smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1N[C@H](SCC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000016758467	564113096	/nfs/dbraw/zinc/11/30/96/564113096.db2.gz	LOIHQSAJGIIVGW-MRXNPFEDSA-N	-1	0	348.380	3.532	40	5		EHBBRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1cccc([N+](=O)[O-])c1C	ZINC000216960399	241227193	/nfs/dbraw/zinc/22/71/93/241227193.db2.gz	IBPHQELKBAAGET-UHFFFAOYSA-N	-1	0	338.319	3.553	40	5		EHBBRM
COc1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2C(=O)[O-])cc1	ZINC000000564657	201487672	/nfs/dbraw/zinc/48/76/72/201487672.db2.gz	PCABBWMIUCUDMA-OAHLLOKOSA-N	-1	0	333.365	3.504	40	5		EHBBRM
O=C([O-])C1=NN(c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1	ZINC000071979170	203156512	/nfs/dbraw/zinc/15/65/12/203156512.db2.gz	PXIUZHFIERSJPA-CQSZACIVSA-N	-1	0	345.742	3.640	40	5		EHBBRM
C[C@@]12C[C@@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)[O-])[C@@H]12	ZINC000005348560	564002782	/nfs/dbraw/zinc/00/27/82/564002782.db2.gz	OWUSYBWTCKRERJ-QHHYFVSCSA-N	-1	0	344.411	3.625	40	5		EHBBRM
COc1cccc([C@H](C[N+](=O)[O-])Sc2ccccc2C(=O)[O-])c1	ZINC000000564605	564023231	/nfs/dbraw/zinc/02/32/31/564023231.db2.gz	GBOWDGDFGICZQO-HNNXBMFYSA-N	-1	0	333.365	3.504	40	5		EHBBRM
Cc1c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC000020141000	257856697	/nfs/dbraw/zinc/85/66/97/257856697.db2.gz	GQVFTILNELPLRH-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1cc(C)c(C)c(O[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1	ZINC000225126422	564125600	/nfs/dbraw/zinc/12/56/00/564125600.db2.gz	LGNIUEVPFMCPJM-QGZVFWFLSA-N	-1	0	329.352	3.595	40	5		EHBBRM
Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1C(=O)[O-]	ZINC000020141086	564138410	/nfs/dbraw/zinc/13/84/10/564138410.db2.gz	QJBKKWRRFDUJHK-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
O=C([O-])c1cn(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12	ZINC000216960079	241227670	/nfs/dbraw/zinc/22/76/70/241227670.db2.gz	VNXALXYNTYCCPT-UHFFFAOYSA-N	-1	0	344.710	3.590	40	5		EHBBRM
Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)ccc1[N+](=O)[O-]	ZINC000013167608	207357015	/nfs/dbraw/zinc/35/70/15/207357015.db2.gz	QUTHVOGDWSUUNY-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000013391143	207383613	/nfs/dbraw/zinc/38/36/13/207383613.db2.gz	ULSLDWCLUUOIFG-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1cccc(OC(F)(F)F)c1	ZINC000391739877	564015742	/nfs/dbraw/zinc/01/57/42/564015742.db2.gz	BIWRKHIXMXWTHG-UHFFFAOYSA-N	-1	0	342.229	3.935	40	5		EHBBRM
O=C([O-])CSc1ncnc2c3cc4ccccc4nc3sc21	ZINC000035314689	202297135	/nfs/dbraw/zinc/29/71/35/202297135.db2.gz	XPPAJHONRKCGOU-UHFFFAOYSA-N	-1	0	327.390	3.569	40	5		EHBBRM
O=C([O-])/C=C/c1cc(Br)c(-c2ccccc2[N+](=O)[O-])o1	ZINC000040544976	201088523	/nfs/dbraw/zinc/08/85/23/201088523.db2.gz	HECABSIMLUAHOJ-AATRIKPKSA-N	-1	0	338.113	3.715	40	5		EHBBRM
CC(C)c1ccccc1O[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225126036	564125613	/nfs/dbraw/zinc/12/56/13/564125613.db2.gz	GBOUNUZCHDHTCG-QGZVFWFLSA-N	-1	0	329.352	3.793	40	5		EHBBRM
Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1[N+](=O)[O-]	ZINC000020140930	564138390	/nfs/dbraw/zinc/13/83/90/564138390.db2.gz	HTGWAZGVPSYILO-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
O=CN[C@H](CCCC(=O)[O-])Cc1cc2ccccc2c2ccccc12	ZINC000017421114	563844488	/nfs/dbraw/zinc/84/44/88/563844488.db2.gz	LLZXZAKJSDOKLW-QGZVFWFLSA-N	-1	0	335.403	3.905	40	5		EHBBRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000216960231	241227812	/nfs/dbraw/zinc/22/78/12/241227812.db2.gz	QCTMHWNSPLGDGM-UHFFFAOYSA-N	-1	0	338.319	3.553	40	5		EHBBRM
O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000013166760	201887567	/nfs/dbraw/zinc/88/75/67/201887567.db2.gz	MBPBFCCEJKYVOT-KRXBUXKQSA-N	-1	0	346.726	3.598	40	5		EHBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013391022	207385270	/nfs/dbraw/zinc/38/52/70/207385270.db2.gz	GKVTUCHGCRZLDB-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1ccc2[nH]cc(CCNc3ccc([N+](=O)[O-])cc3C(=O)[O-])c2c1	ZINC000408712480	563602432	/nfs/dbraw/zinc/60/24/32/563602432.db2.gz	QISRNAVGLUWJNV-UHFFFAOYSA-N	-1	0	339.351	3.737	40	5		EHBBRM
Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000020140960	564138409	/nfs/dbraw/zinc/13/84/09/564138409.db2.gz	HQHDWYGVKCRJBU-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
O=C([O-])c1cc(OCc2cccc3ccccc32)cc([N+](=O)[O-])c1O	ZINC000216754252	241208448	/nfs/dbraw/zinc/20/84/48/241208448.db2.gz	USZRLEWWQJARRJ-UHFFFAOYSA-N	-1	0	339.303	3.731	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1SC1CCCCC1	ZINC000005943614	564057210	/nfs/dbraw/zinc/05/72/10/564057210.db2.gz	VFULUWXHJZJCQC-UHFFFAOYSA-N	-1	0	326.330	3.626	40	5		EHBBRM
CC(C)c1ccccc1O[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225126002	564125616	/nfs/dbraw/zinc/12/56/16/564125616.db2.gz	GBOUNUZCHDHTCG-KRWDZBQOSA-N	-1	0	329.352	3.793	40	5		EHBBRM
Cc1c(C(=O)[O-])sc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cn12	ZINC000095095772	564139103	/nfs/dbraw/zinc/13/91/03/564139103.db2.gz	SVTFFZGTXIFRJP-UHFFFAOYSA-N	-1	0	337.744	3.631	40	5		EHBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013169618	211532745	/nfs/dbraw/zinc/53/27/45/211532745.db2.gz	JXXUEHOEDFBQAC-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013391054	564019793	/nfs/dbraw/zinc/01/97/93/564019793.db2.gz	XIZMBUUOXIOZKM-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cccc1[N+](=O)[O-]	ZINC000013167672	564136122	/nfs/dbraw/zinc/13/61/22/564136122.db2.gz	APFONBVNNPDGMT-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1cc([N+](=O)[O-])c2ccccc2c1[N-]S(=O)(=O)c1ccccc1	ZINC000004706504	210254361	/nfs/dbraw/zinc/25/43/61/210254361.db2.gz	JKSAKRLUFCEWFW-UHFFFAOYSA-N	-1	0	342.376	3.857	40	5		EHBBRM
O=C([O-])c1cn(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc12	ZINC000216961101	241227238	/nfs/dbraw/zinc/22/72/38/241227238.db2.gz	WABJRMMXOGSIAU-UHFFFAOYSA-N	-1	0	344.710	3.590	40	5		EHBBRM
