smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000197878412	539722337	/nfs/dbraw/zinc/72/23/37/539722337.db2.gz	ROSXSZNDMDGIRN-UHFFFAOYSA-N	-1	1	324.296	2.326	50	5		DEBAMM
CN(C)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000004702871	181139642	/nfs/dbraw/zinc/13/96/42/181139642.db2.gz	PGQYFAXZSYNXIK-UHFFFAOYSA-N	-1	1	321.358	2.462	50	5		DEBAMM
CN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000009500190	181625513	/nfs/dbraw/zinc/62/55/13/181625513.db2.gz	NBMBPLLTKOFXOK-UHFFFAOYSA-N	-1	1	321.720	2.209	50	5		DEBAMM
Cc1nn(CCc2n[n-]c(=S)n2C2CC2)c(C)c1[N+](=O)[O-]	ZINC000002787841	401718473	/nfs/dbraw/zinc/71/84/73/401718473.db2.gz	ADDBUHZNKWUESS-UHFFFAOYSA-N	-1	1	308.367	2.240	50	5		DEBAMM
O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc2c1CCC2	ZINC000011902996	401777710	/nfs/dbraw/zinc/77/77/10/401777710.db2.gz	UOYOUXVOGKGLHC-UHFFFAOYSA-N	-1	1	303.343	2.459	50	5		DEBAMM
COC(=O)c1cc([N+](=O)[O-])cc2n[n-]c(Br)c21	ZINC000014983693	401814367	/nfs/dbraw/zinc/81/43/67/401814367.db2.gz	YXRTZIUWOQYVOA-UHFFFAOYSA-N	-1	1	300.068	2.020	50	5		DEBAMM
CCO[N-]C(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	ZINC000036389838	401904884	/nfs/dbraw/zinc/90/48/84/401904884.db2.gz	NWWHGZJKFNUCEP-UKRRQHHQSA-N	-1	1	319.361	2.194	50	5		DEBAMM
CC[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C)C	ZINC000095939392	402034571	/nfs/dbraw/zinc/03/45/71/402034571.db2.gz	JOQARDPBHZHMDD-SECBINFHSA-N	-1	1	301.730	2.233	50	5		DEBAMM
COc1cc(C(=O)[N-]c2nnc(C)s2)c([N+](=O)[O-])cc1OC	ZINC000001838671	401711253	/nfs/dbraw/zinc/71/12/53/401711253.db2.gz	GJKHNHDBJIGXNY-UHFFFAOYSA-N	-1	1	324.318	2.024	50	5		DEBAMM
O=C([O-])c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000004481971	181112916	/nfs/dbraw/zinc/11/29/16/181112916.db2.gz	HBGXOOXDSPGNAH-UHFFFAOYSA-N	-1	1	302.242	2.251	50	5		DEBAMM
COC(=O)c1cc2n[n-]c(Br)c2c([N+](=O)[O-])c1	ZINC000014983791	401814803	/nfs/dbraw/zinc/81/48/03/401814803.db2.gz	HRBWBPNNDZJPGW-UHFFFAOYSA-N	-1	1	300.068	2.020	50	5		DEBAMM
CCOCc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000004696294	181138463	/nfs/dbraw/zinc/13/84/63/181138463.db2.gz	KACJVLXEYCZUOE-UHFFFAOYSA-N	-1	1	308.319	2.235	50	5		DEBAMM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H](C1CC1)N1CCCC1	ZINC000097376269	402123436	/nfs/dbraw/zinc/12/34/36/402123436.db2.gz	IYCGJFBTMZOKTG-AWEZNQCLSA-N	-1	1	305.334	2.113	50	5		DEBAMM
CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000075110695	401749128	/nfs/dbraw/zinc/74/91/28/401749128.db2.gz	IIUKKARGAWCBAJ-UHFFFAOYSA-N	-1	1	310.335	2.071	50	5		DEBAMM
C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cc1	ZINC000015611611	401818459	/nfs/dbraw/zinc/81/84/59/401818459.db2.gz	VSHXHYCNBZRWQG-MRVPVSSYSA-N	-1	1	321.720	2.428	50	5		DEBAMM
Cc1cc(=O)[n-]c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1	ZINC000016283978	401819083	/nfs/dbraw/zinc/81/90/83/401819083.db2.gz	MQRSKNRMJCUQTI-UHFFFAOYSA-N	-1	1	308.275	2.458	50	5		DEBAMM
