smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc(O)c1I	ZINC000038880337	304806800	/nfs/dbraw/zinc/80/68/00/304806800.db2.gz	BFXOSMOZBIBXHU-UHFFFAOYSA-N	0	2	265.006	1.905	50	5		CDBALN
O=c1[nH]nc(SCCc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000194640860	358529031	/nfs/dbraw/zinc/52/90/31/358529031.db2.gz	YEYXBZJOVYQOCA-UHFFFAOYSA-N	0	2	266.282	1.753	50	5		CDBALN
Cc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-]	ZINC000000032990	390679307	/nfs/dbraw/zinc/67/93/07/390679307.db2.gz	XCCZFOBFTQIDBX-WPRPVWTQSA-N	0	2	268.294	1.691	50	5		CDBALN
O=C(NCc1ncccc1F)c1ccc([N+](=O)[O-])cc1O	ZINC000096012464	185065702	/nfs/dbraw/zinc/06/57/02/185065702.db2.gz	LCBNRSXSCHONFI-UHFFFAOYSA-N	0	2	291.238	1.765	50	5		CDBALN
O=C(CCn1cccn1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000089531025	360357718	/nfs/dbraw/zinc/35/77/18/360357718.db2.gz	DVOPLSHIFUJUDL-UHFFFAOYSA-N	0	2	276.252	1.526	50	5		CDBALN
O=C(NC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1O	ZINC000279731318	374954093	/nfs/dbraw/zinc/95/40/93/374954093.db2.gz	JIBHPVYRZOPRNO-MRVPVSSYSA-N	0	2	282.321	1.783	50	5		CDBALN
Cc1nn(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000014248765	366141057	/nfs/dbraw/zinc/14/10/57/366141057.db2.gz	KGAZKQIHGPWNKR-UHFFFAOYSA-N	0	2	296.308	1.438	50	5		CDBALN
O=C([O-])c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c[nH+]1	ZINC000019938812	374828687	/nfs/dbraw/zinc/82/86/87/374828687.db2.gz	UPIZWJWISGSJLO-UHFFFAOYSA-N	0	2	276.252	1.671	50	5		CDBALN
O=C([O-])c1cc([N+](=O)[O-])ccc1NCCc1c[nH+]c[nH]1	ZINC000019938812	374828690	/nfs/dbraw/zinc/82/86/90/374828690.db2.gz	UPIZWJWISGSJLO-UHFFFAOYSA-N	0	2	276.252	1.671	50	5		CDBALN
C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000245344148	378072858	/nfs/dbraw/zinc/07/28/58/378072858.db2.gz	XVIXDFZUPCBFAR-SUNKGSAMSA-N	0	2	289.335	1.913	50	5		CDBALN
Cn1cc[nH+]c1CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000097052537	390664800	/nfs/dbraw/zinc/66/48/00/390664800.db2.gz	YLMZPJDUEZPJRU-UHFFFAOYSA-N	0	2	290.279	1.006	50	5		CDBALN
O=C([O-])[C@@H]1CS[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000000077901	358251662	/nfs/dbraw/zinc/25/16/62/358251662.db2.gz	WHEHQPOUIXMETN-DTWKUNHWSA-N	0	2	254.267	1.383	50	5		CDBALN
O=[N+]([O-])c1ccc2c(O)c([N+](=O)[O-])c(O)nc2c1	ZINC000012375211	374493286	/nfs/dbraw/zinc/49/32/86/374493286.db2.gz	LVOGPGRZRLTBCB-UHFFFAOYSA-N	0	2	251.154	1.462	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Cl)c2)[nH]1	ZINC000030840538	375680059	/nfs/dbraw/zinc/68/00/59/375680059.db2.gz	NJFTZSDGBXWXJT-PLNGDYQASA-N	0	2	293.666	1.795	50	5		CDBALN
Cn1ccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1	ZINC000097101029	397966863	/nfs/dbraw/zinc/96/68/63/397966863.db2.gz	IEDITPNOHZZWMP-UHFFFAOYSA-N	0	2	276.252	1.215	50	5		CDBALN
O=C(NCCc1nccs1)c1ccc([N+](=O)[O-])cc1O	ZINC000097097231	397959070	/nfs/dbraw/zinc/95/90/70/397959070.db2.gz	MBLAUBJJSOOKQY-UHFFFAOYSA-N	0	2	293.304	1.729	50	5		CDBALN
Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)c([N+](=O)[O-])c1	ZINC000090230732	367027558	/nfs/dbraw/zinc/02/75/58/367027558.db2.gz	ZWYUFQIAFLTYGK-UHFFFAOYSA-N	0	2	282.281	1.427	50	5		CDBALN
Cn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000116659	303067657	/nfs/dbraw/zinc/06/76/57/303067657.db2.gz	GLNHJEFZYREVRR-UHFFFAOYSA-N	0	2	282.281	1.129	50	5		CDBALN
Nc1ncnc(Nc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000004059575	230368054	/nfs/dbraw/zinc/36/80/54/230368054.db2.gz	JVCIWVAWDASKJR-UHFFFAOYSA-N	0	2	276.212	1.619	50	5		CDBALN
O=C(NC1CCCC1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000035362632	391218700	/nfs/dbraw/zinc/21/87/00/391218700.db2.gz	NIPVJPBRODOVKO-UHFFFAOYSA-N	0	2	250.254	1.973	50	5		CDBALN
O=[N+]([O-])c1ccc(I)cc1O	ZINC000034224533	304802907	/nfs/dbraw/zinc/80/29/07/304802907.db2.gz	NWDXJGPGCDHUJO-UHFFFAOYSA-N	0	2	265.006	1.905	50	5		CDBALN
Nc1nc(O)c(Sc2ccccc2[N+](=O)[O-])c(=O)[nH]1	ZINC000005071723	360168951	/nfs/dbraw/zinc/16/89/51/360168951.db2.gz	WGPCNWAIOHJDGG-UHFFFAOYSA-N	0	2	280.265	1.117	50	5		CDBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO1	ZINC000019991903	227362922	/nfs/dbraw/zinc/36/29/22/227362922.db2.gz	CTAHUEVTRDBKHX-JTQLQIEISA-N	0	2	252.226	1.418	50	5		CDBALN
Cn1nccc1CCNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097097839	375147809	/nfs/dbraw/zinc/14/78/09/375147809.db2.gz	KVFVJZIELZTELZ-UHFFFAOYSA-N	0	2	290.279	1.006	50	5		CDBALN
Nc1ccc2nn(-c3cc([N+](=O)[O-])ccc3O)nc2c1	ZINC000036162515	303498882	/nfs/dbraw/zinc/49/88/82/303498882.db2.gz	ILUKYDTWSCCIQJ-UHFFFAOYSA-N	0	2	271.236	1.617	50	5		CDBALN
O=C(Nc1cccc(Cl)c1O)c1n[nH]cc1[N+](=O)[O-]	ZINC000095978674	185052318	/nfs/dbraw/zinc/05/23/18/185052318.db2.gz	UJWICXLFISMXKJ-UHFFFAOYSA-N	0	2	282.643	1.929	50	5		CDBALN
O=c1[nH]nc(SCc2c(F)cccc2[N+](=O)[O-])c(=O)[nH]1	ZINC000000138689	359143339	/nfs/dbraw/zinc/14/33/39/359143339.db2.gz	MZURROZYMGEZGH-UHFFFAOYSA-N	0	2	298.255	1.210	50	5		CDBALN
N=C1NC(=O)C(CC(=O)Nc2cccc([N+](=O)[O-])c2)S1	ZINC000018137552	374035489	/nfs/dbraw/zinc/03/54/89/374035489.db2.gz	VJSSGAAKNJWHBT-MRVPVSSYSA-N	0	2	294.292	1.090	50	5		CDBALN
N=C1NC(=O)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S1	ZINC000018137552	374035507	/nfs/dbraw/zinc/03/55/07/374035507.db2.gz	VJSSGAAKNJWHBT-MRVPVSSYSA-N	0	2	294.292	1.090	50	5		CDBALN
