smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccccc1[N+](=O)[O-]	ZINC000018128095	211983065	/nfs/dbraw/zinc/98/30/65/211983065.db2.gz	POIFJYZGKBBIGV-UHFFFAOYSA-N	-1	0	327.365	3.946	50	5		EHBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccc(C)cc1	ZINC000100848922	206258822	/nfs/dbraw/zinc/25/88/22/206258822.db2.gz	MRKIEWNFKOHLAN-KRWDZBQOSA-N	-1	0	337.379	3.603	50	5		EHBARM
O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000001848287	564099222	/nfs/dbraw/zinc/09/92/22/564099222.db2.gz	NOQGIQYMUAVAFI-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5		EHBARM
O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000003154486	201558180	/nfs/dbraw/zinc/55/81/80/201558180.db2.gz	WQIGTUIMBVUVFK-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5		EHBARM
Cc1ccc(N[C@H](c2ccc(C)c([N+](=O)[O-])c2)[P@@](=O)([O-])O)cc1	ZINC000012523573	207164303	/nfs/dbraw/zinc/16/43/03/207164303.db2.gz	KEHVQUXLODLSLE-HNNXBMFYSA-N	-1	0	336.284	3.500	50	5		EHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2ccccc21	ZINC000000047065	563213380	/nfs/dbraw/zinc/21/33/80/563213380.db2.gz	YPAFWESEDDOFFH-UHFFFAOYSA-N	-1	0	328.349	3.549	50	5		EHBARM
CC(C)(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000006316055	564084470	/nfs/dbraw/zinc/08/44/70/564084470.db2.gz	GLYHPRSSXCXMGV-UHFFFAOYSA-N	-1	0	334.397	3.693	50	5		EHBARM
CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])c1nc3c(ccc4ncccc43)nc12	ZINC000004000331	564159927	/nfs/dbraw/zinc/15/99/27/564159927.db2.gz	HJEBEUGQKNPSKR-UXHICEINSA-N	-1	0	333.391	3.592	50	5	biogenic	EHBARM
O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000003154492	201558327	/nfs/dbraw/zinc/55/83/27/201558327.db2.gz	MXAOLSQZAQSNNU-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5		EHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2ccccc2c1	ZINC000000354971	206235853	/nfs/dbraw/zinc/23/58/53/206235853.db2.gz	MKFQDZHISZFNMT-UHFFFAOYSA-N	-1	0	328.349	3.549	50	5		EHBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000005012622	563993762	/nfs/dbraw/zinc/99/37/62/563993762.db2.gz	PUCSCFBSGYQQIF-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
Cc1ccc(C)c(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)o2)c1	ZINC000005169648	563999861	/nfs/dbraw/zinc/99/98/61/563999861.db2.gz	RMWXEMUFNIVMIW-UHFFFAOYSA-N	-1	0	344.352	3.575	50	5		EHBARM
O=[N+]([O-])/C(=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc2ccccc2n1	ZINC000004016568	564160022	/nfs/dbraw/zinc/16/00/22/564160022.db2.gz	GFQYZQZJYNDQGR-YBEGLDIGSA-N	-1	0	337.291	3.623	50	5		EHBARM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000032765610	212838720	/nfs/dbraw/zinc/83/87/20/212838720.db2.gz	SPEYFLVDXONJQH-UHFFFAOYSA-N	-1	0	340.788	3.666	50	5		EHBARM
CC[C@H](C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035867456	202310461	/nfs/dbraw/zinc/31/04/61/202310461.db2.gz	GTIOUOABDNOUQH-LBPRGKRZSA-N	-1	0	344.367	3.831	50	5		EHBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000005598870	201657468	/nfs/dbraw/zinc/65/74/68/201657468.db2.gz	GGCYZJYAWBAKKG-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	ZINC000000271993	563990058	/nfs/dbraw/zinc/99/00/58/563990058.db2.gz	DMFYDAPWLWONCQ-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc([O-])c(Cl)c1	ZINC000031389258	202204726	/nfs/dbraw/zinc/20/47/26/202204726.db2.gz	QUAHZYIMPGGHRU-UHFFFAOYSA-N	-1	0	334.759	3.616	50	5		EHBARM
Cc1cc(Nc2ccccc2C(=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000000081192	563974632	/nfs/dbraw/zinc/97/46/32/563974632.db2.gz	JHJSEVNTJNFEOJ-UHFFFAOYSA-N	-1	0	338.323	3.531	50	5		EHBARM
O=[N+]([O-])c1cccc2c([N-]S(=O)(=O)c3cccs3)cccc21	ZINC000004980360	563993509	/nfs/dbraw/zinc/99/35/09/563993509.db2.gz	TUDIFXPKMUZBJB-UHFFFAOYSA-N	-1	0	334.378	3.610	50	5		EHBARM
CCCCn1c(=O)c2sc3ccc([N+](=O)[O-])cc3c2[n-]c1=S	ZINC000102724394	564020464	/nfs/dbraw/zinc/02/04/64/564020464.db2.gz	DRETXNJVAUBDRT-UHFFFAOYSA-N	-1	0	335.410	3.982	50	5		EHBARM
C[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(F)c1	ZINC000095465422	203747371	/nfs/dbraw/zinc/74/73/71/203747371.db2.gz	PLUFNZDSDZJCMX-QMMMGPOBSA-N	-1	0	338.722	3.835	50	5		EHBARM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)c(Cl)c1	ZINC000037246092	564109241	/nfs/dbraw/zinc/10/92/41/564109241.db2.gz	JXBIHSIBDSAUFE-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5		EHBARM
