1[N+](=O)[O-]	ZINC000357065567	416028747	/nfs/dbraw/zinc/02/87/47/416028747.db2.gz	FVDAFFHPKNVSIT-UHFFFAOYSA-N	-1	1	317.309	0.350	10	5		DCBEMM
CCC(CC)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(N)=O	ZINC000101923192	395768315	/nfs/dbraw/zinc/76/83/15/395768315.db2.gz	VPVLPYQQNBRSKF-UHFFFAOYSA-N	-1	1	321.380	0.979	10	5		DCBEMM
O=C(Cc1nn[n-]n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000408494137	160119840	/nfs/dbraw/zinc/11/98/40/160119840.db2.gz	BWTGRGXGXIXUAU-UHFFFAOYSA-N	-1	1	306.238	0.060	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1	ZINC000285275520	536468747	/nfs/dbraw/zinc/46/87/47/536468747.db2.gz	AWZLOEYESJWELE-OCCSQVGLSA-N	-1	1	321.333	0.846	10	5		DCBEMM
O=C(N[C@H]1CCc2ncnn2C1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000112725219	415715538	/nfs/dbraw/zinc/71/55/38/415715538.db2.gz	JGYMVJHEBUTODK-ZETCQYMHSA-N	-1	1	304.266	0.032	10	5		DCBEMM
CNc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1[N+](=O)[O-]	ZINC000519576164	416916084	/nfs/dbraw/zinc/91/60/84/416916084.db2.gz	OCVRNHHWJIWPOU-UHFFFAOYSA-N	-1	1	303.282	0.569	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@H]2C1	ZINC000285275511	536479596	/nfs/dbraw/zinc/47/95/96/536479596.db2.gz	AWZLOEYESJWELE-GXTWGEPZSA-N	-1	1	321.333	0.846	10	5		DCBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ncc[nH]1	ZINC000126533677	1177247523	/nfs/dbraw/zinc/24/75/23/1177247523.db2.gz	MIWLLVNJXOVQBK-UHFFFAOYSA-N	-1	1	300.271	0.936	10	5		DCBEMM
O=C(N[C@H]1CCc2ncnn2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193579657	395773180	/nfs/dbraw/zinc/77/31/80/395773180.db2.gz	OSBYUKDRUQHVIM-QMMMGPOBSA-N	-1	1	304.266	0.032	10	5		DCBEMM
Cn1nccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157117594	664412971	/nfs/dbraw/zinc/41/29/71/664412971.db2.gz	BKZJVHSHYSIVTJ-UHFFFAOYSA-N	-1	1	314.298	0.946	10	5		DCBEMM
CCN(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000185987025	396338165	/nfs/dbraw/zinc/33/81/65/396338165.db2.gz	WCSFKLPBNLSFCM-UHFFFAOYSA-N	-1	1	307.353	0.413	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@H]2C1	ZINC000285716776	290236100	/nfs/dbraw/zinc/23/61/00/290236100.db2.gz	JOBWVLSVIFBZKT-GXTWGEPZSA-N	-1	1	321.333	0.846	10	5		DCBEMM
CC(=O)N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1	ZINC000590374748	396763885	/nfs/dbraw/zinc/76/38/85/396763885.db2.gz	HOQLEGDNRHCEET-VIFPVBQESA-N	-1	1	308.294	0.294	10	5		DCBEMM
CCC(=O)N[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1	ZINC000445177499	271745950	/nfs/dbraw/zinc/74/59/50/271745950.db2.gz	GUSYYGNKFAKYRK-SNVBAGLBSA-N	-1	1	322.321	0.826	10	5		DCBEMM
CCC(=O)N[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1	ZINC000445177498	271746275	/nfs/dbraw/zinc/74/62/75/271746275.db2.gz	GUSYYGNKFAKYRK-JTQLQIEISA-N	-1	1	322.321	0.826	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@H]2C1	ZINC000285828628	290236157	/nfs/dbraw/zinc/23/61/57/290236157.db2.gz	PHFVZQQGDRBYMD-QWHCGFSZSA-N	-1	1	321.333	0.846	10	5		DCBEMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000156769255	296187287	/nfs/dbraw/zinc/18/72/87/296187287.db2.gz	QQIGOEZIIIRNHK-JTQLQIEISA-N	-1	1	321.211	0.835	10	5		DCBEMM
CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(N)=O	ZINC000292178645	396534657	/nfs/dbraw/zinc/53/46/57/396534657.db2.gz	QAJWCACXFWCLDD-ZETCQYMHSA-N	-1	1	305.287	0.276	10	5		DCBEMM