Cc1ccc(C)c(Nc2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000005362745	210448834	/nfs/dbraw/zinc/44/88/34/210448834.db2.gz	SOCAHQZAWLTBHK-UHFFFAOYSA-N	-1	0	331.284	3.562	40	5		EHBBRM
O=CN[C@@H](CCCC(=O)[O-])Cc1cc2ccccc2c2ccccc12	ZINC000001698044	563404198	/nfs/dbraw/zinc/40/41/98/563404198.db2.gz	LLZXZAKJSDOKLW-KRWDZBQOSA-N	-1	0	335.403	3.905	40	5		EHBBRM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1F	ZINC000226862958	242118214	/nfs/dbraw/zinc/11/82/14/242118214.db2.gz	WAOHUWLMXDLPCP-UHFFFAOYSA-N	-1	0	346.339	3.688	40	5		EHBBRM
O=C1S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C(=O)N1c1ccccc1	ZINC000408961477	564008320	/nfs/dbraw/zinc/00/83/20/564008320.db2.gz	MNSRGYWPZDTQQA-UKTHLTGXSA-N	-1	0	342.332	3.541	40	5		EHBBRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000216960839	241227731	/nfs/dbraw/zinc/22/77/31/241227731.db2.gz	VMQVOCALVIRMOE-UHFFFAOYSA-N	-1	0	338.319	3.553	40	5		EHBBRM
O=C([O-])c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000020145195	212105773	/nfs/dbraw/zinc/10/57/73/212105773.db2.gz	FICLKIAXLWKBPL-QPJJXVBHSA-N	-1	0	346.726	3.598	40	5		EHBBRM
CC(C)(C)c1ccccc1O[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225125532	564125615	/nfs/dbraw/zinc/12/56/15/564125615.db2.gz	OCAUKEIRSYBNLZ-KRWDZBQOSA-N	-1	0	343.379	3.967	40	5		EHBBRM
O=C([O-])/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000033507088	563992343	/nfs/dbraw/zinc/99/23/43/563992343.db2.gz	JXBHVBGYXKVAHC-XBXARRHUSA-N	-1	0	333.727	3.925	40	5		EHBBRM
Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005925481	564056987	/nfs/dbraw/zinc/05/69/87/564056987.db2.gz	GMJLASVPKUIKPJ-UHFFFAOYSA-N	-1	0	334.397	3.827	40	5		EHBBRM
CC(C)CN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc21	ZINC000409109242	563994160	/nfs/dbraw/zinc/99/41/60/563994160.db2.gz	AFXGNGKKYKMENW-DHDCSXOGSA-N	-1	0	338.363	3.844	40	5		EHBBRM
CC(C)(C)c1ccc(O[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000225125660	564125594	/nfs/dbraw/zinc/12/55/94/564125594.db2.gz	DBUKKAHHJWNZGS-QGZVFWFLSA-N	-1	0	343.379	3.967	40	5		EHBBRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)[O-])c1nc3c(ccc4ncccc43)nc12	ZINC000004137236	210128742	/nfs/dbraw/zinc/12/87/42/210128742.db2.gz	HJEBEUGQKNPSKR-VQTJNVASSA-N	-1	0	333.391	3.592	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccc(F)cc12	ZINC000408712808	257891662	/nfs/dbraw/zinc/89/16/62/257891662.db2.gz	STRBBODTZZGLSJ-UHFFFAOYSA-N	-1	0	343.314	3.568	40	5		EHBBRM
O=C([O-])c1ccc(Nc2cccc(Br)c2)c([N+](=O)[O-])c1	ZINC000019845054	212075578	/nfs/dbraw/zinc/07/55/78/212075578.db2.gz	VVFLRVHTGQUOGQ-UHFFFAOYSA-N	-1	0	337.129	3.799	40	5		EHBBRM
COc1cccc([C@@H](C[N+](=O)[O-])Sc2ccccc2C(=O)[O-])c1	ZINC000000564604	564023257	/nfs/dbraw/zinc/02/32/57/564023257.db2.gz	GBOWDGDFGICZQO-OAHLLOKOSA-N	-1	0	333.365	3.504	40	5		EHBBRM
