smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000020265295	202036505	/nfs/dbraw/zinc/03/65/05/202036505.db2.gz	VODTUICCECVDQV-OAHLLOKOSA-N	-1	1	346.295	2.599	40	5		EFBBMM
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000020265292	202036870	/nfs/dbraw/zinc/03/68/70/202036870.db2.gz	VODTUICCECVDQV-HNNXBMFYSA-N	-1	1	346.295	2.599	40	5		EFBBMM
COCc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000026547339	202145646	/nfs/dbraw/zinc/14/56/46/202145646.db2.gz	HZYKAQXVCNZFFI-UHFFFAOYSA-N	-1	1	336.369	2.850	40	5		EFBBMM
O=C([N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000104335961	274995942	/nfs/dbraw/zinc/99/59/42/274995942.db2.gz	NXZRMHHKKKQHEE-UHFFFAOYSA-N	-1	1	332.228	2.664	40	5		EFBBMM
COc1ccc2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000009010338	471709302	/nfs/dbraw/zinc/70/93/02/471709302.db2.gz	PVRRXJVEMQMRHW-CLFYSBASSA-N	-1	1	339.307	2.716	40	5		EFBBMM
O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccn2)n[nH]1	ZINC000408583421	476968370	/nfs/dbraw/zinc/96/83/70/476968370.db2.gz	ULUNUWMLXCXPGP-UHFFFAOYSA-N	-1	1	327.325	2.739	40	5		EFBBMM
CCCc1cc(=O)[n-]c(SCc2cc([N+](=O)[O-])ccc2OC)n1	ZINC000011443437	211216374	/nfs/dbraw/zinc/21/63/74/211216374.db2.gz	ZTAPMTUCGYDBDG-UHFFFAOYSA-N	-1	1	335.385	2.932	40	5		EFBBMM
COc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1F	ZINC000007361102	471608798	/nfs/dbraw/zinc/60/87/98/471608798.db2.gz	GISVWHFDLFXWQK-UHFFFAOYSA-N	-1	1	340.332	2.852	40	5		EFBBMM
O=[N+]([O-])c1cccc(CNn2c(-c3ccncc3)n[n-]c2=S)c1	ZINC000007602031	471623766	/nfs/dbraw/zinc/62/37/66/471623766.db2.gz	UCFKMBVZEPETFW-UHFFFAOYSA-N	-1	1	328.357	2.655	40	5		EFBBMM
COc1ccc(-c2ccc(C=C3NC(=S)[N-]C3=O)o2)c([N+](=O)[O-])c1	ZINC000012691427	471790690	/nfs/dbraw/zinc/79/06/90/471790690.db2.gz	RXMJNZXSJIEJCC-WDZFZDKYSA-N	-1	1	345.336	2.620	40	5		EFBBMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000194020840	473828911	/nfs/dbraw/zinc/82/89/11/473828911.db2.gz	MYCSJOZSFOKDQO-SECBINFHSA-N	-1	1	349.293	2.603	40	5		EFBBMM
O=C([O-])CCSc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1	ZINC000224973066	474201003	/nfs/dbraw/zinc/20/10/03/474201003.db2.gz	YIHXBSDNAXHUFW-UHFFFAOYSA-N	-1	1	328.737	2.600	40	5		EFBBMM
CC[C@H](Sc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1)C(=O)[O-]	ZINC000224976461	474201314	/nfs/dbraw/zinc/20/13/14/474201314.db2.gz	QXBSBFUBEPAECI-VIFPVBQESA-N	-1	1	342.764	2.989	40	5		EFBBMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000226862603	534892719	/nfs/dbraw/zinc/89/27/19/534892719.db2.gz	AXDMGOHUCGEUSU-UHFFFAOYSA-N	-1	1	338.316	2.737	40	5		EFBBMM
O=c1cc([O-])n(-c2ccccc2)c(=S)n1-c1cccc([N+](=O)[O-])c1	ZINC000000045682	471318447	/nfs/dbraw/zinc/31/84/47/471318447.db2.gz	MKBNMUIVYPZBIR-UHFFFAOYSA-N	-1	1	341.348	2.650	40	5		EFBBMM
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2NC(=S)[N-]C2=O)o1	ZINC000000176945	471331906	/nfs/dbraw/zinc/33/19/06/471331906.db2.gz	ISUYVFURJRRILF-YRNVUSSQSA-N	-1	1	345.336	2.620	40	5		EFBBMM