COc1cc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc([N+](=O)[O-])c1[O-]	ZINC000096379394	564146928	/nfs/dbraw/zinc/14/69/28/564146928.db2.gz	ARIBYDNUSDHTPC-UHFFFAOYSA-N	-1	0	341.319	3.699	50	5		EHBARM
O=C1[N-]C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1	ZINC000014011258	563982790	/nfs/dbraw/zinc/98/27/90/563982790.db2.gz	OLIVDXDYWYPSHJ-WDZFZDKYSA-N	-1	0	333.687	3.529	50	5		EHBARM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c(Cl)cc(F)cc1Cl	ZINC000408514588	563992909	/nfs/dbraw/zinc/99/29/09/563992909.db2.gz	VYAPALNCHHUTDY-UHFFFAOYSA-N	-1	0	345.113	3.999	50	5		EHBARM
Cc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1[N+](=O)[O-]	ZINC000005090918	563994273	/nfs/dbraw/zinc/99/42/73/563994273.db2.gz	DGSMJPISZGIEHK-UHFFFAOYSA-N	-1	0	342.376	3.857	50	5		EHBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c(C2=C([O-])c3ccccc3CCC2)s1	ZINC000005379311	564003160	/nfs/dbraw/zinc/00/31/60/564003160.db2.gz	LMEUOAHRDZPGFL-NSHDSACASA-N	-1	0	332.337	3.867	50	5		EHBARM
O=[N+]([O-])c1ccc([O-])c(-c2ccnc3cc(-c4ccccc4)nn32)c1	ZINC000013362332	564136287	/nfs/dbraw/zinc/13/62/87/564136287.db2.gz	QHGAUXVOXJVSIE-UHFFFAOYSA-N	-1	0	332.319	3.677	50	5		EHBARM
Cc1cccc(-c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(=O)n3[n-]2)c1	ZINC000107390157	1043336354	/nfs/dbraw/zinc/33/63/54/1043336354.db2.gz	GZZRIPNCLCGCEG-UHFFFAOYSA-N	-1	0	346.346	3.986	50	5		EHBARM
O=c1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)nc(Cl)[n-]1	ZINC000067351117	202912437	/nfs/dbraw/zinc/91/24/37/202912437.db2.gz	PRAYPANYNDEFEV-UHFFFAOYSA-N	-1	0	344.714	3.598	50	5		EHBARM
O=[N+]([O-])C=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2[N-]1	ZINC000005583922	563541126	/nfs/dbraw/zinc/54/11/26/563541126.db2.gz	URZUOAKBDKORRD-PKNBQFBNSA-N	-1	0	331.734	3.860	50	5	in-vitro	EHBARM
CCCCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000005259986	564001561	/nfs/dbraw/zinc/00/15/61/564001561.db2.gz	ZLZAHAHTSCYXPT-UHFFFAOYSA-N	-1	0	334.397	3.738	50	5		EHBARM
Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1[N+](=O)[O-]	ZINC000095954836	564142490	/nfs/dbraw/zinc/14/24/90/564142490.db2.gz	RWPMEHSZEPQLQB-UHFFFAOYSA-N	-1	0	334.715	3.507	50	5		EHBARM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3cccs3)[n-]n21	ZINC000110465092	1033803707	/nfs/dbraw/zinc/80/37/07/1033803707.db2.gz	LMGOYRRGXUJJSX-UHFFFAOYSA-N	-1	0	338.348	3.739	50	5		EHBARM
O=C([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000013079399	207280206	/nfs/dbraw/zinc/28/02/06/207280206.db2.gz	ADLKWVVIHHKCTA-UHFFFAOYSA-N	-1	0	340.379	3.752	50	5		EHBARM
Cc1ccccc1-c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000000620789	564033165	/nfs/dbraw/zinc/03/31/65/564033165.db2.gz	CIZYWMNEQXBBIN-UHFFFAOYSA-N	-1	0	340.364	3.674	50	5		EHBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2[N+](=O)[O-])cc1	ZINC000004362810	563670080	/nfs/dbraw/zinc/67/00/80/563670080.db2.gz	RXMAWDAFFXYYHI-UHFFFAOYSA-N	-1	0	342.376	3.857	50	5		EHBARM
CCOC(=O)C(Sc1ccc([N+](=O)[O-])cc1)=C([O-])c1ccccc1	ZINC000002164950	564120171	/nfs/dbraw/zinc/12/01/71/564120171.db2.gz	LPXZATUHUTVMQJ-INIZCTEOSA-N	-1	0	345.376	3.502	50	5		EHBARM
Cc1cnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)c2)o1	ZINC000066932039	564164732	/nfs/dbraw/zinc/16/47/32/564164732.db2.gz	TZJSILHUPBXBCM-UHFFFAOYSA-N	-1	0	339.307	3.516	50	5		EHBARM
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000015554522	564068045	/nfs/dbraw/zinc/06/80/45/564068045.db2.gz	RYXFHLGXNXNIRU-UHFFFAOYSA-N	-1	0	342.395	3.870	50	5		EHBARM
O=C([O-])c1cc([N+](=O)[O-])c(NCCC2=CCCCC2)c([N+](=O)[O-])c1	ZINC000004660157	563963521	/nfs/dbraw/zinc/96/35/21/563963521.db2.gz	MRRYUBVKSSVFLN-UHFFFAOYSA-N	-1	0	335.316	3.504	50	5		EHBARM
CC(C)(C)c1ccc(C(=O)[O-])c(C(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000005553434	564078092	/nfs/dbraw/zinc/07/80/92/564078092.db2.gz	WRAZSDRPPNCYNZ-UHFFFAOYSA-N	-1	0	327.336	3.822	50	5		EHBARM
Cc1ccc(-c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(=O)n3[n-]2)cc1	ZINC000006556812	1043441289	/nfs/dbraw/zinc/44/12/89/1043441289.db2.gz	JISZUSXFSQHDHH-UHFFFAOYSA-N	-1	0	346.346	3.986	50	5		EHBARM
CC(C)Oc1ccccc1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000096920010	201378353	/nfs/dbraw/zinc/37/83/53/201378353.db2.gz	XSQKLAJUSGUJJC-FPLPWBNLSA-N	-1	0	328.324	3.646	50	5		EHBARM
