smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000036287829	683880514	/nfs/dbraw/zinc/88/05/14/683880514.db2.gz	WTKRKTCGKYHLFR-UHFFFAOYSA-N	0	2	307.331	2.437	50	5		DEBALN
Cc1cccc(-n2c3ccccc3cc3c(=O)[nH]c(=O)nc2-3)c1	ZINC000001264727	401705391	/nfs/dbraw/zinc/70/53/91/401705391.db2.gz	MPCFHHRLITZGNC-UHFFFAOYSA-N	0	2	303.321	2.487	50	5		DEBALN
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cnn(CC)c1	ZINC000072291937	401707333	/nfs/dbraw/zinc/70/73/33/401707333.db2.gz	GIQBJGDKKUMCNT-LBPRGKRZSA-N	0	2	318.333	2.398	50	5		DEBALN
Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2N)c(C)o1	ZINC000097379536	402124034	/nfs/dbraw/zinc/12/40/34/402124034.db2.gz	AIEKVEZVENTUJR-UHFFFAOYSA-N	0	2	311.319	2.188	50	5		DEBALN
Cc1c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-]	ZINC000252512124	424888370	/nfs/dbraw/zinc/88/83/70/424888370.db2.gz	MYEUNCHBJXROHE-KKUMJFAQSA-N	0	2	319.405	2.417	50	5		DEBALN
O=C1NC(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21	ZINC000015662016	304656472	/nfs/dbraw/zinc/65/64/72/304656472.db2.gz	IYHSONWRZBKXSO-GHXNOFRVSA-N	0	2	310.265	2.111	50	5		DEBALN
COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@H]2CCC[N@H+]21	ZINC000643919609	778935557	/nfs/dbraw/zinc/93/55/57/778935557.db2.gz	KCZDAYGAROCAGL-ANQUJSFKSA-N	0	2	318.373	2.134	50	5		DEBALN
CCOC(=O)[C@H]1CCCCN1Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000004985607	181185245	/nfs/dbraw/zinc/18/52/45/181185245.db2.gz	UTKKCGSEIGGGSC-GFCCVEGCSA-N	0	2	308.334	2.218	50	5		DEBALN
Cc1noc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C	ZINC000194609339	356242163	/nfs/dbraw/zinc/24/21/63/356242163.db2.gz	BYQDXZJLHIUYOO-UHFFFAOYSA-N	0	2	311.319	2.142	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000151008307	402010360	/nfs/dbraw/zinc/01/03/60/402010360.db2.gz	KFCHCOLZSDPYCH-WBMJQRKESA-N	0	2	320.345	2.068	50	5		DEBALN
Cc1noc(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(F)c1	ZINC000128915309	196003307	/nfs/dbraw/zinc/00/33/07/196003307.db2.gz	SMLDCWJJRXDJQM-UHFFFAOYSA-N	0	2	315.282	2.140	50	5		DEBALN
CS(=O)(=O)Nc1ccc(-c2ccc(N)cc2)cc1[N+](=O)[O-]	ZINC000003876984	181051781	/nfs/dbraw/zinc/05/17/81/181051781.db2.gz	NLAPEQKMJBEZQW-UHFFFAOYSA-N	0	2	307.331	2.216	50	5		DEBALN
CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1	ZINC000112113882	401731364	/nfs/dbraw/zinc/73/13/64/401731364.db2.gz	FBDOVSOSFZQXGR-OAHLLOKOSA-N	0	2	316.313	2.418	50	5		DEBALN
CCOc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1O	ZINC000012468430	401786515	/nfs/dbraw/zinc/78/65/15/401786515.db2.gz	KYTGZXDGFOQKLJ-SREVYHEPSA-N	0	2	319.273	2.071	50	5		DEBALN
O=[N+]([O-])c1cc([C@@H]2SC=C3Sc4nncn4N32)ccc1O	ZINC000020724602	304801172	/nfs/dbraw/zinc/80/11/72/304801172.db2.gz	HRQATMHSIRDWIA-JTQLQIEISA-N	0	2	321.343	2.180	50	5		DEBALN
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc([N+](=O)[O-])cc1	ZINC000004015742	304003971	/nfs/dbraw/zinc/00/39/71/304003971.db2.gz	HUWUIGSBCBKZBC-UHFFFAOYSA-N	0	2	303.230	2.461	50	5		DEBALN
CCCOc1ccccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000004020479	181062874	/nfs/dbraw/zinc/06/28/74/181062874.db2.gz	ITDMBMGECNNCKA-BQYQJAHWSA-N	0	2	317.301	2.343	50	5		DEBALN
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000195567437	356257973	/nfs/dbraw/zinc/25/79/73/356257973.db2.gz	KXGYYXFBJXVXAF-ZETCQYMHSA-N	0	2	305.290	2.396	50	5		DEBALN
COc1cccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1O	ZINC000408514174	533419581	/nfs/dbraw/zinc/41/95/81/533419581.db2.gz	IEWWSJKWPLZACU-UHFFFAOYSA-N	0	2	304.258	2.267	50	5		DEBALN
COc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000000326727	401694515	/nfs/dbraw/zinc/69/45/15/401694515.db2.gz	UYBGLARFVVNDFR-UHFFFAOYSA-N	0	2	308.315	2.404	50	5		DEBALN
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cnn(CC)c1	ZINC000072291938	401707161	/nfs/dbraw/zinc/70/71/61/401707161.db2.gz	GIQBJGDKKUMCNT-GFCCVEGCSA-N	0	2	318.333	2.398	50	5		DEBALN
COCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000025306377	401832469	/nfs/dbraw/zinc/83/24/69/401832469.db2.gz	LZSZKCXJBGBEKU-UHFFFAOYSA-N	0	2	316.313	2.377	50	5		DEBALN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c[nH]nc32)cs1	ZINC000097162595	402113544	/nfs/dbraw/zinc/11/35/44/402113544.db2.gz	UBNNMZMHQDGFIU-UHFFFAOYSA-N	0	2	324.343	2.333	50	5		DEBALN
CC1=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@@H]2C1	ZINC000100396937	402141215	/nfs/dbraw/zinc/14/12/15/402141215.db2.gz	BMSHSEAZTNOHBB-WDEREUQCSA-N	0	2	302.286	2.146	50	5		DEBALN
O=C(Nc1nnc([C@@H]2CCCO2)o1)c1ccc([N+](=O)[O-])s1	ZINC000010970552	181682402	/nfs/dbraw/zinc/68/24/02/181682402.db2.gz	XWHHLKDRNNFRPR-LURJTMIESA-N	0	2	310.291	2.143	50	5		DEBALN
COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000016635146	182055081	/nfs/dbraw/zinc/05/50/81/182055081.db2.gz	JRPXCQVXHKSKFS-UHFFFAOYSA-N	0	2	302.286	2.239	50	5		DEBALN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](c2cn[nH]c2)C1	ZINC000097052611	402103311	/nfs/dbraw/zinc/10/33/11/402103311.db2.gz	USNPTTMQURTVBU-JTQLQIEISA-N	0	2	316.317	2.043	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@H]1c1cn[nH]c1	ZINC000127355063	304529135	/nfs/dbraw/zinc/52/91/35/304529135.db2.gz	CECHUPRFRZLLHL-LBPRGKRZSA-N	0	2	316.317	2.391	50	5		DEBALN