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N(C)C1=S	ZINC000035349218	289790302	/nfs/dbraw/zinc/79/03/02/289790302.db2.gz	IKYDEVXECLBIJQ-TWGQIWQCSA-N	0	2	293.304	1.330	50	5		CDBALN
Cc1cc(C)n(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1	ZINC000092547689	374698483	/nfs/dbraw/zinc/69/84/83/374698483.db2.gz	MKIPDZWBUAAUMQ-UHFFFAOYSA-N	0	2	290.279	1.752	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)cc2)[nH]1	ZINC000004891479	170036762	/nfs/dbraw/zinc/03/67/62/170036762.db2.gz	IXRBZNCTCYNHKP-ZZXKWVIFSA-N	0	2	275.220	1.260	50	5		CDBALN
Cc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-]	ZINC000000032989	482456626	/nfs/dbraw/zinc/45/66/26/482456626.db2.gz	XCCZFOBFTQIDBX-PSASIEDQSA-N	0	2	268.294	1.691	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(F)c2)[nH]1	ZINC000015009203	365068802	/nfs/dbraw/zinc/06/88/02/365068802.db2.gz	AEWZUNRDZSLGDO-SNAWJCMRSA-N	0	2	277.211	1.693	50	5		CDBALN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2cnccc21	ZINC000096454968	304531292	/nfs/dbraw/zinc/53/12/92/304531292.db2.gz	MCLQFLLCGFDAOC-UHFFFAOYSA-N	0	2	285.259	1.898	50	5		CDBALN
Cc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000002865402	169838648	/nfs/dbraw/zinc/83/86/48/169838648.db2.gz	GDPNLPBBDUFJTI-UHFFFAOYSA-N	0	2	294.292	1.494	50	5		CDBALN
O=c1[nH]nc(CSc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000005731159	170134573	/nfs/dbraw/zinc/13/45/73/170134573.db2.gz	HOYGURFBUZNFIU-UHFFFAOYSA-N	0	2	252.255	1.299	50	5		CDBALN
Cn1c2ccc(C(F)(F)F)cc2nc2c(=O)[nH]c(=O)nc1-2	ZINC000006659219	170223172	/nfs/dbraw/zinc/22/31/72/170223172.db2.gz	KCDITQBGZLRTBX-UHFFFAOYSA-N	0	2	296.208	1.140	50	5		CDBALN
CS(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000001218405	411623207	/nfs/dbraw/zinc/62/32/07/411623207.db2.gz	QMUPVLWZTBOZNA-UHFFFAOYSA-N	0	2	273.295	1.576	50	5		CDBALN
Cc1ccc([N+](=O)[O-])cc1[C@H]1[NH2+][C@H](C(=O)[O-])CS1	ZINC000004357726	301869314	/nfs/dbraw/zinc/86/93/14/301869314.db2.gz	HFAXIVVNHIWLLO-UWVGGRQHSA-N	0	2	268.294	1.691	50	5		CDBALN
Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1C	ZINC000089531270	360357940	/nfs/dbraw/zinc/35/79/40/360357940.db2.gz	VFIVRXONWODLJY-UHFFFAOYSA-N	0	2	276.252	1.595	50	5		CDBALN
Cc1ccc([N+](=O)[O-])cc1[C@@H]1[NH2+][C@@H](C(=O)[O-])CS1	ZINC000004357730	301867593	/nfs/dbraw/zinc/86/75/93/301867593.db2.gz	HFAXIVVNHIWLLO-NXEZZACHSA-N	0	2	268.294	1.691	50	5		CDBALN
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	ZINC000018227584	362468504	/nfs/dbraw/zinc/46/85/04/362468504.db2.gz	LGUKSUMQFBALJX-NXEZZACHSA-N	0	2	288.259	1.756	50	5		CDBALN
COCCn1cc([N+](=O)[O-])s/c1=N\C(=O)C(C)(C)C	ZINC000044124905	175143748	/nfs/dbraw/zinc/14/37/48/175143748.db2.gz	FGDVWFYNIWFSQM-BENRWUELSA-N	0	2	287.341	1.578	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2F)[nH]1	ZINC000030840531	375679349	/nfs/dbraw/zinc/67/93/49/375679349.db2.gz	WTMMNABBVHOZLT-WAYWQWQTSA-N	0	2	277.211	1.281	50	5		CDBALN
Cn1cc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1	ZINC000097101062	323207499	/nfs/dbraw/zinc/20/74/99/323207499.db2.gz	NSESHQYENXFZKN-UHFFFAOYSA-N	0	2	276.252	1.215	50	5		CDBALN
O=[N+]([O-])c1ccc(I)c(O)c1	ZINC000060007417	356389818	/nfs/dbraw/zinc/38/98/18/356389818.db2.gz	KUACYTMKOLNBNK-UHFFFAOYSA-N	0	2	265.006	1.905	50	5		CDBALN
C[C@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	ZINC000123524532	424388527	/nfs/dbraw/zinc/38/85/27/424388527.db2.gz	SOQOKPJREONSQL-AWEZNQCLSA-N	0	2	294.307	1.535	50	5		CDBALN
CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000252495684	295539014	/nfs/dbraw/zinc/53/90/14/295539014.db2.gz	OWFMTTDOFPVFBH-UHFFFAOYSA-N	0	2	284.215	1.985	50	5		CDBALN
O=C(NCCc1cscn1)c1ccc([N+](=O)[O-])cc1O	ZINC000097373277	323207791	/nfs/dbraw/zinc/20/77/91/323207791.db2.gz	BLCFWSCYPFRHCA-UHFFFAOYSA-N	0	2	293.304	1.729	50	5		CDBALN
O=C(C[C@H]1SC(=O)NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000001238412	375077195	/nfs/dbraw/zinc/07/71/95/375077195.db2.gz	HVGXTCMOMGFTPO-MRVPVSSYSA-N	0	2	295.276	1.275	50	5		CDBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncccn1	ZINC000000368781	359589811	/nfs/dbraw/zinc/58/98/11/359589811.db2.gz	WGADSIIOWABKSF-UHFFFAOYSA-N	0	2	280.265	1.186	50	5		CDBALN
O=C([O-])c1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000035655289	172331507	/nfs/dbraw/zinc/33/15/07/172331507.db2.gz	VDPGIWQEDKGCRZ-UHFFFAOYSA-N	0	2	290.279	1.992	50	5		CDBALN
N=C1NC(=O)C(CC(=O)Nc2ccccc2[N+](=O)[O-])S1	ZINC000004535071	356389917	/nfs/dbraw/zinc/38/99/17/356389917.db2.gz	BGWSFUYHQPWBFM-QMMMGPOBSA-N	0	2	294.292	1.090	50	5		CDBALN
N=C1NC(=O)[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])S1	ZINC000004535071	356389920	/nfs/dbraw/zinc/38/99/20/356389920.db2.gz	BGWSFUYHQPWBFM-QMMMGPOBSA-N	0	2	294.292	1.090	50	5		CDBALN
O=c1[nH]c(=O)c(Cc2ccccc2[N+](=O)[O-])c(O)[nH]1	ZINC000001314364	375688036	/nfs/dbraw/zinc/68/80/36/375688036.db2.gz	FBYORWIZWPXKOM-UHFFFAOYSA-N	0	2	263.209	1.092	50	5		CDBALN
CCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000004526682	356384000	/nfs/dbraw/zinc/38/40/00/356384000.db2.gz	IOLWFDYNUYRKJF-UHFFFAOYSA-N	0	2	274.298	1.842	50	5		CDBALN