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)[O-])[C@@H]12	ZINC000227044403	242119851	/nfs/dbraw/zinc/11/98/51/242119851.db2.gz	OWUSYBWTCKRERJ-ZDXGLAPJSA-N	-1	0	344.411	3.625	50	5		EHBARM
CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000304862	563990833	/nfs/dbraw/zinc/99/08/33/563990833.db2.gz	HNERGGMMDMHFSL-GFCCVEGCSA-N	-1	0	334.397	3.909	50	5		EHBARM
Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c([N+](=O)[O-])c1	ZINC000003833461	564159466	/nfs/dbraw/zinc/15/94/66/564159466.db2.gz	MHZWFRKHSBWVKD-UHFFFAOYSA-N	-1	0	334.397	3.629	50	5		EHBARM
O=C1CC(c2ccccc2)CC([O-])=C1Sc1ccccc1[N+](=O)[O-]	ZINC000103117325	219256823	/nfs/dbraw/zinc/25/68/23/219256823.db2.gz	CVKXTYKGXUQQPQ-UHFFFAOYSA-N	-1	0	341.388	3.771	50	5	in-vitro	EHBARM
COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc([N+](=O)[O-])c1[O-]	ZINC000036057473	213058891	/nfs/dbraw/zinc/05/88/91/213058891.db2.gz	IYLMLDPAYYLONF-FNORWQNLSA-N	-1	0	338.319	3.733	50	5		EHBARM
C[C@H]1C[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-]	ZINC000012601118	564060407	/nfs/dbraw/zinc/06/04/07/564060407.db2.gz	UMXKKLYLHKHHNY-KWQFWETISA-N	-1	0	346.364	3.616	50	5		EHBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c(C2=C([O-])c3ccccc3CCC2)s1	ZINC000005379313	564003163	/nfs/dbraw/zinc/00/31/63/564003163.db2.gz	LMEUOAHRDZPGFL-LLVKDONJSA-N	-1	0	332.337	3.867	50	5		EHBARM
Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000476799	564006144	/nfs/dbraw/zinc/00/61/44/564006144.db2.gz	PWVKNVYIUGRSLV-UHFFFAOYSA-N	-1	0	334.397	3.827	50	5		EHBARM
O=c1cc(C=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]c2ccccc12	ZINC000015016946	564018365	/nfs/dbraw/zinc/01/83/65/564018365.db2.gz	MMMNAXCVWHGUIA-AATRIKPKSA-N	-1	0	342.738	3.966	50	5		EHBARM
Cc1ccc(-c2nc(CNCc3cc([O-])ccc3[N+](=O)[O-])co2)cc1	ZINC000089641200	564112842	/nfs/dbraw/zinc/11/28/42/564112842.db2.gz	CTKCXYGHTGWMFQ-UHFFFAOYSA-N	-1	0	339.351	3.554	50	5		EHBARM
O=c1oc2ccc(Cl)cc2cc1-c1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000020615298	212155876	/nfs/dbraw/zinc/15/58/76/212155876.db2.gz	HUXLULNFTZUEEQ-UHFFFAOYSA-N	-1	0	341.710	3.898	50	5		EHBARM
O=[N+]([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000005945019	564057201	/nfs/dbraw/zinc/05/72/01/564057201.db2.gz	VJSVYFNMBCOLAM-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
Cc1ccc(C)c(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000022342384	564149205	/nfs/dbraw/zinc/14/92/05/564149205.db2.gz	OHWQQPLHLSWMCP-UHFFFAOYSA-N	-1	0	331.284	3.562	50	5		EHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1	ZINC000000282325	563990165	/nfs/dbraw/zinc/99/01/65/563990165.db2.gz	WOHGJPOODSNDRI-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
CCOC(=O)C(Sc1ccc([N+](=O)[O-])cc1)=C([O-])c1ccccc1	ZINC000002164948	564120146	/nfs/dbraw/zinc/12/01/46/564120146.db2.gz	LPXZATUHUTVMQJ-MRXNPFEDSA-N	-1	0	345.376	3.502	50	5		EHBARM
CCN(CC)c1ccc2nc3c4cc([O-])ccc4c(=O)cc-3oc2c1	ZINC000004521021	210213806	/nfs/dbraw/zinc/21/38/06/210213806.db2.gz	BQNBSFWYKVAWQF-UHFFFAOYSA-N	-1	0	334.375	3.998	50	5		EHBARM
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000003997621	210097632	/nfs/dbraw/zinc/09/76/32/210097632.db2.gz	KBZIQGIZYPPJSK-UHFFFAOYSA-N	-1	0	334.397	3.693	50	5		EHBARM
O=C([O-])c1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc21	ZINC000000752074	209685283	/nfs/dbraw/zinc/68/52/83/209685283.db2.gz	DHOPFLFAWOZQIL-UHFFFAOYSA-N	-1	0	336.303	3.699	50	5		EHBARM
COc1cc(CNc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1[O-]	ZINC000035335424	213022039	/nfs/dbraw/zinc/02/20/39/213022039.db2.gz	WXGLNXXETMPFBC-UHFFFAOYSA-N	-1	0	326.711	3.714	50	5		EHBARM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3ccccc3)[n-]n21	ZINC000005731520	564024565	/nfs/dbraw/zinc/02/45/65/564024565.db2.gz	BCXORHJVVAIMBA-UHFFFAOYSA-N	-1	0	332.319	3.677	50	5		EHBARM
Cc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)c([N+](=O)[O-])c1	ZINC000000613860	564031824	/nfs/dbraw/zinc/03/18/24/564031824.db2.gz	CRTNZJAELPVYEQ-UHFFFAOYSA-N	-1	0	342.376	3.857	50	5		EHBARM
O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000095965084	564142899	/nfs/dbraw/zinc/14/28/99/564142899.db2.gz	ZKLZZSAIXVPTCY-UHFFFAOYSA-N	-1	0	344.327	3.505	50	5		EHBARM
Cc1cc(C)cc(Nc2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000670417725	564151028	/nfs/dbraw/zinc/15/10/28/564151028.db2.gz	JNHQPPXWQIHVQF-UHFFFAOYSA-N	-1	0	331.284	3.562	50	5		EHBARM