CC(C)Cn1nccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000195561468	356257209	/nfs/dbraw/zinc/25/72/09/356257209.db2.gz	UCUFIHVXRNBEIA-UHFFFAOYSA-N	0	2	304.306	2.405	50	5		DEBALN
COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O	ZINC000390834464	533620027	/nfs/dbraw/zinc/62/00/27/533620027.db2.gz	ZGIZCFRTPFBVCD-UHFFFAOYSA-N	0	2	324.314	2.110	50	5		DEBALN
CC1=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@H]2C1	ZINC000006050490	401731107	/nfs/dbraw/zinc/73/11/07/401731107.db2.gz	BMSHSEAZTNOHBB-QWRGUYRKSA-N	0	2	302.286	2.146	50	5		DEBALN
CCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1	ZINC000075110695	401749130	/nfs/dbraw/zinc/74/91/30/401749130.db2.gz	IIUKKARGAWCBAJ-UHFFFAOYSA-N	0	2	310.335	2.071	50	5		DEBALN
O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])c(O)c1	ZINC000035362634	401898693	/nfs/dbraw/zinc/89/86/93/401898693.db2.gz	AHRJWRKGIXQBJW-UHFFFAOYSA-N	0	2	316.269	2.324	50	5		DEBALN
COc1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	ZINC000004522180	181119478	/nfs/dbraw/zinc/11/94/78/181119478.db2.gz	NYGHBNQAXZZADC-UHFFFAOYSA-N	0	2	308.315	2.404	50	5		DEBALN
O=C(NCCc1ccccc1F)c1ccc([N+](=O)[O-])c(O)c1	ZINC000014022104	401806285	/nfs/dbraw/zinc/80/62/85/401806285.db2.gz	JFFSOBDUNKMOGV-UHFFFAOYSA-N	0	2	304.277	2.412	50	5		DEBALN
COc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000035832782	401900945	/nfs/dbraw/zinc/90/09/45/401900945.db2.gz	GWXFJOMCRLFWDG-UHFFFAOYSA-N	0	2	318.285	2.327	50	5		DEBALN
Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(O)c1	ZINC000008185199	401749393	/nfs/dbraw/zinc/74/93/93/401749393.db2.gz	CZTNXDLRWQOFFZ-UHFFFAOYSA-N	0	2	308.315	2.410	50	5		DEBALN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1	ZINC000000304296	401694149	/nfs/dbraw/zinc/69/41/49/401694149.db2.gz	MFNJPYSGYCDLNC-UHFFFAOYSA-N	0	2	308.315	2.404	50	5		DEBALN
C[C@H](OCC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000089531059	401951576	/nfs/dbraw/zinc/95/15/76/401951576.db2.gz	PBTRXBRSJLEMIZ-LURJTMIESA-N	0	2	308.212	2.206	50	5		DEBALN
Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1	ZINC000004845029	418413232	/nfs/dbraw/zinc/41/32/32/418413232.db2.gz	KCVCQOMXXIMRIT-UHFFFAOYSA-N	0	2	307.331	2.407	50	5		DEBALN
Cc1ccccc1-n1c2ccccc2cc2c(=O)[nH]c(=O)nc1-2	ZINC000000521454	302075089	/nfs/dbraw/zinc/07/50/89/302075089.db2.gz	CGYVQMMDAFMJEY-UHFFFAOYSA-N	0	2	303.321	2.487	50	5		DEBALN
O=C(Nc1ccnn1CC1CC1)c1ccc(O)c([N+](=O)[O-])c1	ZINC000119234018	355785420	/nfs/dbraw/zinc/78/54/20/355785420.db2.gz	VZKXUYRRKGRAEF-UHFFFAOYSA-N	0	2	302.290	2.159	50	5		DEBALN
Cc1ccc(O)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000048231534	424831087	/nfs/dbraw/zinc/83/10/87/424831087.db2.gz	YBIINCDJUNYQPE-UHFFFAOYSA-N	0	2	308.315	2.410	50	5		DEBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2)c(Cl)c1	ZINC000072275915	191097366	/nfs/dbraw/zinc/09/73/66/191097366.db2.gz	QYJFWCIVNIAQAD-UHFFFAOYSA-N	0	2	313.722	2.444	50	5		DEBALN
COc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000003832810	181047776	/nfs/dbraw/zinc/04/77/76/181047776.db2.gz	DQBRRQBHWIMPRL-UHFFFAOYSA-N	0	2	308.315	2.404	50	5		DEBALN
Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097163853	402113563	/nfs/dbraw/zinc/11/35/63/402113563.db2.gz	BTFOELHINGWEDH-MRVPVSSYSA-N	0	2	319.317	2.266	50	5		DEBALN
O=C(Nc1nnc([C@H]2CCCO2)o1)c1ccc([N+](=O)[O-])s1	ZINC000010970555	401773095	/nfs/dbraw/zinc/77/30/95/401773095.db2.gz	XWHHLKDRNNFRPR-ZCFIWIBFSA-N	0	2	310.291	2.143	50	5		DEBALN
CC1=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@@H]2C1	ZINC000018244573	281686365	/nfs/dbraw/zinc/68/63/65/281686365.db2.gz	BMSHSEAZTNOHBB-GHMZBOCLSA-N	0	2	302.286	2.146	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@H]1c1ncc[nH]1	ZINC000097373311	304532496	/nfs/dbraw/zinc/53/24/96/304532496.db2.gz	QJYJLRHLYKSWKB-LBPRGKRZSA-N	0	2	316.317	2.391	50	5		DEBALN
CCCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1	ZINC000075110693	401749354	/nfs/dbraw/zinc/74/93/54/401749354.db2.gz	FWWAPGXYOCVQHT-UHFFFAOYSA-N	0	2	324.362	2.380	50	5		DEBALN
O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccnc(N3CCCCC3)c2)no1	ZINC000078774526	401865948	/nfs/dbraw/zinc/86/59/48/401865948.db2.gz	UXEGOQGPFISVTL-VXGBXAGGSA-N	0	2	315.333	2.255	50	5		DEBALN
Cc1noc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(C)C)n1	ZINC000071899709	401694409	/nfs/dbraw/zinc/69/44/09/401694409.db2.gz	USNFVAAEWYTSRZ-LBPRGKRZSA-N	0	2	320.305	2.119	50	5		DEBALN
Cc1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	ZINC000005579363	418413205	/nfs/dbraw/zinc/41/32/05/418413205.db2.gz	SBLOXIQCWHJJRK-UHFFFAOYSA-N	0	2	313.360	2.469	50	5		DEBALN
Nc1nc(Cl)nc(Nc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000019908391	182162931	/nfs/dbraw/zinc/16/29/31/182162931.db2.gz	JKYQQEIVMSHUHN-UHFFFAOYSA-N	0	2	310.657	2.272	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000151008359	402010471	/nfs/dbraw/zinc/01/04/71/402010471.db2.gz	KFCHCOLZSDPYCH-BLLLJJGKSA-N	0	2	320.345	2.068	50	5		DEBALN
CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097109261	402108271	/nfs/dbraw/zinc/10/82/71/402108271.db2.gz	DKSFSBLVEKYOQN-UHFFFAOYSA-N	0	2	301.302	2.358	50	5		DEBALN