Cc1n[nH]c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000097052549	390664682	/nfs/dbraw/zinc/66/46/82/390664682.db2.gz	DGRVGELACGJTKS-UHFFFAOYSA-N	0	2	290.279	1.570	50	5		CDBALN
O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2cnccc21	ZINC000118942625	424197206	/nfs/dbraw/zinc/19/72/06/424197206.db2.gz	BJNCROXEOIVTHN-UHFFFAOYSA-N	0	2	285.259	1.898	50	5		CDBALN
O=C([O-])[C@H]1CS[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000000077892	358251271	/nfs/dbraw/zinc/25/12/71/358251271.db2.gz	WHEHQPOUIXMETN-BDAKNGLRSA-N	0	2	254.267	1.383	50	5		CDBALN
Cc1n[nH]c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000097079703	302477342	/nfs/dbraw/zinc/47/73/42/302477342.db2.gz	GFUMKKLXBUIYQB-UHFFFAOYSA-N	0	2	276.252	1.893	50	5		CDBALN
COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	ZINC000280273591	374990470	/nfs/dbraw/zinc/99/04/70/374990470.db2.gz	ZSMBDEAOMMVYLG-UHFFFAOYSA-N	0	2	294.263	1.078	50	5		CDBALN
O=C1Nc2cc([N+](=O)[O-])ccc2O[C@@]1(O)C(F)(F)F	ZINC000002492377	375172034	/nfs/dbraw/zinc/17/20/34/375172034.db2.gz	CATUPQKMCLYNGQ-MRVPVSSYSA-N	0	2	278.142	1.177	50	5		CDBALN
Cc1ccc([N+](=O)[O-])cc1[C@@H]1[NH2+][C@H](C(=O)[O-])CS1	ZINC000004357723	301867586	/nfs/dbraw/zinc/86/75/86/301867586.db2.gz	HFAXIVVNHIWLLO-VHSXEESVSA-N	0	2	268.294	1.691	50	5		CDBALN
Cc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)no1	ZINC000097373308	323207927	/nfs/dbraw/zinc/20/79/27/323207927.db2.gz	RACROIDKHBDXGW-UHFFFAOYSA-N	0	2	291.263	1.869	50	5		CDBALN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cnn(C)c1	ZINC000195567468	358566355	/nfs/dbraw/zinc/56/63/55/358566355.db2.gz	BSFAGYMPGFURMX-MRVPVSSYSA-N	0	2	290.279	1.525	50	5		CDBALN
O=C(NC(=O)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1	ZINC000001470907	361270516	/nfs/dbraw/zinc/27/05/16/361270516.db2.gz	NBWFHDXHFBWFPN-UHFFFAOYSA-N	0	2	277.158	1.805	50	5		CDBALN
Nc1ncnc(Nc2c(F)cccc2F)c1[N+](=O)[O-]	ZINC000003912581	365410970	/nfs/dbraw/zinc/41/09/70/365410970.db2.gz	MXBSZEMPZJIZHM-UHFFFAOYSA-N	0	2	267.195	1.989	50	5		CDBALN
O=[N+]([O-])c1c(O)cccc1I	ZINC000091252305	304798446	/nfs/dbraw/zinc/79/84/46/304798446.db2.gz	DVEGEGXFFSZLBG-UHFFFAOYSA-N	0	2	265.006	1.905	50	5		CDBALN
CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000128490582	323210246	/nfs/dbraw/zinc/21/02/46/323210246.db2.gz	JIUWUCSKWQIXBZ-UHFFFAOYSA-N	0	2	290.279	1.306	50	5		CDBALN
N=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1	ZINC000018191526	303232202	/nfs/dbraw/zinc/23/22/02/303232202.db2.gz	DKWXGSWXVDOMJH-YWEYNIOJSA-N	0	2	265.250	1.439	50	5		CDBALN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	ZINC000037183540	173015483	/nfs/dbraw/zinc/01/54/83/173015483.db2.gz	XSQOHEZHSHGMRJ-SSDOTTSWSA-N	0	2	250.254	1.829	50	5		CDBALN
CONC(=O)Cn1c2ccccc2c(=O)c2ccccc21	ZINC000012790712	293372240	/nfs/dbraw/zinc/37/22/40/293372240.db2.gz	CREYERDSJZYWPJ-UHFFFAOYSA-N	0	2	282.299	1.832	50	5		CDBALN
N=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)S1	ZINC000004991718	303232476	/nfs/dbraw/zinc/23/24/76/303232476.db2.gz	FVSCNLHHHWANGE-XBXARRHUSA-N	0	2	265.250	1.439	50	5		CDBALN
COc1ccc(CSCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-]	ZINC000006673690	170224911	/nfs/dbraw/zinc/22/49/11/170224911.db2.gz	YEIKVRVZNQXQIW-UHFFFAOYSA-N	0	2	296.308	1.448	50	5		CDBALN
CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000013511363	289855939	/nfs/dbraw/zinc/85/59/39/289855939.db2.gz	CIQJANBBLHBHSL-WEVVVXLNSA-N	0	2	280.261	1.967	50	5		CDBALN
C[C@@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	ZINC000123524742	424389686	/nfs/dbraw/zinc/38/96/86/424389686.db2.gz	SOQOKPJREONSQL-CQSZACIVSA-N	0	2	294.307	1.535	50	5		CDBALN
O=C(Cc1cccnc1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000092546836	374698137	/nfs/dbraw/zinc/69/81/37/374698137.db2.gz	OUOAXSJRMSZKJU-UHFFFAOYSA-N	0	2	273.248	1.877	50	5		CDBALN
O=c1[nH]nc(SCc2cc(F)ccc2[N+](=O)[O-])[nH]1	ZINC000194633596	392827600	/nfs/dbraw/zinc/82/76/00/392827600.db2.gz	ACVVOQNNHJBIOK-UHFFFAOYSA-N	0	2	270.245	1.850	50	5		CDBALN
COc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1	ZINC000033396053	358955090	/nfs/dbraw/zinc/95/50/90/358955090.db2.gz	HZHRPAGNRIOZKF-WAYWQWQTSA-N	0	2	289.247	1.563	50	5		CDBALN
O=[N+]([O-])c1cc(CSc2nc[nH]n2)ccc1O	ZINC000018130294	374035725	/nfs/dbraw/zinc/03/57/25/374035725.db2.gz	CXXAUUSUQKWGLH-UHFFFAOYSA-N	0	2	252.255	1.711	50	5		CDBALN
O=c1[nH]nc(CSCc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000006058579	170172629	/nfs/dbraw/zinc/17/26/29/170172629.db2.gz	UBTURTVEQACBKX-UHFFFAOYSA-N	0	2	266.282	1.440	50	5		CDBALN
O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccon1	ZINC000095995616	185060418	/nfs/dbraw/zinc/06/04/18/185060418.db2.gz	MCZRVORSUKRIME-UHFFFAOYSA-N	0	2	297.292	1.567	50	5		CDBALN
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)no1	ZINC000120279720	301361818	/nfs/dbraw/zinc/36/18/18/301361818.db2.gz	MBKHEQNDRCDXJK-UHFFFAOYSA-N	0	2	263.209	1.849	50	5		CDBALN
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@]1(O)C(F)(F)F	ZINC000004693866	357760229	/nfs/dbraw/zinc/76/02/29/357760229.db2.gz	YZRUAOYVUOZCDK-MRVPVSSYSA-N	0	2	278.142	1.177	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)cc2)[nH]1	ZINC000033448895	359698522	/nfs/dbraw/zinc/69/85/22/359698522.db2.gz	IXRBZNCTCYNHKP-UTCJRWHESA-N	0	2	275.220	1.260	50	5		CDBALN