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)[O-])[C@H]12	ZINC000102785556	219231101	/nfs/dbraw/zinc/23/11/01/219231101.db2.gz	OWUSYBWTCKRERJ-MVWRLGRASA-N	-1	0	344.411	3.625	50	5		EHBARM
Cc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1-c1cccc(Cl)c1	ZINC000001400720	564064979	/nfs/dbraw/zinc/06/49/79/564064979.db2.gz	YQXGYLGOUOFKMJ-UHFFFAOYSA-N	-1	0	329.743	3.703	50	5		EHBARM
O=[N+]([O-])c1cccc(-c2ccc(-c3nc(-c4ccccc4)oc3[O-])o2)c1	ZINC000100720457	219105320	/nfs/dbraw/zinc/10/53/20/219105320.db2.gz	QUAWGRKZXXPCJV-QGZVFWFLSA-N	-1	0	348.314	3.900	50	5		EHBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000104225883	219363022	/nfs/dbraw/zinc/36/30/22/219363022.db2.gz	UAQXECLUCCIJFV-UHFFFAOYSA-N	-1	0	338.663	3.808	50	5		EHBARM
Cc1nn(-c2cccc(C(=O)[O-])c2)c(C)c1-c1cccc([N+](=O)[O-])c1	ZINC000000239310	209499175	/nfs/dbraw/zinc/49/91/75/209499175.db2.gz	OHJXPBNGUJXOHX-UHFFFAOYSA-N	-1	0	337.335	3.763	50	5		EHBARM
CCc1cccc(CC)c1NC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000075284285	216604244	/nfs/dbraw/zinc/60/42/44/216604244.db2.gz	SPAZOGNJZYTVQC-UHFFFAOYSA-N	-1	0	342.351	3.670	50	5		EHBARM
CC(=O)OCc1ccccc1Sc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000000086241	563974614	/nfs/dbraw/zinc/97/46/14/563974614.db2.gz	DVHLXAQIIXDSOD-UHFFFAOYSA-N	-1	0	347.348	3.507	50	5		EHBARM
O=C(Nc1ccc(SC(F)F)cc1)c1cccc([O-])c1[N+](=O)[O-]	ZINC000252484538	563997741	/nfs/dbraw/zinc/99/77/41/563997741.db2.gz	FYWSBDSFWYNRQB-UHFFFAOYSA-N	-1	0	340.307	3.867	50	5		EHBARM
O=[N+]([O-])c1ccc([N-]c2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])c1	ZINC000004957474	1042694598	/nfs/dbraw/zinc/69/45/98/1042694598.db2.gz	PTZCWRGCABXZIU-UHFFFAOYSA-N	-1	0	349.171	3.942	50	5		EHBARM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc2ccccc2s1	ZINC000100580545	219102245	/nfs/dbraw/zinc/10/22/45/219102245.db2.gz	ZCEKCPVJFHSFDA-UHFFFAOYSA-N	-1	0	338.348	3.763	50	5		EHBARM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1[O-]	ZINC000003874496	210082587	/nfs/dbraw/zinc/08/25/87/210082587.db2.gz	RJMUSRYZPJIFPJ-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5	aggregator,world	EHBARM
O=C(Cc1ccc(Cl)cc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000095464838	218404850	/nfs/dbraw/zinc/40/48/50/218404850.db2.gz	JFEBTZSFMHWPJT-UHFFFAOYSA-N	-1	0	341.150	3.788	50	5		EHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1	ZINC000000335648	563991304	/nfs/dbraw/zinc/99/13/04/563991304.db2.gz	UPAOZTLUVBPHPR-UHFFFAOYSA-N	-1	0	328.349	3.549	50	5		EHBARM
O=C([O-])CCCCCNc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004179463	210139670	/nfs/dbraw/zinc/13/96/70/210139670.db2.gz	RZQCYMUHAPYLQP-UHFFFAOYSA-N	-1	0	347.327	3.713	50	5		EHBARM
Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1C(=O)[O-]	ZINC000000434963	209599041	/nfs/dbraw/zinc/59/90/41/209599041.db2.gz	FOXJKARPGUPVCD-UHFFFAOYSA-N	-1	0	334.715	3.507	50	5		EHBARM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1cccc(Cl)c1	ZINC000071195817	563931976	/nfs/dbraw/zinc/93/19/76/563931976.db2.gz	ZQJNYYMTBCFQLJ-UHFFFAOYSA-N	-1	0	337.675	3.598	50	5		EHBARM
Cc1oc2c(C)c([O-])ccc2c(=O)c1Oc1ccc([N+](=O)[O-])cc1	ZINC000006796024	564097943	/nfs/dbraw/zinc/09/79/43/564097943.db2.gz	YTJVMWKGFSCDSI-UHFFFAOYSA-N	-1	0	327.292	3.816	50	5		EHBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000002141591	564119354	/nfs/dbraw/zinc/11/93/54/564119354.db2.gz	HQJCJSABSGTEQJ-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)c1cc(Cl)ccc1Cl	ZINC000000503363	564019175	/nfs/dbraw/zinc/01/91/75/564019175.db2.gz	UANQOVJIUIADMD-UHFFFAOYSA-N	-1	0	340.118	3.831	50	5		EHBARM
Cc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000041125376	564173390	/nfs/dbraw/zinc/17/33/90/564173390.db2.gz	PKSHQHJMGHJLDN-UHFFFAOYSA-N	-1	0	334.715	3.507	50	5		EHBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1	ZINC000008156858	564163231	/nfs/dbraw/zinc/16/32/31/564163231.db2.gz	OMBLKDFJKUMJBW-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
CC(C)c1nc(/C=C\c2ccc(F)c([N+](=O)[O-])c2)ncc1C(=O)[O-]	ZINC000588611925	1033058561	/nfs/dbraw/zinc/05/85/61/1033058561.db2.gz	QVPLEZOWYHTKEM-XQRVVYSFSA-N	-1	0	331.303	3.516	50	5		EHBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000004148264	210132187	/nfs/dbraw/zinc/13/21/87/210132187.db2.gz	IIBIDMQMPLQCBT-UHFFFAOYSA-N	-1	0	328.349	3.549	50	5		EHBARM