COc1cc(F)cc2sc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nc21	ZINC000069975609	402253474	/nfs/dbraw/zinc/25/34/74/402253474.db2.gz	NVSBFDIPJVONOB-RNFRBKRXSA-N	0	2	311.294	2.048	50	5		DEBALN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1	ZINC000069674829	418488114	/nfs/dbraw/zinc/48/81/14/418488114.db2.gz	ASVDWNUSTWPFKU-UHFFFAOYSA-N	0	2	307.331	2.407	50	5		DEBALN
C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@@H]21	ZINC000018218183	182099531	/nfs/dbraw/zinc/09/95/31/182099531.db2.gz	HRZBKBWXBVJJHA-ZDSQKVDBSA-N	0	2	302.286	2.002	50	5		DEBALN
Cc1noc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000058016304	184067133	/nfs/dbraw/zinc/06/71/33/184067133.db2.gz	IYSASAKVKQQFQF-UHFFFAOYSA-N	0	2	311.319	2.309	50	5		DEBALN
COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@@H]2CCC[N@H+]21	ZINC000643919610	778935409	/nfs/dbraw/zinc/93/54/09/778935409.db2.gz	KCZDAYGAROCAGL-HWMZRRJGSA-N	0	2	318.373	2.134	50	5		DEBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc([N+](=O)[O-])c1	ZINC000035944138	401901497	/nfs/dbraw/zinc/90/14/97/401901497.db2.gz	OQTYOPJBECVUEO-UHFFFAOYSA-N	0	2	303.230	2.461	50	5		DEBALN
Cc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c(C)c1	ZINC000096013452	402047793	/nfs/dbraw/zinc/04/77/93/402047793.db2.gz	HJZXTGXLQUTJMX-UHFFFAOYSA-N	0	2	307.331	2.407	50	5		DEBALN
CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000170021260	563902747	/nfs/dbraw/zinc/90/27/47/563902747.db2.gz	LZIAWIGVIOHRDE-SMDDNHRTSA-N	0	2	308.334	2.091	50	5		DEBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1	ZINC000004956158	181179042	/nfs/dbraw/zinc/17/90/42/181179042.db2.gz	NSDDEPUTDNJYIC-UHFFFAOYSA-N	0	2	313.722	2.444	50	5		DEBALN
O=c1nc2n(Cc3ccccc3)c3ccccc3cc-2c(=O)[nH]1	ZINC000000539530	401700744	/nfs/dbraw/zinc/70/07/44/401700744.db2.gz	HXUDVRBCISXVSU-UHFFFAOYSA-N	0	2	303.321	2.238	50	5		DEBALN
CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000097112824	402109046	/nfs/dbraw/zinc/10/90/46/402109046.db2.gz	JMPOWKCNDGKPLP-UHFFFAOYSA-N	0	2	318.333	2.083	50	5		DEBALN
Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2[N+](=O)[O-])cc1	ZINC000005004394	301697655	/nfs/dbraw/zinc/69/76/55/301697655.db2.gz	QRXVDRYMIFNIIX-UHFFFAOYSA-N	0	2	307.331	2.286	50	5		DEBALN
COc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1	ZINC000003893832	181053712	/nfs/dbraw/zinc/05/37/12/181053712.db2.gz	SQJAYQBTXZAYTN-UHFFFAOYSA-N	0	2	308.315	2.404	50	5		DEBALN
CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1	ZINC000112113880	401731311	/nfs/dbraw/zinc/73/13/11/401731311.db2.gz	FBDOVSOSFZQXGR-HNNXBMFYSA-N	0	2	316.313	2.418	50	5		DEBALN
O=C(Nc1ccn(CC(F)F)n1)c1ccc(O)c([N+](=O)[O-])c1	ZINC000097080115	402104533	/nfs/dbraw/zinc/10/45/33/402104533.db2.gz	URAYVBNJFXLQQN-UHFFFAOYSA-N	0	2	312.232	2.014	50	5		DEBALN
CN(CCc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097109053	402108359	/nfs/dbraw/zinc/10/83/59/402108359.db2.gz	WROQXUBBALGLDR-UHFFFAOYSA-N	0	2	301.302	2.010	50	5		DEBALN
Cc1nn(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C	ZINC000069585307	402233124	/nfs/dbraw/zinc/23/31/24/402233124.db2.gz	ZIVOFQBDGJYOGG-UHFFFAOYSA-N	0	2	324.362	2.054	50	5		DEBALN
Cc1c(NS(=O)(=O)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-]	ZINC000095447382	185368015	/nfs/dbraw/zinc/36/80/15/185368015.db2.gz	IVGZIDUOCOQEKZ-UHFFFAOYSA-N	0	2	324.362	2.481	50	5		DEBALN
COc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000361837	401695427	/nfs/dbraw/zinc/69/54/27/401695427.db2.gz	YEQLXQLWQPTIHO-UHFFFAOYSA-N	0	2	308.315	2.404	50	5		DEBALN
Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C	ZINC000016213234	418413396	/nfs/dbraw/zinc/41/33/96/418413396.db2.gz	MVHAJGGJRXIEKG-UHFFFAOYSA-N	0	2	313.360	2.469	50	5		DEBALN
CCn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C	ZINC000195567485	402850987	/nfs/dbraw/zinc/85/09/87/402850987.db2.gz	WQKYBLQYNOHBSE-UHFFFAOYSA-N	0	2	304.306	2.386	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1c1ncc[nH]1	ZINC000097373310	304532667	/nfs/dbraw/zinc/53/26/67/304532667.db2.gz	QJYJLRHLYKSWKB-GFCCVEGCSA-N	0	2	316.317	2.391	50	5		DEBALN
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000195567436	356258138	/nfs/dbraw/zinc/25/81/38/356258138.db2.gz	KXGYYXFBJXVXAF-SSDOTTSWSA-N	0	2	305.290	2.396	50	5		DEBALN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1	ZINC000055546540	402083774	/nfs/dbraw/zinc/08/37/74/402083774.db2.gz	GPEQKXIEUFXWLA-UHFFFAOYSA-N	0	2	308.315	2.404	50	5		DEBALN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2cn[nH]c2)C1	ZINC000097052615	402103296	/nfs/dbraw/zinc/10/32/96/402103296.db2.gz	USNPTTMQURTVBU-SNVBAGLBSA-N	0	2	316.317	2.043	50	5		DEBALN
O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	ZINC000100571187	402141714	/nfs/dbraw/zinc/14/17/14/402141714.db2.gz	JWCLKXPPFHGUJZ-ZJUUUORDSA-N	0	2	322.704	2.323	50	5		DEBALN
Cc1cnc(OCc2nc(=O)c3sccc3[nH]2)c([N+](=O)[O-])c1	ZINC000095981518	193474759	/nfs/dbraw/zinc/47/47/59/193474759.db2.gz	XNZWSQCQILIJDV-UHFFFAOYSA-N	0	2	318.314	2.175	50	5		DEBALN
Cc1cnc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1	ZINC000078737178	401864010	/nfs/dbraw/zinc/86/40/10/401864010.db2.gz	SVCLYFJPXSFZEW-UHFFFAOYSA-N	0	2	317.323	2.300	50	5		DEBALN