Cc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-]	ZINC000000032991	482456636	/nfs/dbraw/zinc/45/66/36/482456636.db2.gz	XCCZFOBFTQIDBX-WCBMZHEXSA-N	0	2	268.294	1.691	50	5		CDBALN
Cc1ccc([N+](=O)[O-])cc1[C@H]1[NH2+][C@@H](C(=O)[O-])CS1	ZINC000004357733	356315133	/nfs/dbraw/zinc/31/51/33/356315133.db2.gz	HFAXIVVNHIWLLO-ZJUUUORDSA-N	0	2	268.294	1.691	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccs2)[nH]1	ZINC000004501632	356373100	/nfs/dbraw/zinc/37/31/00/356373100.db2.gz	KUXHZZSVSVVOEG-ONEGZZNKSA-N	0	2	265.250	1.616	50	5		CDBALN
COc1ccccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000004612828	357232572	/nfs/dbraw/zinc/23/25/72/357232572.db2.gz	OGOZMUXGFMWISN-VOTSOKGWSA-N	0	2	289.247	1.563	50	5		CDBALN
Cc1ncsc1CNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097109059	357983669	/nfs/dbraw/zinc/98/36/69/357983669.db2.gz	WIKGAFZNOKLWMH-UHFFFAOYSA-N	0	2	293.304	1.995	50	5		CDBALN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)C1CC1	ZINC000035864430	360127327	/nfs/dbraw/zinc/12/73/27/360127327.db2.gz	AQKPAGBYVUJUNN-UHFFFAOYSA-N	0	2	281.293	1.523	50	5		CDBALN
Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000000267049	359413229	/nfs/dbraw/zinc/41/32/29/359413229.db2.gz	GPWKTNXKKSBWRP-UHFFFAOYSA-N	0	2	293.304	1.521	50	5		CDBALN
O=C(C[C@@H]1SC(=O)NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000001238411	375076844	/nfs/dbraw/zinc/07/68/44/375076844.db2.gz	HVGXTCMOMGFTPO-QMMMGPOBSA-N	0	2	295.276	1.275	50	5		CDBALN
Cc1ccnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000005331142	170086271	/nfs/dbraw/zinc/08/62/71/170086271.db2.gz	LYNOUFMNFAQQOH-UHFFFAOYSA-N	0	2	293.304	1.521	50	5		CDBALN
CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n(C)n1	ZINC000097097461	397959112	/nfs/dbraw/zinc/95/91/12/397959112.db2.gz	YRNPQBUUFMDRGS-UHFFFAOYSA-N	0	2	290.279	1.849	50	5		CDBALN
O=C(NCc1cscn1)c1cc([N+](=O)[O-])ccc1O	ZINC000097235706	342205610	/nfs/dbraw/zinc/20/56/10/342205610.db2.gz	SYFFVSFGDKSCAZ-UHFFFAOYSA-N	0	2	279.277	1.687	50	5		CDBALN
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)nn1C	ZINC000097097757	301361489	/nfs/dbraw/zinc/36/14/89/301361489.db2.gz	DGXJVDKMMVZMNE-UHFFFAOYSA-N	0	2	276.252	1.595	50	5		CDBALN
COc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1	ZINC000012371511	374494734	/nfs/dbraw/zinc/49/47/34/374494734.db2.gz	HZHRPAGNRIOZKF-AATRIKPKSA-N	0	2	289.247	1.975	50	5		CDBALN
O=C(NCc1ncccc1F)c1cc([N+](=O)[O-])ccc1O	ZINC000097052720	390664790	/nfs/dbraw/zinc/66/47/90/390664790.db2.gz	WXEYZNFXTNMQBE-UHFFFAOYSA-N	0	2	291.238	1.765	50	5		CDBALN
COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	ZINC000124474518	187139240	/nfs/dbraw/zinc/13/92/40/187139240.db2.gz	UDCLLDJBPDFGPB-SNVBAGLBSA-N	0	2	280.280	1.455	50	5		CDBALN
Cc1ccsc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000015009235	366030508	/nfs/dbraw/zinc/03/05/08/366030508.db2.gz	PIVANJNCMHZARN-NSCUHMNNSA-N	0	2	279.277	1.924	50	5		CDBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2)cc1	ZINC000000255529	359400467	/nfs/dbraw/zinc/40/04/67/359400467.db2.gz	CZRISBMGZLRLED-UHFFFAOYSA-N	0	2	279.277	1.791	50	5		CDBALN
Cn1c2ccccc2c(Cl)c2c(=O)[nH]c(=O)nc1-2	ZINC000066339769	374315053	/nfs/dbraw/zinc/31/50/53/374315053.db2.gz	WHSUEMUITSWYPN-UHFFFAOYSA-N	0	2	261.668	1.380	50	5		CDBALN
COC(=O)c1c(O)c([N+](=O)[O-])cc(Br)c1F	ZINC000169800514	392380558	/nfs/dbraw/zinc/38/05/58/392380558.db2.gz	SVVHWSJBDAXMOR-UHFFFAOYSA-N	0	2	294.032	1.989	50	5		CDBALN
CCCCCN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])c(O)c1	ZINC000097052971	185517428	/nfs/dbraw/zinc/51/74/28/185517428.db2.gz	RWCSGRJGMORDQF-CQSZACIVSA-N	0	2	293.323	1.921	50	5		CDBALN
COC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	ZINC000113435624	374254940	/nfs/dbraw/zinc/25/49/40/374254940.db2.gz	DETKWRJPNPQDRP-SNVBAGLBSA-N	0	2	294.307	1.799	50	5		CDBALN
Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1[N+](=O)[O-]	ZINC000003832978	375801305	/nfs/dbraw/zinc/80/13/05/375801305.db2.gz	WJZMWXPOPYYVGC-UHFFFAOYSA-N	0	2	293.304	1.521	50	5		CDBALN
O=C(NCCc1ccc[nH]1)c1cc([N+](=O)[O-])ccc1O	ZINC000097052745	390664675	/nfs/dbraw/zinc/66/46/75/390664675.db2.gz	BMXZDZUUCRTUTK-UHFFFAOYSA-N	0	2	275.264	1.601	50	5		CDBALN
CCN(CC)C(=O)c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000012411559	374500445	/nfs/dbraw/zinc/50/04/45/374500445.db2.gz	QQNWEOUFKVFKEU-UHFFFAOYSA-N	0	2	268.269	1.791	50	5		CDBALN
N=C1NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2)S1	ZINC000018106275	373989490	/nfs/dbraw/zinc/98/94/90/373989490.db2.gz	TZUFCYVGNXOWGZ-MRVPVSSYSA-N	0	2	294.292	1.090	50	5		CDBALN