O=C([O-])c1ccc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c1	ZINC000005158535	563995557	/nfs/dbraw/zinc/99/55/57/563995557.db2.gz	NIFOINMHXQXHAX-UHFFFAOYSA-N	-1	0	337.129	3.799	50	5		EHBARM
C[C@@H]1C[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-]	ZINC000012601121	564060384	/nfs/dbraw/zinc/06/03/84/564060384.db2.gz	UMXKKLYLHKHHNY-LDYMZIIASA-N	-1	0	346.364	3.616	50	5		EHBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1	ZINC000006919712	564101378	/nfs/dbraw/zinc/10/13/78/564101378.db2.gz	DNAKZVMRNXAETE-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
O=C([O-])c1ccc(NCCSCc2ccccc2)c([N+](=O)[O-])c1	ZINC000005799916	564052233	/nfs/dbraw/zinc/05/22/33/564052233.db2.gz	IXCVCXAVDUQJHX-UHFFFAOYSA-N	-1	0	332.381	3.638	50	5		EHBARM
Cc1ccc(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C	ZINC000071195820	564110828	/nfs/dbraw/zinc/11/08/28/564110828.db2.gz	NHCJNCGKOQZACB-UHFFFAOYSA-N	-1	0	331.284	3.562	50	5		EHBARM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2ccccc21	ZINC000000190265	209474470	/nfs/dbraw/zinc/47/44/70/209474470.db2.gz	RKDTUYXVFPLGEP-UHFFFAOYSA-N	-1	0	336.303	3.699	50	5		EHBARM
O=C(c1ccc2[n-]c(=S)oc2c1)N1Cc2ccc([N+](=O)[O-])cc2C1	ZINC000074091342	564000105	/nfs/dbraw/zinc/00/01/05/564000105.db2.gz	AFUHWAZXLRFQDL-UHFFFAOYSA-N	-1	0	341.348	3.555	50	5		EHBARM
O=[N+]([O-])c1cccc(-c2ccc(-c3nc(-c4ccccc4)oc3[O-])o2)c1	ZINC000000502417	564019081	/nfs/dbraw/zinc/01/90/81/564019081.db2.gz	QUAWGRKZXXPCJV-KRWDZBQOSA-N	-1	0	348.314	3.900	50	5		EHBARM
O=C([O-])c1ccc(Cl)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000004695747	210250811	/nfs/dbraw/zinc/25/08/11/210250811.db2.gz	XDAKLGNYEHVCBW-QPJJXVBHSA-N	-1	0	346.726	3.598	50	5		EHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1	ZINC000000271892	563990075	/nfs/dbraw/zinc/99/00/75/563990075.db2.gz	RKWRGMIXDFJWGJ-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
C[C@H]1C[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-]	ZINC000012601124	564060383	/nfs/dbraw/zinc/06/03/83/564060383.db2.gz	UMXKKLYLHKHHNY-GZMMTYOYSA-N	-1	0	346.364	3.616	50	5		EHBARM
Cc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)o2)cc1C	ZINC000005372023	564005946	/nfs/dbraw/zinc/00/59/46/564005946.db2.gz	XSBUEFSYAQWZFZ-UHFFFAOYSA-N	-1	0	344.352	3.575	50	5		EHBARM
Cc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1-c1ccc(Cl)cc1	ZINC000001400715	564064976	/nfs/dbraw/zinc/06/49/76/564064976.db2.gz	KAXSAZSEJCXDQN-UHFFFAOYSA-N	-1	0	329.743	3.703	50	5		EHBARM
C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(F)c1	ZINC000095465423	564140946	/nfs/dbraw/zinc/14/09/46/564140946.db2.gz	PLUFNZDSDZJCMX-MRVPVSSYSA-N	-1	0	338.722	3.835	50	5		EHBARM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2[N+](=O)[O-])cc1	ZINC000004706244	210255486	/nfs/dbraw/zinc/25/54/86/210255486.db2.gz	LHHOGBQFTAQVCK-UHFFFAOYSA-N	-1	0	334.397	3.693	50	5		EHBARM
CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035867454	213050065	/nfs/dbraw/zinc/05/00/65/213050065.db2.gz	GTIOUOABDNOUQH-GFCCVEGCSA-N	-1	0	344.367	3.831	50	5		EHBARM
COc1cc(CNc2ccc(-c3cnco3)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000089424146	564090560	/nfs/dbraw/zinc/09/05/60/564090560.db2.gz	OZBNTHSCHZCQTG-UHFFFAOYSA-N	-1	0	341.323	3.576	50	5		EHBARM
Cc1c(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cccc1[N+](=O)[O-]	ZINC000002780048	564152569	/nfs/dbraw/zinc/15/25/69/564152569.db2.gz	KLZMSRMMMLQZAX-UHFFFAOYSA-N	-1	0	346.211	3.851	50	5		EHBARM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1	ZINC000003129773	564155288	/nfs/dbraw/zinc/15/52/88/564155288.db2.gz	KRUBYOOIQOJMJB-UHFFFAOYSA-N	-1	0	340.788	3.666	50	5		EHBARM
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)ccc1[O-]	ZINC000004014138	210100429	/nfs/dbraw/zinc/10/04/29/210100429.db2.gz	VWSKRILNQAZWQP-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5		EHBARM
O=C([O-])c1ccc(Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1	ZINC000003913766	210094148	/nfs/dbraw/zinc/09/41/48/210094148.db2.gz	NNPOTRWIYQWPAU-UHFFFAOYSA-N	-1	0	342.229	3.935	50	5		EHBARM
O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000003154487	209971080	/nfs/dbraw/zinc/97/10/80/209971080.db2.gz	VTDSVXSFYHYXAQ-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5		EHBARM
O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C(=O)N1c1ccccc1	ZINC000023634482	212385932	/nfs/dbraw/zinc/38/59/32/212385932.db2.gz	QFBFNZBDUOIJHK-NTEUORMPSA-N	-1	0	342.332	3.541	50	5		EHBARM