Cc1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1	ZINC000065565227	184366468	/nfs/dbraw/zinc/36/64/68/184366468.db2.gz	XEGNRINDLVQFTO-UHFFFAOYSA-N	0	2	313.360	2.469	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@]2(CCCOC2)C1	ZINC000080106052	304529840	/nfs/dbraw/zinc/52/98/40/304529840.db2.gz	ZCMWTPDGEHEXFG-MRXNPFEDSA-N	0	2	320.345	2.333	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC2(CCCCC2)C1	ZINC000170005752	304530466	/nfs/dbraw/zinc/53/04/66/304530466.db2.gz	JVGUYZXXSKNVIG-UHFFFAOYSA-N	0	2	320.345	2.476	50	5		DEBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1	ZINC000035944140	303999252	/nfs/dbraw/zinc/99/92/52/303999252.db2.gz	KCLHWWXCLKUYCR-UHFFFAOYSA-N	0	2	303.230	2.461	50	5		DEBALN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccnc2)c1	ZINC000004035970	181065820	/nfs/dbraw/zinc/06/58/20/181065820.db2.gz	ACTOOLDFXVKYOB-UHFFFAOYSA-N	0	2	313.722	2.444	50	5		DEBALN
COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@@H]2CCC[N@H+]21	ZINC000643919611	778935235	/nfs/dbraw/zinc/93/52/35/778935235.db2.gz	KCZDAYGAROCAGL-IVSAIRAKSA-N	0	2	318.373	2.134	50	5		DEBALN
O=[N+]([O-])[C@H]1C[C@H]1c1nc(-c2ccnc(N3CCCCC3)c2)no1	ZINC000078774522	401865744	/nfs/dbraw/zinc/86/57/44/401865744.db2.gz	UXEGOQGPFISVTL-NEPJUHHUSA-N	0	2	315.333	2.255	50	5		DEBALN
O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)CCC3CC3)c2c1	ZINC000097140327	402110459	/nfs/dbraw/zinc/11/04/59/402110459.db2.gz	ADRLBNMJHQUDSH-UHFFFAOYSA-N	0	2	310.335	2.013	50	5		DEBALN
CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000170021264	563902673	/nfs/dbraw/zinc/90/26/73/563902673.db2.gz	LZIAWIGVIOHRDE-FZMZJTMJSA-N	0	2	308.334	2.091	50	5		DEBALN
COc1cc(F)cc2sc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])nc21	ZINC000069975602	402253597	/nfs/dbraw/zinc/25/35/97/402253597.db2.gz	NVSBFDIPJVONOB-RQJHMYQMSA-N	0	2	311.294	2.048	50	5		DEBALN
Cc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000312712	180756169	/nfs/dbraw/zinc/75/61/69/180756169.db2.gz	PGVLFFHIIKCKEJ-UHFFFAOYSA-N	0	2	308.315	2.410	50	5		DEBALN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3n[nH]cc32)cs1	ZINC000095945551	402035640	/nfs/dbraw/zinc/03/56/40/402035640.db2.gz	PQXDARHXRGOCKA-UHFFFAOYSA-N	0	2	324.343	2.333	50	5		DEBALN
O=[N+]([O-])c1cnn(C[C@@H](O)COCc2ccccc2Cl)c1	ZINC000095438798	185365866	/nfs/dbraw/zinc/36/58/66/185365866.db2.gz	HGVWHNKPAZIGQS-GFCCVEGCSA-N	0	2	311.725	2.022	50	5		DEBALN
CCOC(=O)CSc1cc(Cl)c2nonc2c1[N+](=O)[O-]	ZINC000005477792	181248202	/nfs/dbraw/zinc/24/82/02/181248202.db2.gz	ZEWVFMJRRNPZCS-UHFFFAOYSA-N	0	2	317.710	2.440	50	5		DEBALN
C[C@@H](OCC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000089531061	401951173	/nfs/dbraw/zinc/95/11/73/401951173.db2.gz	PBTRXBRSJLEMIZ-ZCFIWIBFSA-N	0	2	308.212	2.206	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2cn[nH]c2)C1	ZINC000170599055	355987957	/nfs/dbraw/zinc/98/79/57/355987957.db2.gz	CTSGPIKQBHMVJU-SNVBAGLBSA-N	0	2	316.317	2.043	50	5		DEBALN
NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000006935785	181407993	/nfs/dbraw/zinc/40/79/93/181407993.db2.gz	ZPYIYKWRURCMRF-UHFFFAOYSA-N	0	2	303.230	2.394	50	5		DEBALN
Cc1cc(S(=O)(=O)Nc2cnn(C(C)C)c2)ccc1[N+](=O)[O-]	ZINC000071908798	401695811	/nfs/dbraw/zinc/69/58/11/401695811.db2.gz	LARVGDYFSWCCKI-UHFFFAOYSA-N	0	2	324.362	2.481	50	5		DEBALN
CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nccs1	ZINC000097097377	402107293	/nfs/dbraw/zinc/10/72/93/402107293.db2.gz	HPKGNCBTGQRKDX-UHFFFAOYSA-N	0	2	307.331	2.422	50	5		DEBALN
Cc1ccnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000003832979	418413223	/nfs/dbraw/zinc/41/32/23/418413223.db2.gz	MANOVGZUQYKWCR-UHFFFAOYSA-N	0	2	307.331	2.407	50	5		DEBALN
Cc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1	ZINC000004433443	418413251	/nfs/dbraw/zinc/41/32/51/418413251.db2.gz	SXXHQOASQVWJEL-UHFFFAOYSA-N	0	2	313.360	2.469	50	5		DEBALN
Cc1[nH]c2ccccc2c1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000004770669	181149723	/nfs/dbraw/zinc/14/97/23/181149723.db2.gz	QLMOMCRZNLCDDS-VOTSOKGWSA-N	0	2	312.285	2.344	50	5		DEBALN
CCOC(=O)[C@@H]1CCCCN1Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000004985603	181184927	/nfs/dbraw/zinc/18/49/27/181184927.db2.gz	UTKKCGSEIGGGSC-LBPRGKRZSA-N	0	2	308.334	2.218	50	5		DEBALN
C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@@H]21	ZINC000101787335	296264158	/nfs/dbraw/zinc/26/41/58/296264158.db2.gz	HRZBKBWXBVJJHA-DFAYQTQMSA-N	0	2	302.286	2.002	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@]2(CCCOC2)C1	ZINC000080106048	401888769	/nfs/dbraw/zinc/88/87/69/401888769.db2.gz	ZCMWTPDGEHEXFG-INIZCTEOSA-N	0	2	320.345	2.333	50	5		DEBALN
Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1	ZINC000065567597	418486338	/nfs/dbraw/zinc/48/63/38/418486338.db2.gz	NLOJVDMPXZHPCO-UHFFFAOYSA-N	0	2	313.360	2.469	50	5		DEBALN
COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@H]2CCC[N@H+]21	ZINC000643919608	778935279	/nfs/dbraw/zinc/93/52/79/778935279.db2.gz	KCZDAYGAROCAGL-AIANPOQGSA-N	0	2	318.373	2.134	50	5		DEBALN
O=[N+]([O-])C1=C(Sc2ccc(Cl)cc2)CS(=O)(=O)C1	ZINC000000296858	401693817	/nfs/dbraw/zinc/69/38/17/401693817.db2.gz	FTEHHZGMWRGEEA-UHFFFAOYSA-N	0	2	305.764	2.349	50	5		DEBALN
O=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21	ZINC000030058200	401861151	/nfs/dbraw/zinc/86/11/51/401861151.db2.gz	IYHSONWRZBKXSO-KPKJPENVSA-N	0	2	310.265	2.111	50	5		DEBALN