O=C([O-])c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000003884698	181052241	/nfs/dbraw/zinc/05/22/41/181052241.db2.gz	PRWBOHFORNIFNJ-UHFFFAOYSA-N	-1	1	322.298	2.094	50	5		DEBAMM
Cc1ccnc([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000170609247	355989168	/nfs/dbraw/zinc/98/91/68/355989168.db2.gz	DYEDUYZXXQBFFX-UHFFFAOYSA-N	-1	1	307.331	2.240	50	5		DEBAMM
CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1	ZINC000170600183	402506377	/nfs/dbraw/zinc/50/63/77/402506377.db2.gz	YEGBKSYGVWFGIL-UHFFFAOYSA-N	-1	1	315.329	2.403	50	5		DEBAMM
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000020219071	257268871	/nfs/dbraw/zinc/26/88/71/257268871.db2.gz	BKUNPQRMDNFZLI-UHFFFAOYSA-N	-1	1	322.298	2.094	50	5		DEBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1	ZINC000003833369	181047714	/nfs/dbraw/zinc/04/77/14/181047714.db2.gz	SAOGDFMIKZNWCX-UHFFFAOYSA-N	-1	1	308.315	2.404	50	5		DEBAMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)s1	ZINC000067877173	402176900	/nfs/dbraw/zinc/17/69/00/402176900.db2.gz	BEMGEIAKTYVJIN-QWRGUYRKSA-N	-1	1	324.383	2.491	50	5		DEBAMM
CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cncc([O-])c1	ZINC000095395219	185352572	/nfs/dbraw/zinc/35/25/72/185352572.db2.gz	GYOIMQKAZVZQEU-UHFFFAOYSA-N	-1	1	301.302	2.358	50	5		DEBAMM
CC[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C)C	ZINC000095939391	402034368	/nfs/dbraw/zinc/03/43/68/402034368.db2.gz	JOQARDPBHZHMDD-VIFPVBQESA-N	-1	1	301.730	2.233	50	5		DEBAMM
CCCS(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000095990495	402043786	/nfs/dbraw/zinc/04/37/86/402043786.db2.gz	CRFFYMWPYVQZEC-UHFFFAOYSA-N	-1	1	310.335	2.137	50	5		DEBAMM
CCCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1	ZINC000075110693	401749351	/nfs/dbraw/zinc/74/93/51/401749351.db2.gz	FWWAPGXYOCVQHT-UHFFFAOYSA-N	-1	1	324.362	2.380	50	5		DEBAMM
Cc1ccc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1	ZINC000015612153	401818333	/nfs/dbraw/zinc/81/83/33/401818333.db2.gz	HFFMFGGCYILHAC-NSHDSACASA-N	-1	1	315.329	2.391	50	5		DEBAMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2CC2)cc1Cl	ZINC000225549948	402320917	/nfs/dbraw/zinc/32/09/17/402320917.db2.gz	RUZMMNCCDXURHZ-UHFFFAOYSA-N	-1	1	308.718	2.076	50	5		DEBAMM
CC(=O)[N-]C(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000000238061	401691984	/nfs/dbraw/zinc/69/19/84/401691984.db2.gz	AUJAOCXGMNGJBN-UHFFFAOYSA-N	-1	1	314.297	2.450	50	5		DEBAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1[N+](=O)[O-]	ZINC000012541726	401787471	/nfs/dbraw/zinc/78/74/71/401787471.db2.gz	IEIHPVWEQMUQTK-UHFFFAOYSA-N	-1	1	324.314	2.110	50	5		DEBAMM
Cc1ccc(OCC(=O)[N-]C(=O)c2ccccc2)c([N+](=O)[O-])c1	ZINC000007463591	401740870	/nfs/dbraw/zinc/74/08/70/401740870.db2.gz	AQNAQEZNVNEMEI-UHFFFAOYSA-N	-1	1	314.297	2.239	50	5		DEBAMM