Cc1coc(-c2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)n1	ZINC000097112867	563967854	/nfs/dbraw/zinc/96/78/54/563967854.db2.gz	YLUMIJMUNWCZKH-UHFFFAOYSA-N	-1	0	339.307	3.516	50	5		EHBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1	ZINC000000168288	564001050	/nfs/dbraw/zinc/00/10/50/564001050.db2.gz	JGUSYPCMGUFLIW-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
CC(C)(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000035832780	213050985	/nfs/dbraw/zinc/05/09/85/213050985.db2.gz	SJHCNQQWDLMJQD-UHFFFAOYSA-N	-1	0	344.367	3.615	50	5		EHBARM
O=C([O-])CCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000000264090	209509505	/nfs/dbraw/zinc/50/95/05/209509505.db2.gz	CGRVYDUXWURBKY-UHFFFAOYSA-N	-1	0	346.364	3.549	50	5		EHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1	ZINC000000223806	563988814	/nfs/dbraw/zinc/98/88/14/563988814.db2.gz	CESKQHYZASUISQ-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000252507426	564119942	/nfs/dbraw/zinc/11/99/42/564119942.db2.gz	WLEMQUIRPBTOLS-UHFFFAOYSA-N	-1	0	336.731	3.605	50	5		EHBARM
O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	ZINC000003260398	564156720	/nfs/dbraw/zinc/15/67/20/564156720.db2.gz	SXEMOKJMUGXOSV-MDZDMXLPSA-N	-1	0	335.319	3.545	50	5		EHBARM
O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004842607	210296467	/nfs/dbraw/zinc/29/64/67/210296467.db2.gz	ANUOLFWEGAWLKV-UHFFFAOYSA-N	-1	0	338.772	3.685	50	5		EHBARM
O=C([O-])c1cc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc2c1O	ZINC000004831606	210291105	/nfs/dbraw/zinc/29/11/05/210291105.db2.gz	DBNQZGPCPCXGCX-UHFFFAOYSA-N	-1	0	325.276	3.944	50	5		EHBARM
Cc1cccc([N+](=O)[O-])c1C(=O)C=C([O-])c1c(C)cccc1[N+](=O)[O-]	ZINC000201233675	564034254	/nfs/dbraw/zinc/03/42/54/564034254.db2.gz	KEVUTEYYZVLVEO-UHFFFAOYSA-N	-1	0	342.307	3.576	50	5		EHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1	ZINC000004739954	210266066	/nfs/dbraw/zinc/26/60/66/210266066.db2.gz	KVFYLHIWYKOHQC-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1[O-]	ZINC000004300057	210164220	/nfs/dbraw/zinc/16/42/20/210164220.db2.gz	UYZONCZYCWUZBV-UHFFFAOYSA-N	-1	0	326.230	3.572	50	5		EHBARM
O=C([O-])/C(=C\c1c(Br)cccc1[N+](=O)[O-])c1ccccc1	ZINC000009953976	211136030	/nfs/dbraw/zinc/13/60/30/211136030.db2.gz	GPDXWZVMYYWYDJ-LUAWRHEFSA-N	-1	0	348.152	3.983	50	5		EHBARM
O=C1[N-]C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1	ZINC000000073216	563973641	/nfs/dbraw/zinc/97/36/41/563973641.db2.gz	OLIVDXDYWYPSHJ-IZZDOVSWSA-N	-1	0	333.687	3.529	50	5		EHBARM
Cc1[n-]n2c(nc(-c3ccc([N+](=O)[O-])cc3)cc2=O)c1-c1ccccc1	ZINC000102567202	564020337	/nfs/dbraw/zinc/02/03/37/564020337.db2.gz	LGPYKAWVSJIZSN-UHFFFAOYSA-N	-1	0	346.346	3.573	50	5		EHBARM
O=C([O-])c1cc(Cl)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000005944434	564057217	/nfs/dbraw/zinc/05/72/17/564057217.db2.gz	AYFXDSBPQMKMIW-QPJJXVBHSA-N	-1	0	346.726	3.598	50	5		EHBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1	ZINC000003886431	564057809	/nfs/dbraw/zinc/05/78/09/564057809.db2.gz	CJAVNYJBBIGXPQ-UHFFFAOYSA-N	-1	0	340.379	3.752	50	5		EHBARM
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cc2ccccc2o1	ZINC000013001081	564135859	/nfs/dbraw/zinc/13/58/59/564135859.db2.gz	NYAGKIUQJLQFPJ-JTQLQIEISA-N	-1	0	326.308	3.538	50	5		EHBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000003885262	210084022	/nfs/dbraw/zinc/08/40/22/210084022.db2.gz	IMDRFAQPVVSKJD-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
Cc1noc(-c2ccccc2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000097141922	563968190	/nfs/dbraw/zinc/96/81/90/563968190.db2.gz	KSMSGJCXICJUDW-UHFFFAOYSA-N	-1	0	339.307	3.516	50	5		EHBARM
CC(C)Oc1ccccc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000021629896	212235201	/nfs/dbraw/zinc/23/52/01/212235201.db2.gz	XSQKLAJUSGUJJC-BQYQJAHWSA-N	-1	0	328.324	3.646	50	5		EHBARM
COc1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(F)(F)F	ZINC000085210182	217656049	/nfs/dbraw/zinc/65/60/49/217656049.db2.gz	MTDJGXASNFJIEW-UHFFFAOYSA-N	-1	0	341.241	3.987	50	5		EHBARM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000000241310	563989158	/nfs/dbraw/zinc/98/91/58/563989158.db2.gz	BXRBKDUFNFSPBZ-UHFFFAOYSA-N	-1	0	340.788	3.666	50	5		EHBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2ccccc2c1[O-]	ZINC000004582386	210226326	/nfs/dbraw/zinc/22/63/26/210226326.db2.gz	VIOLPSJWXSBLRV-UHFFFAOYSA-N	-1	0	338.319	3.715	50	5		EHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3ccccc32)c1	ZINC000003877696	210082426	/nfs/dbraw/zinc/08/24/26/210082426.db2.gz	WIFWFLHGNPQTSE-UHFFFAOYSA-N	-1	0	328.349	3.549	50	5		EHBARM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	ZINC000004865380	210305809	/nfs/dbraw/zinc/30/58/09/210305809.db2.gz	ZIHWGAIUGNNWJP-UHFFFAOYSA-N	-1	0	340.788	3.666	50	5		EHBARM
CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000304864	563990783	/nfs/dbraw/zinc/99/07/83/563990783.db2.gz	HNERGGMMDMHFSL-LBPRGKRZSA-N	-1	0	334.397	3.909	50	5		EHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000000449834	563999603	/nfs/dbraw/zinc/99/96/03/563999603.db2.gz	PQKIMVCBRAJXGP-UHFFFAOYSA-N	-1	0	328.349	3.549	50	5		EHBARM
O=[N+]([O-])c1cnc([N-]c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1	ZINC000003879143	210083323	/nfs/dbraw/zinc/08/33/23/210083323.db2.gz	GELYKTOFGPXVFD-UHFFFAOYSA-N	-1	0	329.099	3.948	50	5		EHBARM
CC(C)Oc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000040139805	213270836	/nfs/dbraw/zinc/27/08/36/213270836.db2.gz	DPWAEJMXHVDJKT-VMPITWQZSA-N	-1	0	328.324	3.646	50	5		EHBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1	ZINC000004845496	210298035	/nfs/dbraw/zinc/29/80/35/210298035.db2.gz	OFDQHKLIWUWMGK-UHFFFAOYSA-N	-1	0	347.179	3.702	50	5		EHBARM
O=C([O-])c1c(F)c(F)c(Oc2ccc([N+](=O)[O-])cc2)c(F)c1F	ZINC000004772899	210275355	/nfs/dbraw/zinc/27/53/55/210275355.db2.gz	JFUPKMUVMNKQBK-UHFFFAOYSA-N	-1	0	331.177	3.642	50	5		EHBARM
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)[O-])[C@@H]12	ZINC000005348558	564002963	/nfs/dbraw/zinc/00/29/63/564002963.db2.gz	OWUSYBWTCKRERJ-BFIPOCKSSA-N	-1	0	344.411	3.625	50	5		EHBARM
CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])c1nc3ccc4ncccc4c3nc12	ZINC000003999783	210097845	/nfs/dbraw/zinc/09/78/45/210097845.db2.gz	XKGSWHLEWGEIKY-UXHICEINSA-N	-1	0	333.391	3.592	50	5	biogenic	EHBARM
O=C([O-])c1cc(-c2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1	ZINC000085476724	563986387	/nfs/dbraw/zinc/98/63/87/563986387.db2.gz	ZMLDVKJABWTHCE-UHFFFAOYSA-N	-1	0	327.214	3.859	50	5		EHBARM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2ccccc2c1	ZINC000000190241	563988123	/nfs/dbraw/zinc/98/81/23/563988123.db2.gz	YBCFXEXIXKNMBT-UHFFFAOYSA-N	-1	0	336.303	3.699	50	5		EHBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1	ZINC000102131083	219187483	/nfs/dbraw/zinc/18/74/83/219187483.db2.gz	QMPWGARCTWZXSS-UHFFFAOYSA-N	-1	0	327.365	3.946	50	5		EHBARM
Cc1ccc(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])c(Cl)c1	ZINC000000137679	563986905	/nfs/dbraw/zinc/98/69/05/563986905.db2.gz	QFFCYVWDTAZLEK-UHFFFAOYSA-N	-1	0	334.715	3.507	50	5		EHBARM
C[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-]	ZINC000012601116	564060389	/nfs/dbraw/zinc/06/03/89/564060389.db2.gz	UMXKKLYLHKHHNY-KCJUWKMLSA-N	-1	0	346.364	3.616	50	5		EHBARM
COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])c([N+](=O)[O-])c1	ZINC000003997694	210097674	/nfs/dbraw/zinc/09/76/74/210097674.db2.gz	IAYYUHKCMUERMO-UHFFFAOYSA-N	-1	0	338.319	3.715	50	5		EHBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2ccccc2c1	ZINC000000044153	209386420	/nfs/dbraw/zinc/38/64/20/209386420.db2.gz	HBWWYSCNISQOGN-UHFFFAOYSA-N	-1	0	336.303	3.699	50	5		EHBARM
O=C([O-])c1ccc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc1	ZINC000096221374	564092396	/nfs/dbraw/zinc/09/23/96/564092396.db2.gz	QXXQXDPURAPVCB-UHFFFAOYSA-N	-1	0	345.314	3.928	50	5	biogenic	EHBARM
O=C(Nc1c(Cl)cccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-]	ZINC000059112444	564160559	/nfs/dbraw/zinc/16/05/59/564160559.db2.gz	IAYIFMJTINGJDW-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5		EHBARM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005924411	564057008	/nfs/dbraw/zinc/05/70/08/564057008.db2.gz	QAZMXUFZCPGORY-UHFFFAOYSA-N	-1	0	334.397	3.520	50	5		EHBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(C)cc1	ZINC000100848918	219108541	/nfs/dbraw/zinc/10/85/41/219108541.db2.gz	MRKIEWNFKOHLAN-QGZVFWFLSA-N	-1	0	337.379	3.603	50	5		EHBARM
Cc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])cc1C	ZINC000004314242	210168126	/nfs/dbraw/zinc/16/81/26/210168126.db2.gz	AACJWVBOCTXKHN-UHFFFAOYSA-N	-1	0	331.284	3.562	50	5		EHBARM