Cc1[nH]c2ccccc2c1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000032690723	401881289	/nfs/dbraw/zinc/88/12/89/401881289.db2.gz	QLMOMCRZNLCDDS-SREVYHEPSA-N	0	2	312.285	2.344	50	5		DEBALN
CCn1cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1	ZINC000091054639	401991714	/nfs/dbraw/zinc/99/17/14/401991714.db2.gz	LXVMOKYOMOJFDU-UHFFFAOYSA-N	0	2	324.362	2.229	50	5		DEBALN
Cc1ncsc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000328594247	231234562	/nfs/dbraw/zinc/23/45/62/231234562.db2.gz	IFPOWQCLFIJBGC-UHFFFAOYSA-N	0	2	313.360	2.469	50	5		DEBALN
O=C(NCCSC(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1	ZINC000193686914	201102345	/nfs/dbraw/zinc/10/23/45/201102345.db2.gz	KONIVAMLZDGWDH-UHFFFAOYSA-N	0	2	310.253	2.283	50	5		DEBALN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cn1	ZINC000069675292	402238617	/nfs/dbraw/zinc/23/86/17/402238617.db2.gz	YBCIIRASYFBEKZ-UHFFFAOYSA-N	0	2	311.294	2.238	50	5		DEBALN
Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-]	ZINC000252512125	424888325	/nfs/dbraw/zinc/88/83/25/424888325.db2.gz	MYEUNCHBJXROHE-SOUVJXGZSA-N	0	2	319.405	2.417	50	5		DEBALN
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1nccs1	ZINC000124817521	337382985	/nfs/dbraw/zinc/38/29/85/337382985.db2.gz	IZNYUFNMRDHKJJ-MRVPVSSYSA-N	0	2	307.331	2.290	50	5		DEBALN
Cc1cc(N)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000725374148	787356739	/nfs/dbraw/zinc/35/67/39/787356739.db2.gz	IMUYFSGYFMYYCU-UHFFFAOYSA-N	0	2	307.331	2.286	50	5		DEBALN
COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000362791	401695911	/nfs/dbraw/zinc/69/59/11/401695911.db2.gz	UGQAMOBKUXTNCT-UHFFFAOYSA-N	0	2	308.315	2.404	50	5		DEBALN
O=C(CCOCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O	ZINC000089531767	401951230	/nfs/dbraw/zinc/95/12/30/401951230.db2.gz	ZRBHOKWMYDVPEK-UHFFFAOYSA-N	0	2	308.212	2.208	50	5		DEBALN
Cc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000085235388	401913504	/nfs/dbraw/zinc/91/35/04/401913504.db2.gz	HDRWZTHBAZERDI-UHFFFAOYSA-N	0	2	307.331	2.407	50	5		DEBALN
COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)ccn1	ZINC000097102707	402107286	/nfs/dbraw/zinc/10/72/86/402107286.db2.gz	NHZJUFURXWXDAW-UHFFFAOYSA-N	0	2	314.257	2.421	50	5		DEBALN
COc1ccccc1-n1c2ccccc2cc2c(=O)[nH]c(=O)nc1-2	ZINC000000052292	295345201	/nfs/dbraw/zinc/34/52/01/295345201.db2.gz	LOYDJHIVXJQNMZ-UHFFFAOYSA-N	0	2	319.320	2.187	50	5		DEBALN
Cc1cc(CS(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)no1	ZINC000092865564	185347230	/nfs/dbraw/zinc/34/72/30/185347230.db2.gz	POAFCLVMNBINGH-UHFFFAOYSA-N	0	2	311.319	2.142	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2cn[nH]c2)C1	ZINC000170599054	355987592	/nfs/dbraw/zinc/98/75/92/355987592.db2.gz	CTSGPIKQBHMVJU-JTQLQIEISA-N	0	2	316.317	2.043	50	5		DEBALN
Cc1nn(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C	ZINC000071883919	401692263	/nfs/dbraw/zinc/69/22/63/401692263.db2.gz	LVKFOYMWRMGNDS-UHFFFAOYSA-N	0	2	324.362	2.054	50	5		DEBALN
Cc1noc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(C)C)n1	ZINC000071899708	401694342	/nfs/dbraw/zinc/69/43/42/401694342.db2.gz	USNFVAAEWYTSRZ-GFCCVEGCSA-N	0	2	320.305	2.119	50	5		DEBALN
O=C(Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(O)c1	ZINC000035307877	401898334	/nfs/dbraw/zinc/89/83/34/401898334.db2.gz	JOWXNEKVLIKCEK-UHFFFAOYSA-N	0	2	302.242	2.281	50	5		DEBALN
CC(C)C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000073134404	279039577	/nfs/dbraw/zinc/03/95/77/279039577.db2.gz	HJPSRIVIXXMFPM-GFCCVEGCSA-N	0	2	308.334	2.188	50	5		DEBALN
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000170021271	563902824	/nfs/dbraw/zinc/90/28/24/563902824.db2.gz	LZIAWIGVIOHRDE-RISCZKNCSA-N	0	2	308.334	2.091	50	5		DEBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1COc2ccccc21	ZINC000089540751	192813489	/nfs/dbraw/zinc/81/34/89/192813489.db2.gz	CUGKTZYRMVNCNY-NSHDSACASA-N	0	2	300.270	2.415	50	5		DEBALN
CC(C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000066248375	402129198	/nfs/dbraw/zinc/12/91/98/402129198.db2.gz	IQJDHJFKEQWXES-UHFFFAOYSA-N	0	2	310.335	2.173	50	5		DEBALN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)cn1	ZINC000069675155	418488302	/nfs/dbraw/zinc/48/83/02/418488302.db2.gz	FCWTUSWGAYIXOF-UHFFFAOYSA-N	0	2	323.330	2.108	50	5		DEBALN
CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000170021267	563902817	/nfs/dbraw/zinc/90/28/17/563902817.db2.gz	LZIAWIGVIOHRDE-BXUZGUMPSA-N	0	2	308.334	2.091	50	5		DEBALN
Cc1noc(C)c1CCCNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097097337	355701326	/nfs/dbraw/zinc/70/13/26/355701326.db2.gz	HYJQCDXUMDDWCK-UHFFFAOYSA-N	0	2	319.317	2.268	50	5		DEBALN
CC(=O)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000035409473	401899609	/nfs/dbraw/zinc/89/96/09/401899609.db2.gz	AEVLVLWUNQLJJA-UHFFFAOYSA-N	0	2	316.269	2.478	50	5		DEBALN
Cc1cc(NS(=O)(=O)c2cncc(F)c2)ccc1[N+](=O)[O-]	ZINC000095982929	402041901	/nfs/dbraw/zinc/04/19/01/402041901.db2.gz	RSVXGZMFFVIIPG-UHFFFAOYSA-N	0	2	311.294	2.238	50	5		DEBALN
CCc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000241657644	402444009	/nfs/dbraw/zinc/44/40/09/402444009.db2.gz	PYASRQPIJDOCBI-UHFFFAOYSA-N	0	2	301.302	2.188	50	5		DEBALN