N=C1NC(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)S1	ZINC000018106275	373989498	/nfs/dbraw/zinc/98/94/98/373989498.db2.gz	TZUFCYVGNXOWGZ-MRVPVSSYSA-N	0	2	294.292	1.090	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2O)[nH]1	ZINC000003898357	169922299	/nfs/dbraw/zinc/92/22/99/169922299.db2.gz	ZRWFODUHPFTRCH-AATRIKPKSA-N	0	2	275.220	1.260	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(F)cc2)[nH]1	ZINC000004501607	356371225	/nfs/dbraw/zinc/37/12/25/356371225.db2.gz	VRYZGNADRIKCIK-ZZXKWVIFSA-N	0	2	277.211	1.693	50	5		CDBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccnc1	ZINC000002742776	375308964	/nfs/dbraw/zinc/30/89/64/375308964.db2.gz	SXYPIRRJAYPWJM-UHFFFAOYSA-N	0	2	279.277	1.791	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2F)[nH]1	ZINC000013593336	357189555	/nfs/dbraw/zinc/18/95/55/357189555.db2.gz	WTMMNABBVHOZLT-AATRIKPKSA-N	0	2	277.211	1.281	50	5		CDBALN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cnn(C)c1	ZINC000195567469	323572436	/nfs/dbraw/zinc/57/24/36/323572436.db2.gz	BSFAGYMPGFURMX-QMMMGPOBSA-N	0	2	290.279	1.525	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2)[nH]1	ZINC000004071054	230368380	/nfs/dbraw/zinc/36/83/80/230368380.db2.gz	ITFUSTYTUCGMEV-VOTSOKGWSA-N	0	2	259.221	1.554	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2c[nH]c3ccccc23)[nH]1	ZINC000013616843	357198241	/nfs/dbraw/zinc/19/82/41/357198241.db2.gz	NNYBAUSTLGTEJW-WAYWQWQTSA-N	0	2	298.258	1.623	50	5		CDBALN
C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOC1	ZINC000127829043	390799613	/nfs/dbraw/zinc/79/96/13/390799613.db2.gz	ZOCMDCPIMYHBPW-GFCCVEGCSA-N	0	2	266.253	1.209	50	5		CDBALN
CCOC(=O)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1	ZINC000006016451	170168437	/nfs/dbraw/zinc/16/84/37/170168437.db2.gz	ZAJTVVHEPICRJN-UHFFFAOYSA-N	0	2	263.209	1.420	50	5		CDBALN
O=C([O-])[C@@H]1CS[C@@H](c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000000077921	358254338	/nfs/dbraw/zinc/25/43/38/358254338.db2.gz	SALHXESGFYVCIK-IUCAKERBSA-N	0	2	254.267	1.383	50	5		CDBALN
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	ZINC000018227586	374672362	/nfs/dbraw/zinc/67/23/62/374672362.db2.gz	LGUKSUMQFBALJX-UWVGGRQHSA-N	0	2	288.259	1.756	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(F)c2)[nH]1	ZINC000030840446	375679416	/nfs/dbraw/zinc/67/94/16/375679416.db2.gz	AEWZUNRDZSLGDO-PLNGDYQASA-N	0	2	277.211	1.281	50	5		CDBALN
O=c1c([N+](=O)[O-])c(/C=C/c2ccccc2)nc2nc[nH]n21	ZINC000110433889	342089496	/nfs/dbraw/zinc/08/94/96/342089496.db2.gz	RRYZRSFGPGRNEA-VOTSOKGWSA-N	0	2	283.247	1.496	50	5		CDBALN
CCCCCN1CC(=O)N[C@@H]1c1ccc([N+](=O)[O-])c(O)c1	ZINC000097052967	357936001	/nfs/dbraw/zinc/93/60/01/357936001.db2.gz	RWCSGRJGMORDQF-AWEZNQCLSA-N	0	2	293.323	1.921	50	5		CDBALN
Cc1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)Nc1cn[nH]c1	ZINC000095445272	374946550	/nfs/dbraw/zinc/94/65/50/374946550.db2.gz	GKTORIHUOYTAPN-UHFFFAOYSA-N	0	2	296.308	1.736	50	5		CDBALN
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003566088	375749811	/nfs/dbraw/zinc/74/98/11/375749811.db2.gz	MDYWMXIKJJCTJF-UHFFFAOYSA-N	0	2	296.308	1.736	50	5		CDBALN
CN(CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])c(O)c1	ZINC000095982346	185054243	/nfs/dbraw/zinc/05/42/43/185054243.db2.gz	KJXNZGQCAUWBAK-UHFFFAOYSA-N	0	2	295.339	1.647	50	5		CDBALN
O=[N+]([O-])c1cc(C(=S)N2CCOCC2)ccc1O	ZINC000004637319	357440177	/nfs/dbraw/zinc/44/01/77/357440177.db2.gz	JMOTZNZFPYISJB-UHFFFAOYSA-N	0	2	268.294	1.308	50	5		CDBALN
Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)on1	ZINC000097097107	397959131	/nfs/dbraw/zinc/95/91/31/397959131.db2.gz	FECIOMJTULOXJK-UHFFFAOYSA-N	0	2	277.236	1.527	50	5		CDBALN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1	ZINC000000183993	301433680	/nfs/dbraw/zinc/43/36/80/301433680.db2.gz	GSASPEJNWFVWQK-UHFFFAOYSA-N	0	2	293.304	1.521	50	5		CDBALN
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	ZINC000036386323	361922512	/nfs/dbraw/zinc/92/25/12/361922512.db2.gz	XSQOHEZHSHGMRJ-ZETCQYMHSA-N	0	2	250.254	1.829	50	5		CDBALN
Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000002775040	375323002	/nfs/dbraw/zinc/32/30/02/375323002.db2.gz	JQLCEJHPQNHQTF-UHFFFAOYSA-N	0	2	282.281	1.129	50	5		CDBALN
Cc1c(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cnn1C	ZINC000097235733	323207877	/nfs/dbraw/zinc/20/78/77/323207877.db2.gz	CEFIQEXCQVXMPZ-UHFFFAOYSA-N	0	2	290.279	1.272	50	5		CDBALN
CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)s1	ZINC000007348127	170278253	/nfs/dbraw/zinc/27/82/53/170278253.db2.gz	FWGJCFHBEVCPTF-UHFFFAOYSA-N	0	2	268.254	1.854	50	5		CDBALN
O=C(Nc1nnc([C@H]2CCCO2)o1)c1ccc([N+](=O)[O-])o1	ZINC000010970587	356664354	/nfs/dbraw/zinc/66/43/54/356664354.db2.gz	BGWCCKUMEPVFPM-SSDOTTSWSA-N	0	2	294.223	1.675	50	5		CDBALN
Cc1ccsc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000030840502	375679765	/nfs/dbraw/zinc/67/97/65/375679765.db2.gz	PIVANJNCMHZARN-IHWYPQMZSA-N	0	2	279.277	1.512	50	5		CDBALN
Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000004718878	170005066	/nfs/dbraw/zinc/00/50/66/170005066.db2.gz	AWMOERZTSKVOHN-VOTSOKGWSA-N	0	2	273.248	1.863	50	5		CDBALN
COc1cc2c(C)nc3c(=O)[nH][nH]c(=O)c3c2cc1OC	ZINC000018155457	295029242	/nfs/dbraw/zinc/02/92/42/295029242.db2.gz	FGNKGKYAOSQOJF-UHFFFAOYSA-N	0	2	287.275	1.503	50	5		CDBALN
Cc1ncc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)s1	ZINC000195567265	358566283	/nfs/dbraw/zinc/56/62/83/358566283.db2.gz	WQQLVHPYLUXUTK-UHFFFAOYSA-N	0	2	293.304	1.995	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccsc2)[nH]1	ZINC000004727566	170007155	/nfs/dbraw/zinc/00/71/55/170007155.db2.gz	DMNNYALXRUIKLT-OWOJBTEDSA-N	0	2	265.250	1.616	50	5		CDBALN
Cc1ccccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000015009214	366037816	/nfs/dbraw/zinc/03/78/16/366037816.db2.gz	QQAIMOQCZAPEJO-VOTSOKGWSA-N	0	2	273.248	1.863	50	5		CDBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nccs1	ZINC000000372363	359630444	/nfs/dbraw/zinc/63/04/44/359630444.db2.gz	NPGICNOVMMVHGL-UHFFFAOYSA-N	0	2	285.306	1.274	50	5		CDBALN