COc1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1[N+](=O)[O-]	ZINC000444383371	416837524	/nfs/dbraw/zinc/83/75/24/416837524.db2.gz	QMIAVNYVZPEQMJ-UHFFFAOYSA-N	-1	1	304.266	0.536	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1	ZINC000285834237	290167968	/nfs/dbraw/zinc/16/79/68/290167968.db2.gz	POBHXXSRIFJTFP-JSGCOSHPSA-N	-1	1	321.333	0.846	10	5		DCBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](n2cncn2)C1	ZINC000187076669	396362895	/nfs/dbraw/zinc/36/28/95/396362895.db2.gz	SMHCLORJDJVQHF-JTQLQIEISA-N	-1	1	318.293	0.764	10	5		DCBEMM
O=C([O-])Cc1c[nH]n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O	ZINC000536955130	416550962	/nfs/dbraw/zinc/55/09/62/416550962.db2.gz	UJLHGXYDSLQLOC-UHFFFAOYSA-N	-1	1	308.206	0.609	10	5		DCBEMM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc[nH]n1	ZINC000183200701	396265032	/nfs/dbraw/zinc/26/50/32/396265032.db2.gz	AMPSSOORYRWNSS-RXMQYKEDSA-N	-1	1	303.325	0.814	10	5		DCBEMM
CN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O	ZINC000172617177	341802370	/nfs/dbraw/zinc/80/23/70/341802370.db2.gz	BZGDLKIULPTPJE-LURJTMIESA-N	-1	1	305.337	0.165	10	5		DCBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@@H](CO)C1	ZINC000707546157	939273679	/nfs/dbraw/zinc/27/36/79/939273679.db2.gz	MPGQDCDERUXTEM-OCAPTIKFSA-N	-1	1	304.299	0.783	10	5		DCBEMM
Cc1c(CC(=O)NC2(c3nn[n-]n3)CC2)cccc1[N+](=O)[O-]	ZINC000357078378	416031965	/nfs/dbraw/zinc/03/19/65/416031965.db2.gz	OWUAYLAAAJMTOX-UHFFFAOYSA-N	-1	1	302.294	0.764	10	5		DCBEMM
CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000530408817	287747552	/nfs/dbraw/zinc/74/75/52/287747552.db2.gz	CNMKLXIIMNCGGS-IUCAKERBSA-N	-1	1	301.324	0.836	10	5		DCBEMM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(N)=O	ZINC000107311452	415664346	/nfs/dbraw/zinc/66/43/46/415664346.db2.gz	RPNJXLSTPLFSJT-MRVPVSSYSA-N	-1	1	307.353	0.445	10	5		DCBEMM
CN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O	ZINC000192659530	416310505	/nfs/dbraw/zinc/31/05/05/416310505.db2.gz	PSZVMICKKVKFBE-SSDOTTSWSA-N	-1	1	319.364	0.555	10	5		DCBEMM
O=C(CSc1nc(O)cc(=O)[n-]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000005715352	181276012	/nfs/dbraw/zinc/27/60/12/181276012.db2.gz	JYHUJLOEQJUPBN-UHFFFAOYSA-N	-1	1	322.302	0.669	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1	ZINC000408093010	160034152	/nfs/dbraw/zinc/03/41/52/160034152.db2.gz	MTRPRXGHYHAHKQ-KGLIPLIRSA-N	-1	1	321.333	0.846	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@H]2C1	ZINC000285828632	290168071	/nfs/dbraw/zinc/16/80/71/290168071.db2.gz	PHFVZQQGDRBYMD-STQMWFEESA-N	-1	1	321.333	0.846	10	5		DCBEMM
C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000183184689	396264826	/nfs/dbraw/zinc/26/48/26/396264826.db2.gz	GZGYULAIGHIMNT-DDNLTXGXSA-N	-1	1	312.394	0.702	10	5		DCBEMM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc[nH]n1	ZINC000183200685	396265006	/nfs/dbraw/zinc/26/50/06/396265006.db2.gz	AMPSSOORYRWNSS-YFKPBYRVSA-N	-1	1	303.325	0.814	10	5		DCBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1c[nH]cn1	ZINC000126536865	1177247290	/nfs/dbraw/zinc/24/72/90/1177247290.db2.gz	BKYZNMLJBGPYBF-UHFFFAOYSA-N	-1	1	300.271	0.936	10	5		DCBEMM
CN1CCO[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000171094172	158379741	/nfs/dbraw/zinc/37/97/41/158379741.db2.gz	LVILFFVPVYGWBD-QMMMGPOBSA-N	-1	1	321.380	0.265	10	5		DCBEMM