O=C([O-])/C(=C/c1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2o1	ZINC000211503751	564063091	/nfs/dbraw/zinc/06/30/91/564063091.db2.gz	JPTMVQFZIGTHQK-ZROIWOOFSA-N	-1	0	342.332	3.954	40	5		EHBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000004014128	210099735	/nfs/dbraw/zinc/09/97/35/210099735.db2.gz	VRALVBRCALAKME-UHFFFAOYSA-N	-1	0	327.123	3.860	40	5		EHBBRM
Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1[N+](=O)[O-]	ZINC000013167946	211532505	/nfs/dbraw/zinc/53/25/05/211532505.db2.gz	CTWMHQYRMMPSRL-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1c(-c2ccccc2)[n-]n2c1nc(-c1ccc([N+](=O)[O-])cc1)cc2=O	ZINC000008892302	211014997	/nfs/dbraw/zinc/01/49/97/211014997.db2.gz	AXXLJVJHJCCVHF-UHFFFAOYSA-N	-1	0	346.346	3.986	40	5		EHBBRM
CC(C)(C)c1ccc(O[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000225125624	241798365	/nfs/dbraw/zinc/79/83/65/241798365.db2.gz	DBUKKAHHJWNZGS-KRWDZBQOSA-N	-1	0	343.379	3.967	40	5		EHBBRM
CCSc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000020459559	212133955	/nfs/dbraw/zinc/13/39/55/212133955.db2.gz	GOKYDNAXDDJOQE-UHFFFAOYSA-N	-1	0	338.410	3.508	40	5		EHBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013169624	211533010	/nfs/dbraw/zinc/53/30/10/211533010.db2.gz	VVLAZQCNCPENBB-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
O=C([O-])C[C@H](c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1	ZINC000016778623	564113316	/nfs/dbraw/zinc/11/33/16/564113316.db2.gz	IQDRIHWCJUIABD-LBPRGKRZSA-N	-1	0	328.349	3.811	40	5		EHBBRM
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C	ZINC000005234954	564001374	/nfs/dbraw/zinc/00/13/74/564001374.db2.gz	PXLCGAXMUUTBQX-UHFFFAOYSA-N	-1	0	340.788	3.666	40	5		EHBBRM
O=C([O-])[C@@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccc2ccccc2c1	ZINC000225126659	564045069	/nfs/dbraw/zinc/04/50/69/564045069.db2.gz	ZJBPRUFYYBDQRB-GOSISDBHSA-N	-1	0	337.331	3.823	40	5		EHBBRM
Cc1cc(O[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])ccc1Cl	ZINC000225125816	564125618	/nfs/dbraw/zinc/12/56/18/564125618.db2.gz	TZZJFOXHDCOKAP-HNNXBMFYSA-N	-1	0	335.743	3.631	40	5		EHBBRM
Cn1c2cc(F)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3	ZINC000104222593	219362244	/nfs/dbraw/zinc/36/22/44/219362244.db2.gz	LTVKJTPLGCAYKX-UHFFFAOYSA-N	-1	0	325.339	3.721	40	5		EHBBRM
CCSc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000020491766	212139253	/nfs/dbraw/zinc/13/92/53/212139253.db2.gz	HHMWGILQSVTSDD-UHFFFAOYSA-N	-1	0	338.410	3.508	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1Cl	ZINC000216805211	241212750	/nfs/dbraw/zinc/21/27/50/241212750.db2.gz	ACCNSMQPLUBZKP-UHFFFAOYSA-N	-1	0	325.679	3.665	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])c(OCc2cccc3ccccc32)cc1O	ZINC000216933572	241225928	/nfs/dbraw/zinc/22/59/28/241225928.db2.gz	HWJLOKKHOFXJGC-UHFFFAOYSA-N	-1	0	339.303	3.731	40	5		EHBBRM
O=C([O-])[C@H](Cc1cccc([N+](=O)[O-])c1)Oc1cccc2ccccc21	ZINC000225126608	241801127	/nfs/dbraw/zinc/80/11/27/241801127.db2.gz	VEIRAOUNRPCCKZ-SFHVURJKSA-N	-1	0	337.331	3.823	40	5		EHBBRM