COC(=O)/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccncc1	ZINC000102827484	684057690	/nfs/dbraw/zinc/05/76/90/684057690.db2.gz	WEGGMJWAPBJHNS-XYOKQWHBSA-N	0	2	300.270	2.409	50	5		DEBALN
COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1	ZINC000005392678	181238781	/nfs/dbraw/zinc/23/87/81/181238781.db2.gz	SXGLRHBYEHHPBK-UHFFFAOYSA-N	0	2	308.315	2.404	50	5		DEBALN
Cc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	ZINC000003832980	418413257	/nfs/dbraw/zinc/41/32/57/418413257.db2.gz	OMRQTMASMDOPSA-UHFFFAOYSA-N	0	2	307.331	2.407	50	5		DEBALN
CCCc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]n1	ZINC000120044141	355789509	/nfs/dbraw/zinc/78/95/09/355789509.db2.gz	DICIOWAZPVBCEW-UHFFFAOYSA-N	0	2	316.364	2.133	50	5		DEBALN
C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@H]21	ZINC000239309562	296264351	/nfs/dbraw/zinc/26/43/51/296264351.db2.gz	HRZBKBWXBVJJHA-JQEORGNBSA-N	0	2	302.286	2.002	50	5		DEBALN
CN(C)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000078773344	401865212	/nfs/dbraw/zinc/86/52/12/401865212.db2.gz	CWQJUWVBKWZIDJ-UHFFFAOYSA-N	0	2	321.358	2.462	50	5		DEBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCO2	ZINC000000282841	401693456	/nfs/dbraw/zinc/69/34/56/401693456.db2.gz	OJNKXWOFJPHTER-UHFFFAOYSA-N	0	2	322.298	2.124	50	5		DEBALN
Cc1nn(C)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C	ZINC000078612503	401858626	/nfs/dbraw/zinc/85/86/26/401858626.db2.gz	QAIMWAPJCCYBAM-UHFFFAOYSA-N	0	2	324.362	2.054	50	5		DEBALN
O=[N+]([O-])c1ccc(CS(=O)(=O)c2nc3ccccc3[nH]2)cc1	ZINC000195010117	356248153	/nfs/dbraw/zinc/24/81/53/356248153.db2.gz	CLPTYLMHQMQNCY-UHFFFAOYSA-N	0	2	317.326	2.445	50	5		DEBALN
Cc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1[N+](=O)[O-]	ZINC000095447353	185367941	/nfs/dbraw/zinc/36/79/41/185367941.db2.gz	PLLQKRZDBQTVBB-UHFFFAOYSA-N	0	2	311.294	2.238	50	5		DEBALN
CSc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000005068608	181200816	/nfs/dbraw/zinc/20/08/16/181200816.db2.gz	PZODZXVQJUWEJQ-QPJJXVBHSA-N	0	2	305.315	2.276	50	5		DEBALN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C(C)C	ZINC000066248480	184398800	/nfs/dbraw/zinc/39/88/00/184398800.db2.gz	IAYPEEAPENYXAM-UHFFFAOYSA-N	0	2	324.362	2.481	50	5		DEBALN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000003150108	401721717	/nfs/dbraw/zinc/72/17/17/401721717.db2.gz	NJRYOYUOLUFJPO-UHFFFAOYSA-N	0	2	323.286	2.304	50	5		DEBALN
CCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C	ZINC000002762356	401717758	/nfs/dbraw/zinc/71/77/58/401717758.db2.gz	GOYWGRCVBJDJSG-UHFFFAOYSA-N	0	2	324.362	2.229	50	5		DEBALN
O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	ZINC000100571192	402141788	/nfs/dbraw/zinc/14/17/88/402141788.db2.gz	JWCLKXPPFHGUJZ-UWVGGRQHSA-N	0	2	322.704	2.323	50	5		DEBALN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccn2)c1	ZINC000003877711	418413230	/nfs/dbraw/zinc/41/32/30/418413230.db2.gz	SWQSAMYAMVGSFU-UHFFFAOYSA-N	0	2	313.722	2.444	50	5		DEBALN
O=c1nc2n(-c3ccccc3F)c3ccccc3cc-2c(=O)[nH]1	ZINC000000071636	304819471	/nfs/dbraw/zinc/81/94/71/304819471.db2.gz	XDFIXMHMGGPGTI-UHFFFAOYSA-N	0	2	307.284	2.318	50	5		DEBALN
COc1ccc(Cl)cc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000005034736	181194530	/nfs/dbraw/zinc/19/45/30/181194530.db2.gz	PVKYHUBHPIPQIP-DUXPYHPUSA-N	0	2	323.692	2.216	50	5		DEBALN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1C(C)C	ZINC000066248477	184398822	/nfs/dbraw/zinc/39/88/22/184398822.db2.gz	PWLULDMARWABQD-UHFFFAOYSA-N	0	2	324.362	2.481	50	5		DEBALN
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	ZINC000005100241	401728876	/nfs/dbraw/zinc/72/88/76/401728876.db2.gz	JWCLKXPPFHGUJZ-NXEZZACHSA-N	0	2	322.704	2.323	50	5		DEBALN
Cc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000075106928	401749386	/nfs/dbraw/zinc/74/93/86/401749386.db2.gz	OWRNUTYGFWXUKL-UHFFFAOYSA-N	0	2	313.360	2.469	50	5		DEBALN
Cc1onc(NC(=O)c2ccc([N+](=O)[O-])o2)c1Br	ZINC000000090967	401688053	/nfs/dbraw/zinc/68/80/53/401688053.db2.gz	ADOWXLLBBLZSCS-UHFFFAOYSA-N	0	2	316.067	2.499	50	5		DEBALN
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2nn[nH]c2c1	ZINC000089780818	401962745	/nfs/dbraw/zinc/96/27/45/401962745.db2.gz	MSSLONOAZXUZDB-UHFFFAOYSA-N	0	2	311.301	2.437	50	5		DEBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1	ZINC000004548630	181123332	/nfs/dbraw/zinc/12/33/32/181123332.db2.gz	SXATXEHIANFQQP-UHFFFAOYSA-N	0	2	323.286	2.304	50	5		DEBALN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccnc2)cc1Cl	ZINC000095945550	402035810	/nfs/dbraw/zinc/03/58/10/402035810.db2.gz	OFQFGWUHULTNDC-UHFFFAOYSA-N	0	2	313.722	2.444	50	5		DEBALN
CCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000072275946	418489287	/nfs/dbraw/zinc/48/92/87/418489287.db2.gz	BRXIDSYFTAKYDL-UHFFFAOYSA-N	0	2	313.360	2.415	50	5		DEBALN
COc1cc(F)cc2sc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])nc21	ZINC000069975606	277380168	/nfs/dbraw/zinc/38/01/68/277380168.db2.gz	NVSBFDIPJVONOB-BQBZGAKWSA-N	0	2	311.294	2.048	50	5		DEBALN
CC(C)C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000073134406	279219162	/nfs/dbraw/zinc/21/91/62/279219162.db2.gz	HJPSRIVIXXMFPM-LBPRGKRZSA-N	0	2	308.334	2.188	50	5		DEBALN