CC(C)[C@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1O)C(=O)[O-]	ZINC000004828331	280230899	/nfs/dbraw/zinc/23/08/99/280230899.db2.gz	CRCZPSSBXSQRRD-JTQLQIEISA-N	-1	1	310.306	2.376	50	5		DEBAMM
Cc1[nH]c2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000009010307	401758777	/nfs/dbraw/zinc/75/87/77/401758777.db2.gz	PTYXJKURGMONME-SREVYHEPSA-N	-1	1	312.285	2.344	50	5		DEBAMM
Cc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C	ZINC000097161620	402112501	/nfs/dbraw/zinc/11/25/01/402112501.db2.gz	HERDISUBOXXHBQ-UHFFFAOYSA-N	-1	1	316.364	2.105	50	5		DEBAMM
CNc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036287830	683880424	/nfs/dbraw/zinc/88/04/24/683880424.db2.gz	RBTIEFRAIRKPCY-UHFFFAOYSA-N	-1	1	307.331	2.437	50	5		DEBAMM
CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[nH]n1	ZINC000097014710	185397337	/nfs/dbraw/zinc/39/73/37/185397337.db2.gz	YQMHDPNHDHSELR-UHFFFAOYSA-N	-1	1	316.364	2.304	50	5		DEBAMM
O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc([O-])cc1F	ZINC000170599961	355987803	/nfs/dbraw/zinc/98/78/03/355987803.db2.gz	VMZMSSONFPOPKC-UHFFFAOYSA-N	-1	1	304.277	2.412	50	5		DEBAMM
CN(Cc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000009048263	401758691	/nfs/dbraw/zinc/75/86/91/401758691.db2.gz	OTHUIMDBNXXKPT-UHFFFAOYSA-N	-1	1	321.720	2.209	50	5		DEBAMM
CCOC(=O)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000002889157	276303515	/nfs/dbraw/zinc/30/35/15/276303515.db2.gz	BIUWFSQSKKRXNC-UHFFFAOYSA-N	-1	1	311.275	2.073	50	5		DEBAMM
Cc1[nH]c2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000009235086	401760553	/nfs/dbraw/zinc/76/05/53/401760553.db2.gz	PTYXJKURGMONME-VOTSOKGWSA-N	-1	1	312.285	2.344	50	5		DEBAMM
Cc1nnc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1	ZINC000134192125	401900095	/nfs/dbraw/zinc/90/00/95/401900095.db2.gz	NCCPKMUZDSUSIX-UHFFFAOYSA-N	-1	1	300.246	2.285	50	5		DEBAMM
Cc1cc(=O)[n-]c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1	ZINC000005118778	181205123	/nfs/dbraw/zinc/20/51/23/181205123.db2.gz	FNJBIOBAMRNKJG-UHFFFAOYSA-N	-1	1	317.330	2.155	50	5		DEBAMM
COc1ccc([N+](=O)[O-])c(OC)c1C(=O)[N-]c1nnc(C)s1	ZINC000012339159	401783841	/nfs/dbraw/zinc/78/38/41/401783841.db2.gz	IGMDXDXPDJZWJH-UHFFFAOYSA-N	-1	1	324.318	2.024	50	5		DEBAMM
COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccc([O-])cc1	ZINC000083953055	192392351	/nfs/dbraw/zinc/39/23/51/192392351.db2.gz	VZOVJYWGKGHNHY-UHFFFAOYSA-N	-1	1	323.326	2.283	50	5		DEBAMM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H](C1CC1)N1CCCC1	ZINC000097376268	402123493	/nfs/dbraw/zinc/12/34/93/402123493.db2.gz	IYCGJFBTMZOKTG-CQSZACIVSA-N	-1	1	305.334	2.113	50	5		DEBAMM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000006315986	304263945	/nfs/dbraw/zinc/26/39/45/304263945.db2.gz	ZHVUPYFYOFHVSL-UHFFFAOYSA-N	-1	1	322.298	2.094	50	5		DEBAMM
CC(C)Oc1ccccc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000005080721	401728852	/nfs/dbraw/zinc/72/88/52/401728852.db2.gz	IUQFDFVZSNBNHX-BQYQJAHWSA-N	-1	1	317.301	2.341	50	5		DEBAMM