O=C1NCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000594791150	396515613	/nfs/dbraw/zinc/51/56/13/396515613.db2.gz	LBBMPGIAUBUFKL-SSDOTTSWSA-N	-1	1	319.726	0.415	10	5		DCBEMM
CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000530408818	396577175	/nfs/dbraw/zinc/57/71/75/396577175.db2.gz	CNMKLXIIMNCGGS-RKDXNWHRSA-N	-1	1	301.324	0.836	10	5		DCBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1CC(O)C1	ZINC000126537581	668622202	/nfs/dbraw/zinc/62/22/02/668622202.db2.gz	OOFRLNWQLRWNTR-UHFFFAOYSA-N	-1	1	304.299	0.783	10	5		DCBEMM
CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C	ZINC000178924334	416178117	/nfs/dbraw/zinc/17/81/17/416178117.db2.gz	ROWAFTUJTDZSME-SECBINFHSA-N	-1	1	321.380	0.705	10	5		DCBEMM
COc1ccc(CC(=O)NC2(c3nn[n-]n3)CC2)cc1[N+](=O)[O-]	ZINC000564769384	396867228	/nfs/dbraw/zinc/86/72/28/396867228.db2.gz	JMLWRTCQAZHGEV-UHFFFAOYSA-N	-1	1	318.293	0.465	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1	ZINC000285834241	290167834	/nfs/dbraw/zinc/16/78/34/290167834.db2.gz	POBHXXSRIFJTFP-OCCSQVGLSA-N	-1	1	321.333	0.846	10	5		DCBEMM
CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000188443006	396382434	/nfs/dbraw/zinc/38/24/34/396382434.db2.gz	MICKPMFHTDALRA-ZETCQYMHSA-N	-1	1	321.380	0.801	10	5		DCBEMM
CC(=O)N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1	ZINC000590374747	396764430	/nfs/dbraw/zinc/76/44/30/396764430.db2.gz	HOQLEGDNRHCEET-SECBINFHSA-N	-1	1	308.294	0.294	10	5		DCBEMM
COc1c(C(=O)NC2(c3nn[n-]n3)CC2)cccc1[N+](=O)[O-]	ZINC000356928255	416007605	/nfs/dbraw/zinc/00/76/05/416007605.db2.gz	IQDHFORDVFBLAZ-UHFFFAOYSA-N	-1	1	304.266	0.536	10	5		DCBEMM
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187172975	279137112	/nfs/dbraw/zinc/13/71/12/279137112.db2.gz	MCIHYSZFUVSEAE-SECBINFHSA-N	-1	1	318.293	0.860	10	5		DCBEMM
CC(=O)N1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1	ZINC000552352651	288273446	/nfs/dbraw/zinc/27/34/46/288273446.db2.gz	OLZMFVJIZGNOCR-VIFPVBQESA-N	-1	1	308.294	0.294	10	5		DCBEMM
C[S@@](=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000116901555	525367092	/nfs/dbraw/zinc/36/70/92/525367092.db2.gz	WTDNHHPEMJSJHS-KRWDZBQOSA-N	-1	1	312.394	0.703	10	5		DCBEMM
C[S@](=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000116901557	525384260	/nfs/dbraw/zinc/38/42/60/525384260.db2.gz	WTDNHHPEMJSJHS-QGZVFWFLSA-N	-1	1	312.394	0.703	10	5		DCBEMM
O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000016905496	182064580	/nfs/dbraw/zinc/06/45/80/182064580.db2.gz	GMQADRIGKDXWER-QMMMGPOBSA-N	-1	1	311.275	0.981	10	5		DCBEMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(C2CC2)C(=O)C1	ZINC000610497485	397826986	/nfs/dbraw/zinc/82/69/86/397826986.db2.gz	ISVNEXBZKHOIID-UHFFFAOYSA-N	-1	1	306.278	0.142	10	5		DCBEMM
CN1CCO[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000171094163	158379848	/nfs/dbraw/zinc/37/98/48/158379848.db2.gz	LVILFFVPVYGWBD-MRVPVSSYSA-N	-1	1	321.380	0.265	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1	ZINC000285834234	290235705	/nfs/dbraw/zinc/23/57/05/290235705.db2.gz	POBHXXSRIFJTFP-GXTWGEPZSA-N	-1	1	321.333	0.846	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1	ZINC000285114299	536480001	/nfs/dbraw/zinc/48/00/01/536480001.db2.gz	VAEQHAWWJDETCO-DGCLKSJQSA-N	-1	1	321.333	0.846	10	5		DCBEMM