Cc1cc(O[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])ccc1Cl	ZINC000225125850	564125586	/nfs/dbraw/zinc/12/55/86/564125586.db2.gz	TZZJFOXHDCOKAP-OAHLLOKOSA-N	-1	0	335.743	3.631	40	5		EHBBRM
O=C([O-])c1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000013094753	564135992	/nfs/dbraw/zinc/13/59/92/564135992.db2.gz	AEWNYPHVILLZPO-FNORWQNLSA-N	-1	0	346.726	3.598	40	5		EHBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1	ZINC000005249568	564001419	/nfs/dbraw/zinc/00/14/19/564001419.db2.gz	RPNIULKJBOOOSP-UHFFFAOYSA-N	-1	0	328.349	3.549	40	5		EHBBRM
Cn1c2c(F)cccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3	ZINC000104222598	219361525	/nfs/dbraw/zinc/36/15/25/219361525.db2.gz	KTVDZBNGMHNVMP-UHFFFAOYSA-N	-1	0	325.339	3.721	40	5		EHBBRM
Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000010109735	211148712	/nfs/dbraw/zinc/14/87/12/211148712.db2.gz	SCHIOJKFOHKWSJ-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cccc1[N+](=O)[O-]	ZINC000020141006	257856683	/nfs/dbraw/zinc/85/66/83/257856683.db2.gz	DLUFTTUKSMAZPV-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1[n-]c(=O)c(Br)c(-c2ccc(Cl)cc2)c1[N+](=O)[O-]	ZINC000096511240	564148843	/nfs/dbraw/zinc/14/88/43/564148843.db2.gz	FOKFFKRLAZUHGV-UHFFFAOYSA-N	-1	0	343.564	3.674	40	5		EHBBRM
CC(C)(C)c1ccccc1O[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225125569	241798434	/nfs/dbraw/zinc/79/84/34/241798434.db2.gz	OCAUKEIRSYBNLZ-QGZVFWFLSA-N	-1	0	343.379	3.967	40	5		EHBBRM
Cc1ccc(Sc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000005942442	210564080	/nfs/dbraw/zinc/56/40/80/210564080.db2.gz	KLZDKCLJTPFCMB-UHFFFAOYSA-N	-1	0	334.309	3.661	40	5		EHBBRM
O=C(Nc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1[O-]	ZINC000001634301	564099006	/nfs/dbraw/zinc/09/90/06/564099006.db2.gz	YJKRMDYXZLVBHH-UHFFFAOYSA-N	-1	0	327.123	3.860	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])c(OCc2ccc3ccccc3c2)cc1O	ZINC000225684893	563995986	/nfs/dbraw/zinc/99/59/86/563995986.db2.gz	JGYWDGNGLQFCDP-UHFFFAOYSA-N	-1	0	339.303	3.731	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])c(SC2CCCCC2)c([N+](=O)[O-])c1	ZINC000016383343	564084520	/nfs/dbraw/zinc/08/45/20/564084520.db2.gz	MASJVGJBKRRTGI-UHFFFAOYSA-N	-1	0	326.330	3.626	40	5		EHBBRM
O=C(c1[nH]c2sc3c(c2c1[O-])CCCC3)c1cccc([N+](=O)[O-])c1	ZINC000001745284	564086223	/nfs/dbraw/zinc/08/62/23/564086223.db2.gz	XKOFSYQAXKOYOS-UHFFFAOYSA-N	-1	0	342.376	3.953	40	5		EHBBRM
O=C([O-])[C@@H](Cc1cccc([N+](=O)[O-])c1)Oc1cccc2ccccc21	ZINC000225126566	241800947	/nfs/dbraw/zinc/80/09/47/241800947.db2.gz	VEIRAOUNRPCCKZ-GOSISDBHSA-N	-1	0	337.331	3.823	40	5		EHBBRM
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000020140969	564138402	/nfs/dbraw/zinc/13/84/02/564138402.db2.gz	QJERGRPLTBAGPY-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C(=O)[O-])c3o2)cc1Cl	ZINC000216729519	241207614	/nfs/dbraw/zinc/20/76/14/241207614.db2.gz	UKTBWHNBGDWPNP-UHFFFAOYSA-N	-1	0	348.698	3.763	40	5		EHBBRM