CS(=O)(=O)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000081570681	374521262	/nfs/dbraw/zinc/52/12/62/374521262.db2.gz	QIWORFNZDQMCIA-UHFFFAOYSA-N	0	2	295.114	1.729	50	5		CDBALN
Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])s1	ZINC000028630499	356723459	/nfs/dbraw/zinc/72/34/59/356723459.db2.gz	PODAGFGZRFSTMR-PLNGDYQASA-N	0	2	279.277	1.924	50	5		CDBALN
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n(C)n1	ZINC000089541111	360377079	/nfs/dbraw/zinc/37/70/79/360377079.db2.gz	BDIKTRWZDAPNKX-UHFFFAOYSA-N	0	2	276.252	1.595	50	5		CDBALN
O=C(NC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1O	ZINC000279731319	374953279	/nfs/dbraw/zinc/95/32/79/374953279.db2.gz	JIBHPVYRZOPRNO-QMMMGPOBSA-N	0	2	282.321	1.783	50	5		CDBALN
Cc1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1	ZINC000095408848	374911409	/nfs/dbraw/zinc/91/14/09/374911409.db2.gz	AOBLBKLTBDIUIO-UHFFFAOYSA-N	0	2	277.284	1.359	50	5		CDBALN
O=C([O-])[C@H]1CS[C@@H](c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000000077917	358247676	/nfs/dbraw/zinc/24/76/76/358247676.db2.gz	SALHXESGFYVCIK-BDAKNGLRSA-N	0	2	254.267	1.383	50	5		CDBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000000116946	359098796	/nfs/dbraw/zinc/09/87/96/359098796.db2.gz	CHSAAUUVOROZET-UHFFFAOYSA-N	0	2	280.265	1.186	50	5		CDBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncccn2)c1	ZINC000013948145	390635594	/nfs/dbraw/zinc/63/55/94/390635594.db2.gz	RMTMZLSPRPUKOS-UHFFFAOYSA-N	0	2	280.265	1.186	50	5		CDBALN
CCN1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)NC1=S	ZINC000004845929	170029859	/nfs/dbraw/zinc/02/98/59/170029859.db2.gz	BDWCOXVKNJGBQY-YVMONPNESA-N	0	2	293.304	1.378	50	5		CDBALN
O=[N+]([O-])c1c(O)nc2c(Br)cccc2c1O	ZINC000071253188	357277971	/nfs/dbraw/zinc/27/79/71/357277971.db2.gz	UTUOMEKCHNGHOP-UHFFFAOYSA-N	0	2	285.053	1.904	50	5		CDBALN
CCC(CCC(=O)OC)(CCC(=O)OC)[N+](=O)[O-]	ZINC000044125422	175143689	/nfs/dbraw/zinc/14/36/89/175143689.db2.gz	YTKRPDNROYTFHV-UHFFFAOYSA-N	0	2	261.274	1.318	50	5		CDBALN
O=C1NC(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)S1	ZINC000034911197	304656277	/nfs/dbraw/zinc/65/62/77/304656277.db2.gz	CNQAUUWTCOSDSC-XBXARRHUSA-N	0	2	266.234	1.624	50	5		CDBALN
O=[N+]([O-])c1ccc(-c2nc([C@H]3CCOC3)no2)cc1O	ZINC000097102711	397965892	/nfs/dbraw/zinc/96/58/92/397965892.db2.gz	YGZJPNKKXRCOQK-QMMMGPOBSA-N	0	2	277.236	1.854	50	5		CDBALN
O=C1Nc2cc([N+](=O)[O-])ccc2O[C@]1(O)C(F)(F)F	ZINC000002492376	518202547	/nfs/dbraw/zinc/20/25/47/518202547.db2.gz	CATUPQKMCLYNGQ-QMMMGPOBSA-N	0	2	278.142	1.177	50	5		CDBALN
O=C([O-])[C@H]1CS[C@H](c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000000077920	358251459	/nfs/dbraw/zinc/25/14/59/358251459.db2.gz	SALHXESGFYVCIK-RKDXNWHRSA-N	0	2	254.267	1.383	50	5		CDBALN
CCOC(=O)c1nc2cc([N+](=O)[O-])ccc2c(=O)[nH]1	ZINC000169105498	392596262	/nfs/dbraw/zinc/59/62/62/392596262.db2.gz	LKNRHKFKTSMVPE-UHFFFAOYSA-N	0	2	263.209	1.008	50	5		CDBALN
COc1nc(Nc2ccccc2[N+](=O)[O-])nc(OC)n1	ZINC000008132966	170320360	/nfs/dbraw/zinc/32/03/60/170320360.db2.gz	XTICTMRRDFLWTA-UHFFFAOYSA-N	0	2	277.240	1.541	50	5		CDBALN
O=c1nc2[nH]ccc(-c3ccc([N+](=O)[O-])cc3)c-2c(=O)[nH]1	ZINC000009419849	304813788	/nfs/dbraw/zinc/81/37/88/304813788.db2.gz	QHHQVPAPEVWSDD-UHFFFAOYSA-N	0	2	284.231	1.187	50	5		CDBALN
O=[N+]([O-])c1ccc(O)c(I)c1	ZINC000001726237	355949543	/nfs/dbraw/zinc/94/95/43/355949543.db2.gz	BKQFOYCEUMVWOW-UHFFFAOYSA-N	0	2	265.006	1.905	50	5		CDBALN
O=C(NCCc1ccc[nH]1)c1ccc([N+](=O)[O-])cc1O	ZINC000097109274	357984957	/nfs/dbraw/zinc/98/49/57/357984957.db2.gz	PZANDBAEDMYJFA-UHFFFAOYSA-N	0	2	275.264	1.601	50	5		CDBALN
O=C(Cn1cc(Cl)cn1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000035939883	360314360	/nfs/dbraw/zinc/31/43/60/360314360.db2.gz	CFKJVGRBROAHPG-UHFFFAOYSA-N	0	2	296.670	1.789	50	5		CDBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000000198656	375281695	/nfs/dbraw/zinc/28/16/95/375281695.db2.gz	CIASIHHEOGXVOM-UHFFFAOYSA-N	0	2	285.306	1.852	50	5	in-man	CDBALN
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1O	ZINC000096055647	285977571	/nfs/dbraw/zinc/97/75/71/285977571.db2.gz	YCORTVKYQADVAR-UHFFFAOYSA-N	0	2	277.236	1.663	50	5		CDBALN
O=C(C[C@H]1SC(=O)NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004151754	303653468	/nfs/dbraw/zinc/65/34/68/303653468.db2.gz	SYLMFFPTCCRYRW-MRVPVSSYSA-N	0	2	295.276	1.275	50	5		CDBALN
Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000004662698	326811994	/nfs/dbraw/zinc/81/19/94/326811994.db2.gz	VYRJFOJDWGZTEW-UHFFFAOYSA-N	0	2	293.304	1.521	50	5		CDBALN
Cc1ccn(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1	ZINC000036611188	362205309	/nfs/dbraw/zinc/20/53/09/362205309.db2.gz	MIFUVDDPVVVUCS-UHFFFAOYSA-N	0	2	290.279	1.834	50	5		CDBALN
O=C([O-])[C@@H]1CS[C@H](c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000000077923	358246922	/nfs/dbraw/zinc/24/69/22/358246922.db2.gz	SALHXESGFYVCIK-DTWKUNHWSA-N	0	2	254.267	1.383	50	5		CDBALN
Cc1ccccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000030840519	375679779	/nfs/dbraw/zinc/67/97/79/375679779.db2.gz	QQAIMOQCZAPEJO-SREVYHEPSA-N	0	2	273.248	1.450	50	5		CDBALN
Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1	ZINC000004147885	375894873	/nfs/dbraw/zinc/89/48/73/375894873.db2.gz	SLFJERQTZZHWGR-UHFFFAOYSA-N	0	2	293.304	1.521	50	5		CDBALN
O=C([O-])[C@H]1CS[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000000077895	358253668	/nfs/dbraw/zinc/25/36/68/358253668.db2.gz	WHEHQPOUIXMETN-RKDXNWHRSA-N	0	2	254.267	1.383	50	5		CDBALN
C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000096425359	390517130	/nfs/dbraw/zinc/51/71/30/390517130.db2.gz	XVIXDFZUPCBFAR-GYSYKLTISA-N	0	2	289.335	1.913	50	5		CDBALN
COC(=O)c1n[nH]c2c1c([N+](=O)[O-])ccc2OC	ZINC000096023985	292035830	/nfs/dbraw/zinc/03/58/30/292035830.db2.gz	QYTSWBUMZLQDHF-UHFFFAOYSA-N	0	2	251.198	1.266	50	5		CDBALN
COC(=O)c1[nH]nc2c1c([N+](=O)[O-])ccc2OC	ZINC000096023985	292035832	/nfs/dbraw/zinc/03/58/32/292035832.db2.gz	QYTSWBUMZLQDHF-UHFFFAOYSA-N	0	2	251.198	1.266	50	5		CDBALN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccnc2)cc1	ZINC000004732890	170007876	/nfs/dbraw/zinc/00/78/76/170007876.db2.gz	FWBORXZAOFCPDE-UHFFFAOYSA-N	0	2	279.277	1.791	50	5		CDBALN
C[C@@H]1CC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)O1	ZINC000092558787	296288166	/nfs/dbraw/zinc/28/81/66/296288166.db2.gz	MLTFWOQTGGOMJW-RKDXNWHRSA-N	0	2	294.307	1.986	50	5		CDBALN
O=c1cnnc(SCc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000018096086	170742118	/nfs/dbraw/zinc/74/21/18/170742118.db2.gz	GXXZWRCPHLTVCX-UHFFFAOYSA-N	0	2	264.266	1.778	50	5		CDBALN
C[C@H]1CC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1	ZINC000092558784	365764205	/nfs/dbraw/zinc/76/42/05/365764205.db2.gz	MLTFWOQTGGOMJW-IUCAKERBSA-N	0	2	294.307	1.986	50	5		CDBALN
N=C1NC(=O)C(CC(=O)Nc2ccccc2[N+](=O)[O-])S1	ZINC000004535070	356389459	/nfs/dbraw/zinc/38/94/59/356389459.db2.gz	BGWSFUYHQPWBFM-MRVPVSSYSA-N	0	2	294.292	1.090	50	5		CDBALN
N=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])S1	ZINC000004535070	356389466	/nfs/dbraw/zinc/38/94/66/356389466.db2.gz	BGWSFUYHQPWBFM-MRVPVSSYSA-N	0	2	294.292	1.090	50	5		CDBALN
O=C([O-])c1cc(-n2cc[nH+]c2)c(F)cc1[N+](=O)[O-]	ZINC000042684297	304220099	/nfs/dbraw/zinc/22/00/99/304220099.db2.gz	MRXQKKIAHFIDNX-UHFFFAOYSA-N	0	2	251.173	1.618	50	5		CDBALN
COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	ZINC000124474270	187138950	/nfs/dbraw/zinc/13/89/50/187138950.db2.gz	UDCLLDJBPDFGPB-JTQLQIEISA-N	0	2	280.280	1.455	50	5		CDBALN
O=C(C[C@@H]1SC(=O)NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004151755	375894820	/nfs/dbraw/zinc/89/48/20/375894820.db2.gz	SYLMFFPTCCRYRW-QMMMGPOBSA-N	0	2	295.276	1.275	50	5		CDBALN
CCN(CC)c1ccc2nc3c(=O)[nH]c(=O)nc-3[nH]c2c1	ZINC000009668615	170383920	/nfs/dbraw/zinc/38/39/20/170383920.db2.gz	WKJWYNUYVIYXPZ-UHFFFAOYSA-N	0	2	285.307	1.418	50	5		CDBALN
O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O	ZINC000100396900	358828302	/nfs/dbraw/zinc/82/83/02/358828302.db2.gz	LGUKSUMQFBALJX-AOOOYVTPSA-N	0	2	288.259	1.756	50	5		CDBALN
Cc1ocnc1CNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097109081	357985034	/nfs/dbraw/zinc/98/50/34/357985034.db2.gz	ZEICNJFXOJDPOI-UHFFFAOYSA-N	0	2	277.236	1.527	50	5		CDBALN
O=C(NN1Cc2ccccc2C1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000089903322	366961646	/nfs/dbraw/zinc/96/16/46/366961646.db2.gz	DOEIDIDRUWIXDY-UHFFFAOYSA-N	0	2	299.286	1.961	50	5		CDBALN
N=C1NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2)S1	ZINC000018106278	373989583	/nfs/dbraw/zinc/98/95/83/373989583.db2.gz	TZUFCYVGNXOWGZ-QMMMGPOBSA-N	0	2	294.292	1.090	50	5		CDBALN
N=C1NC(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)S1	ZINC000018106278	373989587	/nfs/dbraw/zinc/98/95/87/373989587.db2.gz	TZUFCYVGNXOWGZ-QMMMGPOBSA-N	0	2	294.292	1.090	50	5		CDBALN
CCOC(=O)c1nn(-c2ccc(F)cc2[N+](=O)[O-])cc1O	ZINC000006758121	170241178	/nfs/dbraw/zinc/24/11/78/170241178.db2.gz	PCTJFPIBQJEUQB-UHFFFAOYSA-N	0	2	295.226	1.042	50	5		CDBALN
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@]1(O)C(F)(F)F	ZINC000004693864	304689520	/nfs/dbraw/zinc/68/95/20/304689520.db2.gz	YZRUAOYVUOZCDK-QMMMGPOBSA-N	0	2	278.142	1.177	50	5		CDBALN
COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O	ZINC000004014523	391696926	/nfs/dbraw/zinc/69/69/26/391696926.db2.gz	YGVJGAVKLPOPMS-UHFFFAOYSA-N	0	2	276.042	1.850	50	5		CDBALN
Cc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-]	ZINC000000032988	397959977	/nfs/dbraw/zinc/95/99/77/397959977.db2.gz	XCCZFOBFTQIDBX-SCZZXKLOSA-N	0	2	268.294	1.691	50	5		CDBALN
COC(=O)C(O)=Cc1nc(OC)ccc1[N+](=O)[O-]	ZINC000004321466	356235014	/nfs/dbraw/zinc/23/50/14/356235014.db2.gz	MXFNDGAASFFGAP-YVMONPNESA-N	0	2	254.198	1.070	50	5		CDBALN
C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1	ZINC000241371257	297282369	/nfs/dbraw/zinc/28/23/69/297282369.db2.gz	MLTFWOQTGGOMJW-DOFRTFSJSA-N	0	2	294.307	1.986	50	5		CDBALN
Nc1ccccc1SC1=C([N+](=O)[O-])CS(=O)(=O)C1	ZINC000000875271	356813741	/nfs/dbraw/zinc/81/37/41/356813741.db2.gz	YJNIIEKKWZTUMM-UHFFFAOYSA-N	0	2	286.334	1.278	50	5		CDBALN
C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000245344147	378072920	/nfs/dbraw/zinc/07/29/20/378072920.db2.gz	XVIXDFZUPCBFAR-JTNHKYCSSA-N	0	2	289.335	1.913	50	5		CDBALN