Nc1nnc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000020201318	182196844	/nfs/dbraw/zinc/19/68/44/182196844.db2.gz	SEFOYIQATXRUHG-UHFFFAOYSA-N	-1	1	315.336	0.507	10	5		DCBEMM
CCN(CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000184342302	261118551	/nfs/dbraw/zinc/11/85/51/261118551.db2.gz	FLVGAGNKZWONMS-UHFFFAOYSA-N	-1	1	323.396	0.249	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@H]2C1	ZINC000285275516	536468727	/nfs/dbraw/zinc/46/87/27/536468727.db2.gz	AWZLOEYESJWELE-JSGCOSHPSA-N	-1	1	321.333	0.846	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@@H]2C1	ZINC000285716785	290168034	/nfs/dbraw/zinc/16/80/34/290168034.db2.gz	JOBWVLSVIFBZKT-OCCSQVGLSA-N	-1	1	321.333	0.846	10	5		DCBEMM
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000176282826	293522307	/nfs/dbraw/zinc/52/23/07/293522307.db2.gz	OLGFKKBTODJBFG-SNVBAGLBSA-N	-1	1	318.293	0.860	10	5		DCBEMM
Cc1noc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000101575507	395765522	/nfs/dbraw/zinc/76/55/22/395765522.db2.gz	IWRJMVXZXPRSTM-UHFFFAOYSA-N	-1	1	318.336	0.869	10	5		DCBEMM
CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C	ZINC000178924322	416177251	/nfs/dbraw/zinc/17/72/51/416177251.db2.gz	ROWAFTUJTDZSME-VIFPVBQESA-N	-1	1	321.380	0.705	10	5		DCBEMM
CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000530408816	287747643	/nfs/dbraw/zinc/74/76/43/287747643.db2.gz	CNMKLXIIMNCGGS-DTWKUNHWSA-N	-1	1	301.324	0.836	10	5		DCBEMM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)N(C)C	ZINC000066333463	158036464	/nfs/dbraw/zinc/03/64/64/158036464.db2.gz	NFHZILVFGGWHOY-LURJTMIESA-N	-1	1	307.353	0.411	10	5		DCBEMM
O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NCC1CC1	ZINC000179914498	416193644	/nfs/dbraw/zinc/19/36/44/416193644.db2.gz	CAKVDZKQSQPKCO-UHFFFAOYSA-N	-1	1	319.364	0.461	10	5		DCBEMM
CN1CC[C@@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@H]2C1	ZINC000285716780	536469011	/nfs/dbraw/zinc/46/90/11/536469011.db2.gz	JOBWVLSVIFBZKT-JSGCOSHPSA-N	-1	1	321.333	0.846	10	5		DCBEMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COC[C@@H]1O	ZINC000323463468	1190445681	/nfs/dbraw/zinc/44/56/81/1190445681.db2.gz	HWNCBTAIBSPGPJ-APPZFPTMSA-N	-1	1	322.726	0.286	10	5		DCBEMM
O=C(NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1	ZINC000064243792	158032737	/nfs/dbraw/zinc/03/27/37/158032737.db2.gz	XQFAXDKSUWCFFI-UHFFFAOYSA-N	-1	1	319.364	0.461	10	5		DCBEMM
O=C1CC[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])N1	ZINC000157219888	658734288	/nfs/dbraw/zinc/73/42/88/658734288.db2.gz	VJRXCMGVJQYKPN-ZETCQYMHSA-N	-1	1	317.298	0.291	10	5		DCBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@](O)(C(F)(F)F)C1	ZINC000185717366	296283452	/nfs/dbraw/zinc/28/34/52/296283452.db2.gz	LBYFKHCOIWOTJC-SNVBAGLBSA-N	-1	1	321.211	0.835	10	5		DCBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3c2CNCC3)cc1	ZINC000170270507	664575471	/nfs/dbraw/zinc/57/54/71/664575471.db2.gz	PFUSLTANIKJWJS-UHFFFAOYSA-N	-1	1	323.334	0.764	10	5		DCBEMM
CC(C)C(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064243780	158032888	/nfs/dbraw/zinc/03/28/88/158032888.db2.gz	WRNLIKKTIVWHSW-UHFFFAOYSA-N	-1	1	321.380	0.707	10	5		DCBEMM
CN1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1=O	ZINC000160087357	291237549	/nfs/dbraw/zinc/23/75/49/291237549.db2.gz	OMEJIXDJLWCUMV-SSDOTTSWSA-N	-1	1	319.364	0.555	10	5		DCBEMM