O=C(Nc1cnn(CC(F)F)c1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000072294979	191110651	/nfs/dbraw/zinc/11/06/51/191110651.db2.gz	YZDKRNFUGIFFAF-UHFFFAOYSA-N	0	2	312.232	2.014	50	5		DEBALN
O=[N+]([O-])[C@@H]1C[C@@H]1c1nc(-c2ccnc(N3CCCCC3)c2)no1	ZINC000078774528	191929155	/nfs/dbraw/zinc/92/91/55/191929155.db2.gz	UXEGOQGPFISVTL-NWDGAFQWSA-N	0	2	315.333	2.255	50	5		DEBALN
CCOc1ccc(C(=O)Cn2ccsc2=N)cc1[N+](=O)[O-]	ZINC000005475845	181248157	/nfs/dbraw/zinc/24/81/57/181248157.db2.gz	WHAIUGMAZVZKGO-UHFFFAOYSA-N	0	2	307.331	2.219	50	5		DEBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1COc2ccccc21	ZINC000089540750	401951072	/nfs/dbraw/zinc/95/10/72/401951072.db2.gz	CUGKTZYRMVNCNY-LLVKDONJSA-N	0	2	300.270	2.415	50	5		DEBALN
COc1ncccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000055617980	402084670	/nfs/dbraw/zinc/08/46/70/402084670.db2.gz	QOZLHNIOLZZYDB-UHFFFAOYSA-N	0	2	323.330	2.108	50	5		DEBALN
O=C(NC(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000097756636	402132026	/nfs/dbraw/zinc/13/20/26/402132026.db2.gz	VKHWJCSMOPGTDP-UHFFFAOYSA-N	0	2	301.258	2.262	50	5		DEBALN
O=C1[C@@H]2CC(Cl)=CC[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	ZINC000100571196	402141686	/nfs/dbraw/zinc/14/16/86/402141686.db2.gz	JWCLKXPPFHGUJZ-VHSXEESVSA-N	0	2	322.704	2.323	50	5		DEBALN
Cc1ncsc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000066650312	402138753	/nfs/dbraw/zinc/13/87/53/402138753.db2.gz	RNDMPZAZVZBNKD-UHFFFAOYSA-N	0	2	307.331	2.338	50	5		DEBALN
Cc1n[nH]cc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000170090366	197769058	/nfs/dbraw/zinc/76/90/58/197769058.db2.gz	REVFOLRDQYNAEC-UHFFFAOYSA-N	0	2	310.335	2.044	50	5		DEBALN
Cc1cnc(CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)s1	ZINC000097052726	402103409	/nfs/dbraw/zinc/10/34/09/402103409.db2.gz	RNJIWOORHHAHJT-UHFFFAOYSA-N	0	2	321.358	2.380	50	5		DEBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccncc2)c(Cl)c1	ZINC000072275624	191097172	/nfs/dbraw/zinc/09/71/72/191097172.db2.gz	UZHQULNILXTQHI-UHFFFAOYSA-N	0	2	313.722	2.444	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOc2ccccc2C1	ZINC000080439798	355363497	/nfs/dbraw/zinc/36/34/97/355363497.db2.gz	IKZLHLITZVBPJX-UHFFFAOYSA-N	0	2	314.297	2.335	50	5		DEBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c1	ZINC000040945812	183149595	/nfs/dbraw/zinc/14/95/95/183149595.db2.gz	ODFYBQONMXQKNR-UHFFFAOYSA-N	0	2	323.286	2.304	50	5		DEBALN
CC(C)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1	ZINC000075198912	401754316	/nfs/dbraw/zinc/75/43/16/401754316.db2.gz	WKGTUXBWWHBUSP-UHFFFAOYSA-N	0	2	304.306	2.405	50	5		DEBALN
CN(CCc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000169970866	563901754	/nfs/dbraw/zinc/90/17/54/563901754.db2.gz	VMJCOQVUJGTXLV-UHFFFAOYSA-N	0	2	301.302	2.010	50	5		DEBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2c(F)cccc2Cl)[nH]1	ZINC000004501646	181115950	/nfs/dbraw/zinc/11/59/50/181115950.db2.gz	QUAVYQNTSIDDLR-SNAWJCMRSA-N	0	2	311.656	2.347	50	5		DEBALN
Cc1ccc(-n2c3ccccc3cc3c(=O)[nH]c(=O)nc2-3)cc1	ZINC000000521511	401700049	/nfs/dbraw/zinc/70/00/49/401700049.db2.gz	WYZFWPOFUJLDFX-UHFFFAOYSA-N	0	2	303.321	2.487	50	5		DEBALN
CNC(=O)c1cnc(/C=C/c2cc(O)ccc2[N+](=O)[O-])s1	ZINC000089392170	401944763	/nfs/dbraw/zinc/94/47/63/401944763.db2.gz	VWQZWMOBERPAHR-GORDUTHDSA-N	0	2	305.315	2.287	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2cc[nH]n2)CC1	ZINC000097097426	402107116	/nfs/dbraw/zinc/10/71/16/402107116.db2.gz	SGNXCABJDAUTNU-UHFFFAOYSA-N	0	2	316.317	2.043	50	5		DEBALN
Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097163854	402113413	/nfs/dbraw/zinc/11/34/13/402113413.db2.gz	BTFOELHINGWEDH-QMMMGPOBSA-N	0	2	319.317	2.266	50	5		DEBALN
C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@H]21	ZINC000239309561	296264292	/nfs/dbraw/zinc/26/42/92/296264292.db2.gz	HRZBKBWXBVJJHA-DVYJOKAKSA-N	0	2	302.286	2.002	50	5		DEBALN
Cc1n[nH]cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C	ZINC000097142186	402110838	/nfs/dbraw/zinc/11/08/38/402110838.db2.gz	AKEIHCGLERNYBH-UHFFFAOYSA-N	0	2	310.335	2.044	50	5		DEBALN
COc1cc(F)cc2sc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])nc21	ZINC000069975614	277380314	/nfs/dbraw/zinc/38/03/14/277380314.db2.gz	NVSBFDIPJVONOB-NKWVEPMBSA-N	0	2	311.294	2.048	50	5		DEBALN
COC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1	ZINC000169987768	563902404	/nfs/dbraw/zinc/90/24/04/563902404.db2.gz	OLCFZJLWRIRTLX-UHFFFAOYSA-N	0	2	308.334	2.330	50	5		DEBALN
O=C(NCC1(c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1O	ZINC000097052741	185404182	/nfs/dbraw/zinc/40/41/82/185404182.db2.gz	MEJHOCFYMNBCCI-UHFFFAOYSA-N	0	2	313.313	2.157	50	5		DEBALN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000005249557	181221886	/nfs/dbraw/zinc/22/18/86/181221886.db2.gz	GRACKXCMXAGLIC-UHFFFAOYSA-N	0	2	323.286	2.304	50	5		DEBALN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1	ZINC000035081929	401894900	/nfs/dbraw/zinc/89/49/00/401894900.db2.gz	UCVNMWYMIDGBFG-UHFFFAOYSA-N	0	2	308.315	2.410	50	5		DEBALN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cccs1	ZINC000035864427	401901304	/nfs/dbraw/zinc/90/13/04/401901304.db2.gz	HVSCGWAHBIMCGF-UHFFFAOYSA-N	0	2	323.355	2.489	50	5		DEBALN
Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000036736346	401907198	/nfs/dbraw/zinc/90/71/98/401907198.db2.gz	HYYYGFOEKCDSEM-UHFFFAOYSA-N	0	2	310.335	2.044	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000151008406	402010380	/nfs/dbraw/zinc/01/03/80/402010380.db2.gz	KFCHCOLZSDPYCH-LRDDRELGSA-N	0	2	320.345	2.068	50	5		DEBALN
O=c1nc2n(-c3ccc(F)cc3)c3ccccc3cc-2c(=O)[nH]1	ZINC000000069154	304819492	/nfs/dbraw/zinc/81/94/92/304819492.db2.gz	MWCMHOFFZHQMFV-UHFFFAOYSA-N	0	2	307.284	2.318	50	5		DEBALN
COCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1	ZINC000030017630	401861203	/nfs/dbraw/zinc/86/12/03/401861203.db2.gz	MHNUGXWMBSPAID-UHFFFAOYSA-N	0	2	316.313	2.377	50	5		DEBALN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(O)c1	ZINC000089466043	401948121	/nfs/dbraw/zinc/94/81/21/401948121.db2.gz	SVXXZERXOBHWCO-UHFFFAOYSA-N	0	2	324.314	2.110	50	5		DEBALN
Cc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000004844684	418413225	/nfs/dbraw/zinc/41/32/25/418413225.db2.gz	ZZVVQORHEHIUGI-UHFFFAOYSA-N	0	2	307.331	2.407	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000127354744	304529119	/nfs/dbraw/zinc/52/91/19/304529119.db2.gz	CECHUPRFRZLLHL-GFCCVEGCSA-N	0	2	316.317	2.391	50	5		DEBALN
O=[N+]([O-])c1cc(F)cc2n[nH]c(I)c21	ZINC000014983884	285094538	/nfs/dbraw/zinc/09/45/38/285094538.db2.gz	IYFJIWZQSMZCML-UHFFFAOYSA-N	0	2	307.022	2.215	50	5		DEBALN
CCc1c(O)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000010059014	401767873	/nfs/dbraw/zinc/76/78/73/401767873.db2.gz	ASQKRGAMRDBMAD-UHFFFAOYSA-N	0	2	307.331	2.238	50	5		DEBALN
Cc1ncc(CN(C)C(=O)c2cccc(O)c2[N+](=O)[O-])s1	ZINC000225801264	402323720	/nfs/dbraw/zinc/32/37/20/402323720.db2.gz	UNDIRGBQTFTLDD-UHFFFAOYSA-N	0	2	307.331	2.338	50	5		DEBALN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl	ZINC000005260286	418413242	/nfs/dbraw/zinc/41/32/42/418413242.db2.gz	JAADNMWSOPUERI-UHFFFAOYSA-N	0	2	313.722	2.444	50	5		DEBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000151008261	402010624	/nfs/dbraw/zinc/01/06/24/402010624.db2.gz	KFCHCOLZSDPYCH-MLGOLLRUSA-N	0	2	320.345	2.068	50	5		DEBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1	ZINC000000318679	401694265	/nfs/dbraw/zinc/69/42/65/401694265.db2.gz	YTCYUIMRGPHUKD-UHFFFAOYSA-N	0	2	313.722	2.444	50	5		DEBALN
CC(C)Oc1ccccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000033926859	401892584	/nfs/dbraw/zinc/89/25/84/401892584.db2.gz	SFUMQATXHJYLLQ-FPLPWBNLSA-N	0	2	317.301	2.341	50	5		DEBALN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1nccs1	ZINC000124817391	337383070	/nfs/dbraw/zinc/38/30/70/337383070.db2.gz	IZNYUFNMRDHKJJ-QMMMGPOBSA-N	0	2	307.331	2.290	50	5		DEBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCO2	ZINC000026543631	401841435	/nfs/dbraw/zinc/84/14/35/401841435.db2.gz	STUKJIPYDCIEGA-UHFFFAOYSA-N	0	2	320.326	2.331	50	5		DEBALN
O=C(NCCNc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000096436732	402086940	/nfs/dbraw/zinc/08/69/40/402086940.db2.gz	BGLCRDGJDKMFTF-UHFFFAOYSA-N	0	2	301.302	2.142	50	5		DEBALN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn2c1CCCC2	ZINC000166070673	402481314	/nfs/dbraw/zinc/48/13/14/402481314.db2.gz	VAIVEELJMDBTTE-UHFFFAOYSA-N	0	2	302.290	2.086	50	5		DEBALN
O=[N+]([O-])c1cc([C@H]2SC=C3Sc4nncn4N32)ccc1O	ZINC000020724606	304801188	/nfs/dbraw/zinc/80/11/88/304801188.db2.gz	HRQATMHSIRDWIA-SNVBAGLBSA-N	0	2	321.343	2.180	50	5		DEBALN
CCCn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000079361331	185167203	/nfs/dbraw/zinc/16/72/03/185167203.db2.gz	HXJWSJAURSTSIF-UHFFFAOYSA-N	0	2	324.362	2.311	50	5		DEBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1	ZINC000194641043	356243252	/nfs/dbraw/zinc/24/32/52/356243252.db2.gz	CPOBQQGGABJGRB-UHFFFAOYSA-N	0	2	322.346	2.002	50	5		DEBALN
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N2	ZINC000022015824	401826260	/nfs/dbraw/zinc/82/62/60/401826260.db2.gz	IFCZVCSNFOGMGK-UHFFFAOYSA-N	0	2	321.270	2.393	50	5		DEBALN
O=C(NCCCc1ccccn1)c1cc([N+](=O)[O-])ccc1O	ZINC000182137424	402668205	/nfs/dbraw/zinc/66/82/05/402668205.db2.gz	LUUCNRHNIBVJQO-UHFFFAOYSA-N	0	2	301.302	2.058	50	5		DEBALN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	ZINC000005345068	304803539	/nfs/dbraw/zinc/80/35/39/304803539.db2.gz	GVRHCWYGXNDUCX-UHFFFAOYSA-N	0	2	323.286	2.304	50	5		DEBALN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cn1	ZINC000069675208	402238282	/nfs/dbraw/zinc/23/82/82/402238282.db2.gz	FVGBFWYHTXAGHF-UHFFFAOYSA-N	0	2	311.294	2.238	50	5		DEBALN
CC1=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@H]2C1	ZINC000100396942	281686081	/nfs/dbraw/zinc/68/60/81/281686081.db2.gz	BMSHSEAZTNOHBB-MNOVXSKESA-N	0	2	302.286	2.146	50	5		DEBALN
CC(C)c1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)on1	ZINC000097109065	402108532	/nfs/dbraw/zinc/10/85/32/402108532.db2.gz	VQFQUPJZDSJHPJ-UHFFFAOYSA-N	0	2	305.290	2.342	50	5		DEBALN
CN(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000318710	401694271	/nfs/dbraw/zinc/69/42/71/401694271.db2.gz	LNELEUBYDKACJS-UHFFFAOYSA-N	0	2	321.358	2.462	50	5		DEBALN
O=[N+]([O-])[C@H]1C[C@@H]1c1nc(-c2ccnc(N3CCCCC3)c2)no1	ZINC000078774525	401866025	/nfs/dbraw/zinc/86/60/25/401866025.db2.gz	UXEGOQGPFISVTL-RYUDHWBXSA-N	0	2	315.333	2.255	50	5		DEBALN