O=C([O-])C1CCN(C(=O)Cc2c3ccccc3cc3ccccc32)CC1	ZINC000001719837	564099086	/nfs/dbraw/zinc/09/90/86/564099086.db2.gz	DEFKIYOOHWBUGZ-UHFFFAOYSA-N	-1	0	347.414	3.859	40	5		EHBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000013169692	564136127	/nfs/dbraw/zinc/13/61/27/564136127.db2.gz	XVSWLCBHMOCSPB-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12	ZINC000408965113	564008386	/nfs/dbraw/zinc/00/83/86/564008386.db2.gz	GQXCSPUDFPKYOC-UHFFFAOYSA-N	-1	0	340.291	3.600	40	5		EHBBRM
COc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1[N+](=O)[O-]	ZINC000113839535	564134400	/nfs/dbraw/zinc/13/44/00/564134400.db2.gz	DTKIBQNYSDOPDJ-UHFFFAOYSA-N	-1	0	338.319	3.825	40	5		EHBBRM
O=C([O-])c1ccc(Cl)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000013167682	564136105	/nfs/dbraw/zinc/13/61/05/564136105.db2.gz	UIDVKLOYUPFACA-QPJJXVBHSA-N	-1	0	346.726	3.598	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)cc1	ZINC000021063152	564141922	/nfs/dbraw/zinc/14/19/22/564141922.db2.gz	HBPINUPCSISGPN-UHFFFAOYSA-N	-1	0	337.129	3.799	40	5		EHBBRM
O=C([O-])c1cc(OCc2ccc3ccccc3c2)cc([N+](=O)[O-])c1O	ZINC000216932782	241225101	/nfs/dbraw/zinc/22/51/01/241225101.db2.gz	IOCGGSMHSFMJTD-UHFFFAOYSA-N	-1	0	339.303	3.731	40	5		EHBBRM
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])o1)Sc1nc2ccccc2o1	ZINC000211503953	564063117	/nfs/dbraw/zinc/06/31/17/564063117.db2.gz	YFMSTKLPLLFODN-XFFZJAGNSA-N	-1	0	332.293	3.547	40	5		EHBBRM
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2o1	ZINC000211505706	564092721	/nfs/dbraw/zinc/09/27/21/564092721.db2.gz	DVCFKYKLQZDWQZ-ZROIWOOFSA-N	-1	0	342.332	3.954	40	5		EHBBRM
O=C([O-])CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000216926628	241225498	/nfs/dbraw/zinc/22/54/98/241225498.db2.gz	SXLBCNLQOCBCLO-UHFFFAOYSA-N	-1	0	335.743	3.844	40	5		EHBBRM
O=C([O-])c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000020145187	212105631	/nfs/dbraw/zinc/10/56/31/212105631.db2.gz	FYVPJFIBZFIBDC-QPJJXVBHSA-N	-1	0	346.726	3.598	40	5		EHBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccccc21	ZINC000005598823	564006135	/nfs/dbraw/zinc/00/61/35/564006135.db2.gz	LTKBULPBAXZKTK-UHFFFAOYSA-N	-1	0	342.376	3.857	40	5		EHBBRM
Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000020140920	564138398	/nfs/dbraw/zinc/13/83/98/564138398.db2.gz	FJRCAULHXJXDKI-UHFFFAOYSA-N	-1	0	334.715	3.507	40	5		EHBBRM
CC(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1	ZINC000041125357	213421033	/nfs/dbraw/zinc/42/10/33/213421033.db2.gz	AWIVQPVYVOMPEH-UHFFFAOYSA-N	-1	0	328.324	3.669	40	5		EHBBRM
O=C([O-])/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000085346862	217660724	/nfs/dbraw/zinc/66/07/24/217660724.db2.gz	HIOBXMGHYDHDLJ-ZZXKWVIFSA-N	-1	0	338.113	3.715	40	5		EHBBRM
CCSc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000044840531	564027294	/nfs/dbraw/zinc/02/72/94/564027294.db2.gz	JATNLHLACACFSM-UHFFFAOYSA-N	-1	0	338.410	3.508	40	5		EHBBRM