C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)c(F)c1	ZINC000015611643	401818262	/nfs/dbraw/zinc/81/82/62/401818262.db2.gz	HQQKVLLHFLKZFG-SSDOTTSWSA-N	-1	1	323.255	2.052	50	5		DEBAMM
COC(=O)c1n[n-]c2ccc(Br)c([N+](=O)[O-])c21	ZINC000089157334	277172086	/nfs/dbraw/zinc/17/20/86/277172086.db2.gz	KUBCOLKUCDHPLQ-UHFFFAOYSA-N	-1	1	300.068	2.020	50	5		DEBAMM
Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2N)cc1	ZINC000005260149	181223668	/nfs/dbraw/zinc/22/36/68/181223668.db2.gz	QKWNJNWPGTVRKM-UHFFFAOYSA-N	-1	1	307.331	2.286	50	5		DEBAMM
CC(C)[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1O)C(=O)[O-]	ZINC000004828326	401727424	/nfs/dbraw/zinc/72/74/24/401727424.db2.gz	CRCZPSSBXSQRRD-SNVBAGLBSA-N	-1	1	310.306	2.376	50	5		DEBAMM
Cc1c(OCc2nn[n-]n2)ccc2c3ccccc3c(=O)oc12	ZINC000006130614	181315344	/nfs/dbraw/zinc/31/53/44/181315344.db2.gz	WPVAHZCGVUZSON-UHFFFAOYSA-N	-1	1	308.297	2.347	50	5		DEBAMM
O=c1[n-]c(SCc2cccc([N+](=O)[O-])c2)nc2[nH]cnc21	ZINC000007996341	401747016	/nfs/dbraw/zinc/74/70/16/401747016.db2.gz	DIKVHTCRLXZEJN-UHFFFAOYSA-N	-1	1	303.303	2.259	50	5	in-vitro	DEBAMM
Cc1ccc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1	ZINC000015612152	401818277	/nfs/dbraw/zinc/81/82/77/401818277.db2.gz	HFFMFGGCYILHAC-LLVKDONJSA-N	-1	1	315.329	2.391	50	5		DEBAMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)s1	ZINC000067877175	402176986	/nfs/dbraw/zinc/17/69/86/402176986.db2.gz	BEMGEIAKTYVJIN-WDEREUQCSA-N	-1	1	324.383	2.491	50	5		DEBAMM
Cc1cc([N-]c2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])no1	ZINC000004684451	353992551	/nfs/dbraw/zinc/99/25/51/353992551.db2.gz	DCOJDEKFQSKEMQ-UHFFFAOYSA-N	-1	1	316.273	2.288	50	5		DEBAMM
O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1C=C([O-])c1cccnc1	ZINC000013212119	354025385	/nfs/dbraw/zinc/02/53/85/354025385.db2.gz	ZKVRHWBMVJJJOW-UHFFFAOYSA-N	-1	1	310.269	2.064	50	5		DEBAMM
O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1C=C([O-])c1ccncc1	ZINC000018057753	182091408	/nfs/dbraw/zinc/09/14/08/182091408.db2.gz	WFSYDFPDASZSJA-UHFFFAOYSA-N	-1	1	310.269	2.064	50	5		DEBAMM
O=C([O-])c1cc(=O)c2c3nc4ccccc4oc-3cc(=O)c2[nH]1	ZINC000011616009	304226506	/nfs/dbraw/zinc/22/65/06/304226506.db2.gz	OKPNYGAWTYOBFZ-UHFFFAOYSA-N	-1	1	308.249	2.245	50	5	in-man	DEBAMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2nc3ccccc3[n-]2)c1	ZINC000005214514	181217462	/nfs/dbraw/zinc/21/74/62/181217462.db2.gz	AZKPYMWJBZXZDF-UHFFFAOYSA-N	-1	1	319.298	2.239	50	5		DEBAMM
Cn1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c2ccccc21	ZINC000008994522	401758807	/nfs/dbraw/zinc/75/88/07/401758807.db2.gz	DPGUJUVABCSAOV-SREVYHEPSA-N	-1	1	312.285	2.046	50	5		DEBAMM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000025075204	401830982	/nfs/dbraw/zinc/83/09/82/401830982.db2.gz	MWXPPZARWSMLCS-UHFFFAOYSA-N	-1	1	322.298	2.094	50	5		DEBAMM