C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000245344149	378073438	/nfs/dbraw/zinc/07/34/38/378073438.db2.gz	XVIXDFZUPCBFAR-UHIISALHSA-N	0	2	289.335	1.913	50	5		CDBALN
O=[N+]([O-])c1ccc(O)cc1I	ZINC000071791108	304804321	/nfs/dbraw/zinc/80/43/21/304804321.db2.gz	FIWCMSJAIDKMNX-UHFFFAOYSA-N	0	2	265.006	1.905	50	5		CDBALN
Cc1cccnc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004289705	169953322	/nfs/dbraw/zinc/95/33/22/169953322.db2.gz	LCPGMVLPXNCEQP-UHFFFAOYSA-N	0	2	293.304	1.521	50	5		CDBALN
O=[N+]([O-])c1cc(I)ccc1O	ZINC000094568720	304800980	/nfs/dbraw/zinc/80/09/80/304800980.db2.gz	RHWDEIXKHGCDOG-UHFFFAOYSA-N	0	2	265.006	1.905	50	5		CDBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nccs2)c1	ZINC000003877672	375807483	/nfs/dbraw/zinc/80/74/83/375807483.db2.gz	UUOHQDRTUQYINZ-UHFFFAOYSA-N	0	2	285.306	1.274	50	5		CDBALN
O=C(Nc1nnc([C@@H]2CCCO2)o1)c1ccc([N+](=O)[O-])o1	ZINC000010970584	356663730	/nfs/dbraw/zinc/66/37/30/356663730.db2.gz	BGWCCKUMEPVFPM-ZETCQYMHSA-N	0	2	294.223	1.675	50	5		CDBALN
COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000003898356	365148995	/nfs/dbraw/zinc/14/89/95/365148995.db2.gz	HLACZWQBYVTMFZ-QPJJXVBHSA-N	0	2	289.247	1.563	50	5		CDBALN
Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cs1	ZINC000097097017	397959088	/nfs/dbraw/zinc/95/90/88/397959088.db2.gz	QDVVODPNJCDNKH-UHFFFAOYSA-N	0	2	293.304	1.995	50	5		CDBALN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccn1	ZINC000004713569	170003501	/nfs/dbraw/zinc/00/35/01/170003501.db2.gz	DQQOMEKCVFTQMA-UHFFFAOYSA-N	0	2	293.304	1.521	50	5		CDBALN
O=C(NCCn1cccc1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000096449897	534516105	/nfs/dbraw/zinc/51/61/05/534516105.db2.gz	CTMQLYVKFUCZTG-UHFFFAOYSA-N	0	2	275.264	1.532	50	5		CDBALN
CC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)COC1	ZINC000112728454	374229455	/nfs/dbraw/zinc/22/94/55/374229455.db2.gz	NPCVXZMIMCKJHA-UHFFFAOYSA-N	0	2	266.253	1.067	50	5		CDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccs2)[nH]1	ZINC000033247720	357807540	/nfs/dbraw/zinc/80/75/40/357807540.db2.gz	KUXHZZSVSVVOEG-ARJAWSKDSA-N	0	2	265.250	1.616	50	5		CDBALN
O=[N+]([O-])c1cc(C[NH+]2CCSCC2)ccc1[O-]	ZINC000000213794	359303682	/nfs/dbraw/zinc/30/36/82/359303682.db2.gz	BIXRCGUZVASSAG-UHFFFAOYSA-N	0	2	254.311	1.849	50	5		CDBALN
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)on1	ZINC000095451136	374952284	/nfs/dbraw/zinc/95/22/84/374952284.db2.gz	IPBANMZOIKMGAN-UHFFFAOYSA-N	0	2	263.209	1.849	50	5		CDBALN
O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCO1	ZINC000019991907	227362892	/nfs/dbraw/zinc/36/28/92/227362892.db2.gz	CTAHUEVTRDBKHX-SNVBAGLBSA-N	0	2	252.226	1.418	50	5		CDBALN
C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOC1	ZINC000127828809	187335967	/nfs/dbraw/zinc/33/59/67/187335967.db2.gz	ZOCMDCPIMYHBPW-LBPRGKRZSA-N	0	2	266.253	1.209	50	5		CDBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000000001822	356463016	/nfs/dbraw/zinc/46/30/16/356463016.db2.gz	RFKCCVWFXQAMBJ-UHFFFAOYSA-N	0	2	279.277	1.213	50	5		CDBALN
N=C1NC(=O)C(CC(=O)Nc2cccc([N+](=O)[O-])c2)S1	ZINC000018137554	374035735	/nfs/dbraw/zinc/03/57/35/374035735.db2.gz	VJSSGAAKNJWHBT-QMMMGPOBSA-N	0	2	294.292	1.090	50	5		CDBALN
N=C1NC(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S1	ZINC000018137554	374035741	/nfs/dbraw/zinc/03/57/41/374035741.db2.gz	VJSSGAAKNJWHBT-QMMMGPOBSA-N	0	2	294.292	1.090	50	5		CDBALN
O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCOC3)no2)cc1O	ZINC000097102710	538436117	/nfs/dbraw/zinc/43/61/17/538436117.db2.gz	YGZJPNKKXRCOQK-MRVPVSSYSA-N	0	2	277.236	1.854	50	5		CDBALN
O=[N+]([O-])c1cc(CN2CCOCC2)c2cccnc2c1O	ZINC000000125078	359129757	/nfs/dbraw/zinc/12/97/57/359129757.db2.gz	QKKROWQKHDNSGW-UHFFFAOYSA-N	0	2	289.291	1.681	50	5		CDBALN
COC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	ZINC000113435625	374254530	/nfs/dbraw/zinc/25/45/30/374254530.db2.gz	DETKWRJPNPQDRP-JTQLQIEISA-N	0	2	294.307	1.799	50	5		CDBALN
COC(=O)C(O)=Cc1nc(OC)ccc1[N+](=O)[O-]	ZINC000103852542	397917517	/nfs/dbraw/zinc/91/75/17/397917517.db2.gz	MXFNDGAASFFGAP-VMPITWQZSA-N	0	2	254.198	1.070	50	5		CDBALN
CN1C(=N)S/C(=C\c2cc([N+](=O)[O-])ccc2O)C1=O	ZINC000018086667	289790000	/nfs/dbraw/zinc/79/00/00/289790000.db2.gz	OLLOOCVCFKZRGR-PPTIDMBMSA-N	0	2	279.277	1.781	50	5		CDBALN
CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000007777142	369252067	/nfs/dbraw/zinc/25/20/67/369252067.db2.gz	MSIOVNOVZUQYED-UHFFFAOYSA-N	0	2	284.215	1.985	50	5		CDBALN
Cc1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1[N+](=O)[O-]	ZINC000090230748	179936709	/nfs/dbraw/zinc/93/67/09/179936709.db2.gz	GIBRRCSIVGLDCQ-UHFFFAOYSA-N	0	2	282.281	1.427	50	5		CDBALN
CN(CCn1cccn1)C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097373294	323208024	/nfs/dbraw/zinc/20/80/24/323208024.db2.gz	WYIDBNSNEVFRHZ-UHFFFAOYSA-N	0	2	290.279	1.269	50	5		CDBALN
CSc1nc(=O)[nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100400016	358828683	/nfs/dbraw/zinc/82/86/83/358828683.db2.gz	ODNXQRLUYNYHTN-UHFFFAOYSA-N	0	2	297.252	1.099	50	5		CDBALN
O=C([O-])[C@@H]1CS[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000000077898	358247788	/nfs/dbraw/zinc/24/77/88/358247788.db2.gz	WHEHQPOUIXMETN-IUCAKERBSA-N	0	2	254.267	1.383	50	5		CDBALN