CN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1	ZINC000285834245	290235888	/nfs/dbraw/zinc/23/58/88/290235888.db2.gz	POBHXXSRIFJTFP-TZMCWYRMSA-N	-1	1	321.333	0.846	10	5		DCBEMM
O=C([O-])/C=C\CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000313567761	659302537	/nfs/dbraw/zinc/30/25/37/659302537.db2.gz	VLELXRBVTFNDRD-DJWKRKHSSA-N	-1	1	304.255	0.653	10	5		DCBEMM
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)c1CC(=O)[O-]	ZINC000536953891	416549643	/nfs/dbraw/zinc/54/96/43/416549643.db2.gz	KYPHSXXAZZFVIG-UHFFFAOYSA-N	-1	1	322.233	0.918	10	5		DCBEMM
O=C([O-])/C=C/CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000313567762	659302624	/nfs/dbraw/zinc/30/26/24/659302624.db2.gz	VLELXRBVTFNDRD-GORDUTHDSA-N	-1	1	304.255	0.653	10	5		DCBEMM
CN(CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1	ZINC000062010865	1157809919	/nfs/dbraw/zinc/80/99/19/1157809919.db2.gz	HBSOSRBIMTWLDY-UHFFFAOYSA-N	-1	1	315.351	0.673	10	5		DCBEMM
O=C(N[C@@H]1CCc2ncnn2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193579640	395772973	/nfs/dbraw/zinc/77/29/73/395772973.db2.gz	OSBYUKDRUQHVIM-MRVPVSSYSA-N	-1	1	304.266	0.032	10	5		DCBEMM
CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000119823270	415750795	/nfs/dbraw/zinc/75/07/95/415750795.db2.gz	UKQOMLYDWWQPMT-UHFFFAOYSA-N	-1	1	321.380	0.707	10	5		DCBEMM
C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000195480463	416326490	/nfs/dbraw/zinc/32/64/90/416326490.db2.gz	ZQALXSFLXZTTEK-RCOVLWMOSA-N	-1	1	319.364	0.459	10	5		DCBEMM
O=C(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)NC1CCCCC1	ZINC000361984293	416539392	/nfs/dbraw/zinc/53/93/92/416539392.db2.gz	SQGVQBVVHCKANM-UHFFFAOYSA-N	-1	1	322.321	0.874	10	5		DCBEMM
O=C1NCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000051156569	304668294	/nfs/dbraw/zinc/66/82/94/304668294.db2.gz	ALUFAPUGGMENCW-QMMMGPOBSA-N	-1	1	317.298	0.291	10	5		DCBEMM
CC(C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(N)=O	ZINC000107311408	415663943	/nfs/dbraw/zinc/66/39/43/415663943.db2.gz	JSPDRGPWDAWQBX-VIFPVBQESA-N	-1	1	319.314	0.522	10	5		DCBEMM
CN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O	ZINC000172617180	416048050	/nfs/dbraw/zinc/04/80/50/416048050.db2.gz	BZGDLKIULPTPJE-ZCFIWIBFSA-N	-1	1	305.337	0.165	10	5		DCBEMM
CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000530408815	287747637	/nfs/dbraw/zinc/74/76/37/287747637.db2.gz	CNMKLXIIMNCGGS-BDAKNGLRSA-N	-1	1	301.324	0.836	10	5		DCBEMM
O=C(N[C@H]1CCCn2ncnc21)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193682451	527042793	/nfs/dbraw/zinc/04/27/93/527042793.db2.gz	RCTDQCCYKHEPSR-QMMMGPOBSA-N	-1	1	304.266	0.552	10	5		DCBEMM
C[C@@H](CN(C)C)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000168923844	1159078504	/nfs/dbraw/zinc/07/85/04/1159078504.db2.gz	RKIDJVBZBSYMAR-QMMMGPOBSA-N	-1	1	303.340	0.529	10	5		DCBEMM
Cc1nc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])no1	ZINC000184576658	396299949	/nfs/dbraw/zinc/29/99/49/396299949.db2.gz	KNPPAILZYLQXKS-UHFFFAOYSA-N	-1	1	312.307	0.906	10	5		DCBEMM
Cc1cc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])on1	ZINC000552121920	288265677	/nfs/dbraw/zinc/26/56/77/288265677.db2.gz	SWAVTWACDSTWNO-UHFFFAOYSA-N	-1	1	312.307	0.807	10	5		DCBEMM