Cc1cc(N)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000725373829	777681009	/nfs/dbraw/zinc/68/10/09/777681009.db2.gz	XPHHBLPWEYRBBH-UHFFFAOYSA-N	-1	1	307.331	2.286	50	5		DEBAMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1	ZINC000004702870	181139890	/nfs/dbraw/zinc/13/98/90/181139890.db2.gz	BAHFVGVMRKNUNA-UHFFFAOYSA-N	-1	1	322.298	2.124	50	5		DEBAMM
CCO[N-]C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	ZINC000024663814	401829621	/nfs/dbraw/zinc/82/96/21/401829621.db2.gz	NWWHGZJKFNUCEP-ZFWWWQNUSA-N	-1	1	319.361	2.194	50	5		DEBAMM
O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)C2CC2)c1	ZINC000340723984	132166677	/nfs/dbraw/zinc/16/66/77/132166677.db2.gz	LJDUORNRRAFOSS-UHFFFAOYSA-N	-1	1	321.152	2.261	50	5		DEBAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000006897784	401734099	/nfs/dbraw/zinc/73/40/99/401734099.db2.gz	XZSBMFSXRZOJBZ-UHFFFAOYSA-N	-1	1	308.315	2.404	50	5		DEBAMM
CCCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1	ZINC000009010308	401758821	/nfs/dbraw/zinc/75/88/21/401758821.db2.gz	KUYFFVQJTNDCBI-VMPITWQZSA-N	-1	1	317.301	2.343	50	5		DEBAMM
CCCc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1	ZINC000120044141	355789507	/nfs/dbraw/zinc/78/95/07/355789507.db2.gz	DICIOWAZPVBCEW-UHFFFAOYSA-N	-1	1	316.364	2.133	50	5		DEBAMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)s1	ZINC000063186811	184276871	/nfs/dbraw/zinc/27/68/71/184276871.db2.gz	BEMGEIAKTYVJIN-MNOVXSKESA-N	-1	1	324.383	2.491	50	5		DEBAMM
CCO[N-]C(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	ZINC000024663808	401829915	/nfs/dbraw/zinc/82/99/15/401829915.db2.gz	NWWHGZJKFNUCEP-HIFRSBDPSA-N	-1	1	319.361	2.194	50	5		DEBAMM
O=c1[nH]n2c(-c3cccc([N+](=O)[O-])c3)nc([O-])c2c2ccccc12	ZINC000103500735	424848650	/nfs/dbraw/zinc/84/86/50/424848650.db2.gz	ZXLAKKYGEFGKDI-UHFFFAOYSA-N	-1	1	322.280	2.457	50	5		DEBAMM
Cc1cc(C)[nH]c(=N[N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])n1	ZINC000004904121	301265481	/nfs/dbraw/zinc/26/54/81/301265481.db2.gz	DKOLXCGPODXZPR-UHFFFAOYSA-N	-1	1	304.266	2.349	50	5		DEBAMM
Cc1ccccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000016496777	182047881	/nfs/dbraw/zinc/04/78/81/182047881.db2.gz	NRZTUBYELYABLQ-JTQLQIEISA-N	-1	1	301.302	2.083	50	5		DEBAMM
CC1(C)CC(=O)C(C(=O)Cc2ccccc2[N+](=O)[O-])=C([O-])C1	ZINC000100705796	402142214	/nfs/dbraw/zinc/14/22/14/402142214.db2.gz	BUTJQHLFOBATMI-UHFFFAOYSA-N	-1	1	303.314	2.281	50	5		DEBAMM
COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000003832496	181048106	/nfs/dbraw/zinc/04/81/06/181048106.db2.gz	NHEAQAMNXXRBQT-UHFFFAOYSA-N	-1	1	308.315	2.404	50	5		DEBAMM
CCO[N-]C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	ZINC000036389839	401904870	/nfs/dbraw/zinc/90/48/70/401904870.db2.gz	NWWHGZJKFNUCEP-DZGCQCFKSA-N	-1	1	319.361	2.194	50	5		DEBAMM