Cc1ccccc1-c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(=O)n2[n-]1	ZINC000005730812	210525327	/nfs/dbraw/zinc/52/53/27/210525327.db2.gz	DVERNFIMRUPLIJ-UHFFFAOYSA-N	-1	0	346.346	3.986	50	5		EHBARM
Cc1ccc(-c2cc3nccc(-c4cc([N+](=O)[O-])ccc4[O-])n3n2)cc1	ZINC000013362310	564136303	/nfs/dbraw/zinc/13/63/03/564136303.db2.gz	WUWAPDLVMSIFFL-UHFFFAOYSA-N	-1	0	346.346	3.986	50	5		EHBARM
Cc1ccc(C=C(Cl)c2nc(=O)c3sccc3[n-]2)cc1[N+](=O)[O-]	ZINC000009530905	211099224	/nfs/dbraw/zinc/09/92/24/211099224.db2.gz	SFDGWYFYCCJTKB-POHAHGRESA-N	-1	0	347.783	3.938	50	5		EHBARM
O=C([O-])c1c(C(=O)Nc2cccc3ccccc32)cccc1[N+](=O)[O-]	ZINC000001740188	257928024	/nfs/dbraw/zinc/92/80/24/257928024.db2.gz	DNNHWRZBVXBAIU-UHFFFAOYSA-N	-1	0	336.303	3.699	50	5		EHBARM
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000003154498	563984283	/nfs/dbraw/zinc/98/42/83/563984283.db2.gz	VYZOJBAUPOKHEN-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5		EHBARM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2ccccc2)CCCC1	ZINC000035227636	213015662	/nfs/dbraw/zinc/01/56/62/213015662.db2.gz	HGOCLSFPWBGFBU-UHFFFAOYSA-N	-1	0	326.352	3.751	50	5		EHBARM
Cc1nn(-c2ccc(C(=O)[O-])cc2)c(C)c1-c1cccc([N+](=O)[O-])c1	ZINC000000239312	563989092	/nfs/dbraw/zinc/98/90/92/563989092.db2.gz	CQCKHKLAXMJOFN-UHFFFAOYSA-N	-1	0	337.335	3.763	50	5		EHBARM
O=[N+]([O-])c1ccc([N-]c2nnc(-c3ccccc3)s2)c([N+](=O)[O-])c1	ZINC000005572330	564005687	/nfs/dbraw/zinc/00/56/87/564005687.db2.gz	VGPIMSIOIJPAOH-UHFFFAOYSA-N	-1	0	343.324	3.765	50	5		EHBARM
O=c1oc2ccccc2c([O-])c1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000006062531	564073296	/nfs/dbraw/zinc/07/32/96/564073296.db2.gz	VCIDRONHSXXLRH-ZDUSSCGKSA-N	-1	0	345.738	3.561	50	5		EHBARM
O=c1oc2ccccc2c([O-])c1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000006062533	564073303	/nfs/dbraw/zinc/07/33/03/564073303.db2.gz	VCIDRONHSXXLRH-CYBMUJFWSA-N	-1	0	345.738	3.561	50	5		EHBARM
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cc2ccccc2o1	ZINC000013001080	564135873	/nfs/dbraw/zinc/13/58/73/564135873.db2.gz	NYAGKIUQJLQFPJ-SNVBAGLBSA-N	-1	0	326.308	3.538	50	5		EHBARM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc(Cl)cc1	ZINC000004380479	210183312	/nfs/dbraw/zinc/18/33/12/210183312.db2.gz	KEEZFNXQFONMPG-UHFFFAOYSA-N	-1	0	337.675	3.598	50	5		EHBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2ccccc21	ZINC000000285177	563990246	/nfs/dbraw/zinc/99/02/46/563990246.db2.gz	HJSMVTXZZHXPPF-UHFFFAOYSA-N	-1	0	336.303	3.699	50	5		EHBARM
O=C1S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	ZINC000002904292	564152984	/nfs/dbraw/zinc/15/29/84/564152984.db2.gz	BKCLDODIPVFQTK-ZROIWOOFSA-N	-1	0	342.332	3.541	50	5		EHBARM
Cc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)o2)c(C)c1	ZINC000004479446	210197917	/nfs/dbraw/zinc/19/79/17/210197917.db2.gz	RPZGOARIDWGTRH-UHFFFAOYSA-N	-1	0	344.352	3.575	50	5		EHBARM
Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C	ZINC000032765601	563729600	/nfs/dbraw/zinc/72/96/00/563729600.db2.gz	YYTZZVGQDCWEGL-UHFFFAOYSA-N	-1	0	340.788	3.666	50	5		EHBARM
O=C([O-])c1oc(=O)c2ccccc2c1-c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005179988	563999882	/nfs/dbraw/zinc/99/98/82/563999882.db2.gz	IMUAHFKUWHTEEB-UHFFFAOYSA-N	-1	0	345.694	3.720	50	5		EHBARM
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)[O-])[C@H]12	ZINC000013575084	211583423	/nfs/dbraw/zinc/58/34/23/211583423.db2.gz	OWUSYBWTCKRERJ-PWDMQXDWSA-N	-1	0	344.411	3.625	50	5		EHBARM
Cc1ccc(N[C@@H](c2ccc(C)c([N+](=O)[O-])c2)[P@@](=O)([O-])O)cc1	ZINC000012523572	211398137	/nfs/dbraw/zinc/39/81/37/211398137.db2.gz	KEHVQUXLODLSLE-OAHLLOKOSA-N	-1	0	336.284	3.500	50	5		EHBARM
O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cccc([N+](=O)[O-])c1	ZINC000000041129	563968629	/nfs/dbraw/zinc/96/86/29/563968629.db2.gz	GIZBWWLDVUPLKQ-UHFFFAOYSA-N	-1	0	331.378	3.746	50	5		EHBARM
O=C([O-])c1ccc(SCc2cc(F)ccc2F)c([N+](=O)[O-])c1	ZINC000000257327	563989572	/nfs/dbraw/zinc/98/95/72/563989572.db2.gz	YNXMARWNLWMPQJ-UHFFFAOYSA-N	-1	0	325.292	3.864	50	5		EHBARM
O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccccc1[N+](=O)[O-]	ZINC000002765534	564152491	/nfs/dbraw/zinc/15/24/91/564152491.db2.gz	RCWKHGKMFRCHKH-UHFFFAOYSA-N	-1	0	332.184	3.543	50	5		EHBARM
O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1	ZINC000000470575	564006222	/nfs/dbraw/zinc/00/62/22/564006222.db2.gz	FZAMBMKAXZLXNJ-UHFFFAOYSA-N	-1	0	327.123	3.860	50	5		EHBARM