COc1ccccc1N[C@@H](SCC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000016758466	564113083	/nfs/dbraw/zinc/11/30/83/564113083.db2.gz	LOIHQSAJGIIVGW-INIZCTEOSA-N	-1	0	348.380	3.532	40	5		EHBBRM
COc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000007603955	257864196	/nfs/dbraw/zinc/86/41/96/257864196.db2.gz	GZJZYMDABWWXDW-UHFFFAOYSA-N	-1	0	337.715	3.534	40	5		EHBBRM
CCCCCN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409203237	564011039	/nfs/dbraw/zinc/01/10/39/564011039.db2.gz	WDDRCVGLSVUDEB-LCYFTJDESA-N	-1	0	336.369	3.527	40	5		EHBBRM
O=C([O-])/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000015416882	564062052	/nfs/dbraw/zinc/06/20/52/564062052.db2.gz	YOGJIDREHXQQIF-ZZXKWVIFSA-N	-1	0	338.113	3.715	40	5		EHBBRM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000581898	257869578	/nfs/dbraw/zinc/86/95/78/257869578.db2.gz	SKOMFZISXMPRDH-UHFFFAOYSA-N	-1	0	334.397	3.520	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccccc1OC(F)(F)F	ZINC000323824275	564078778	/nfs/dbraw/zinc/07/87/78/564078778.db2.gz	FUBFFVKPHXGZQJ-UHFFFAOYSA-N	-1	0	342.229	3.935	40	5		EHBBRM
Cc1cc(C)c(C)c(O[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1	ZINC000225126379	564045041	/nfs/dbraw/zinc/04/50/41/564045041.db2.gz	LGNIUEVPFMCPJM-KRWDZBQOSA-N	-1	0	329.352	3.595	40	5		EHBBRM
O=C([O-])C[C@@H](c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1	ZINC000016778625	211934611	/nfs/dbraw/zinc/93/46/11/211934611.db2.gz	IQDRIHWCJUIABD-GFCCVEGCSA-N	-1	0	328.349	3.811	40	5		EHBBRM
COc1ccc([C@H](C[N+](=O)[O-])Sc2ccccc2C(=O)[O-])cc1	ZINC000000564658	564023234	/nfs/dbraw/zinc/02/32/34/564023234.db2.gz	PCABBWMIUCUDMA-HNNXBMFYSA-N	-1	0	333.365	3.504	40	5		EHBBRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)[O-])c1nc3ccc4ncccc4c3nc12	ZINC000005268731	564031903	/nfs/dbraw/zinc/03/19/03/564031903.db2.gz	XKGSWHLEWGEIKY-VQTJNVASSA-N	-1	0	333.391	3.592	40	5		EHBBRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1	ZINC000022259189	212285953	/nfs/dbraw/zinc/28/59/53/212285953.db2.gz	FHKNJWQTWXFNMS-UHFFFAOYSA-N	-1	0	334.397	3.827	40	5		EHBBRM
O=C([O-])c1cn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12	ZINC000216960359	241226660	/nfs/dbraw/zinc/22/66/60/241226660.db2.gz	PAUIUAXEJFCKRF-UHFFFAOYSA-N	-1	0	344.710	3.590	40	5		EHBBRM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1	ZINC000006368785	564085304	/nfs/dbraw/zinc/08/53/04/564085304.db2.gz	AZXLMVSCWTYBLQ-UHFFFAOYSA-N	-1	0	347.179	3.702	40	5		EHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1cccc(Br)c1	ZINC000021052472	564141931	/nfs/dbraw/zinc/14/19/31/564141931.db2.gz	FJUPXOQBXTYTSD-UHFFFAOYSA-N	-1	0	337.129	3.799	40	5		EHBBRM
O=C([O-])C1=NN(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1	ZINC000071979169	215987958	/nfs/dbraw/zinc/98/79/58/215987958.db2.gz	PXIUZHFIERSJPA-AWEZNQCLSA-N	-1	0	345.742	3.640	40	5		EHBBRM
O=C([O-])[C@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccc2ccccc2c1	ZINC000225126698	241800262	/nfs/dbraw/zinc/80/02/62/241800262.db2.gz	ZJBPRUFYYBDQRB-SFHVURJKSA-N	-1	0	337.331	3.823	40	5		EHBBRM