O=C1[N-]C(=S)NC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000015219867	401816234	/nfs/dbraw/zinc/81/62/34/401816234.db2.gz	GPVFYSDCGZVELB-YFHOEESVSA-N	-1	1	315.310	2.200	50	5		DEBAMM
O=C([N-]c1nnc(-c2ccncc2)o1)c1ccccc1[N+](=O)[O-]	ZINC000004265067	181090040	/nfs/dbraw/zinc/09/00/40/181090040.db2.gz	YLMQUSPBDORKOL-UHFFFAOYSA-N	-1	1	311.257	2.292	50	5		DEBAMM
CN(CCc1cccs1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193646392	201093108	/nfs/dbraw/zinc/09/31/08/201093108.db2.gz	SOGWEBKFUUAOFO-UHFFFAOYSA-N	-1	1	307.331	2.072	50	5		DEBAMM
Cc1ccccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000016496775	182047830	/nfs/dbraw/zinc/04/78/30/182047830.db2.gz	NRZTUBYELYABLQ-SNVBAGLBSA-N	-1	1	301.302	2.083	50	5		DEBAMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000000360220	190613586	/nfs/dbraw/zinc/61/35/86/190613586.db2.gz	MPEOZHVCSITNIW-UHFFFAOYSA-N	-1	1	308.315	2.404	50	5		DEBAMM
Cc1cnccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000072281366	191101423	/nfs/dbraw/zinc/10/14/23/191101423.db2.gz	UKENHOHGKIZPDJ-UHFFFAOYSA-N	-1	1	307.331	2.407	50	5		DEBAMM
CC(C)Oc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1	ZINC000009010339	401758779	/nfs/dbraw/zinc/75/87/79/401758779.db2.gz	NKEUYHCQYYAMSS-VMPITWQZSA-N	-1	1	317.301	2.341	50	5		DEBAMM
O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc2[nH]cnc21	ZINC000010003409	401767393	/nfs/dbraw/zinc/76/73/93/401767393.db2.gz	WHKVCAGKGQNACH-UHFFFAOYSA-N	-1	1	303.303	2.259	50	5		DEBAMM
C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)c(F)c1	ZINC000015611644	401818148	/nfs/dbraw/zinc/81/81/48/401818148.db2.gz	HQQKVLLHFLKZFG-ZETCQYMHSA-N	-1	1	323.255	2.052	50	5		DEBAMM
Cc1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1	ZINC000193537714	201070596	/nfs/dbraw/zinc/07/05/96/201070596.db2.gz	JWDSXGRXUKDLGD-UHFFFAOYSA-N	-1	1	307.331	2.338	50	5		DEBAMM
O=C1[N-]C(=S)NC1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000012428906	401785877	/nfs/dbraw/zinc/78/58/77/401785877.db2.gz	FRHFXSMLBDTBLY-XFFZJAGNSA-N	-1	1	315.310	2.200	50	5		DEBAMM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC(F)F)c1	ZINC000096001987	402045461	/nfs/dbraw/zinc/04/54/61/402045461.db2.gz	JKKPFTOGTVXQGH-UHFFFAOYSA-N	-1	1	314.697	2.100	50	5		DEBAMM
CN(C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000067907	401687791	/nfs/dbraw/zinc/68/77/91/401687791.db2.gz	OKKCBEJIMTWMRR-UHFFFAOYSA-N	-1	1	321.358	2.462	50	5		DEBAMM
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000198659	401690010	/nfs/dbraw/zinc/69/00/10/401690010.db2.gz	PGNXXIOBJLPXFL-UHFFFAOYSA-N	-1	1	308.315	2.404	50	5		DEBAMM
C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cc1	ZINC000015611612	401818339	/nfs/dbraw/zinc/81/83/39/401818339.db2.gz	VSHXHYCNBZRWQG-QMMMGPOBSA-N	-1	1	321.720	2.428	50	5		DEBAMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)s1	ZINC000067877176	402176911	/nfs/dbraw/zinc/17/69/11/402176911.db2.gz	BEMGEIAKTYVJIN-GHMZBOCLSA-N	-1	1	324.383	2.491	50	5		DEBAMM