O=[N+]([O-])c1cccc([C@H](NCc2cccs2)[P@@](=O)([O-])O)c1	ZINC000012949548	471808379	/nfs/dbraw/zinc/80/83/79/471808379.db2.gz	OVXMVPVXNXFLAY-GFCCVEGCSA-N	-1	1	328.286	2.622	40	5		EFBBMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1	ZINC000074931607	473097775	/nfs/dbraw/zinc/09/77/75/473097775.db2.gz	QADSQOYJUYZOIB-UHFFFAOYSA-N	-1	1	347.396	2.996	40	5		EFBBMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccsc2)CC1	ZINC000194032885	473830718	/nfs/dbraw/zinc/83/07/18/473830718.db2.gz	PGPCYHHOOQLLCV-UHFFFAOYSA-N	-1	1	333.369	2.777	40	5		EFBBMM
COC(=O)c1ccc(Sc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000078406563	217049240	/nfs/dbraw/zinc/04/92/40/217049240.db2.gz	LZOFGTLLQHMVMY-UHFFFAOYSA-N	-1	1	348.262	2.670	40	5		EFBBMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000007053979	471587773	/nfs/dbraw/zinc/58/77/73/471587773.db2.gz	KJAONXRKKBNFJR-UHFFFAOYSA-N	-1	1	349.368	2.662	40	5		EFBBMM
O=[N+]([O-])c1ccc([C@@H](NCc2ccc(F)cc2)[P@@](=O)([O-])O)cc1	ZINC000012949490	471808326	/nfs/dbraw/zinc/80/83/26/471808326.db2.gz	JJVRQNFWIUPJSX-AWEZNQCLSA-N	-1	1	340.247	2.700	40	5		EFBBMM
CC(=O)Nc1nc(C)c(CC/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1	ZINC000017040192	471953573	/nfs/dbraw/zinc/95/35/73/471953573.db2.gz	VNHVKOPWBCUPOO-HWKANZROSA-N	-1	1	342.355	2.591	40	5		EFBBMM
C[C@@H](Sc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1)C(=O)[O-]	ZINC000224974521	474201433	/nfs/dbraw/zinc/20/14/33/474201433.db2.gz	BHGIKLLSQPLDQB-RXMQYKEDSA-N	-1	1	328.737	2.599	40	5		EFBBMM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1F	ZINC000055555062	214329526	/nfs/dbraw/zinc/32/95/26/214329526.db2.gz	LZJIMJGSMXQQKI-UHFFFAOYSA-N	-1	1	344.295	2.682	40	5		EFBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1F	ZINC000192671415	240056676	/nfs/dbraw/zinc/05/66/76/240056676.db2.gz	XUXXNBISVWQJRP-UHFFFAOYSA-N	-1	1	340.332	2.852	40	5		EFBBMM
COc1cccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000226862522	205161195	/nfs/dbraw/zinc/16/11/95/205161195.db2.gz	JZORRAXRXNZVHB-UHFFFAOYSA-N	-1	1	326.305	2.543	40	5		EFBBMM
O=[N+]([O-])c1ccc([C@H](NCc2ccc(F)cc2)[P@@](=O)([O-])O)cc1	ZINC000012949485	207266404	/nfs/dbraw/zinc/26/64/04/207266404.db2.gz	JJVRQNFWIUPJSX-CQSZACIVSA-N	-1	1	340.247	2.700	40	5		EFBBMM
COc1ccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000034581150	471990110	/nfs/dbraw/zinc/99/01/10/471990110.db2.gz	XMRWHKXOGDGNHJ-UHFFFAOYSA-N	-1	1	326.305	2.543	40	5		EFBBMM
CC[C@@H](C)Oc1ccccc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000034846730	471991897	/nfs/dbraw/zinc/99/18/97/471991897.db2.gz	IMOQZZIUAUOAAY-HSTULFTRSA-N	-1	1	331.328	2.731	40	5		EFBBMM
O=[N+]([O-])c1ccc(Sc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000216905131	241219435	/nfs/dbraw/zinc/21/94/35/241219435.db2.gz	VFWXSCGJWUODBS-UHFFFAOYSA-N	-1	1	335.223	2.791	40	5		EFBBMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1	ZINC000007051645	275037363	/nfs/dbraw/zinc/03/73/63/275037363.db2.gz	BQCAIUVPCQATCQ-UHFFFAOYSA-N	-1	1	347.396	2.996	40	5		EFBBMM
CCCc1[nH]nc(C(=O)[N-]c2cc(F)c(F)cc2F)c1[N+](=O)[O-]	ZINC000096414417	473394719	/nfs/dbraw/zinc/39/47/19/473394719.db2.gz	RBNLNTVDQPBFJJ-UHFFFAOYSA-N	-1	1	328.250	2.940	40	5		EFBBMM
COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1F	ZINC000179390637	473683420	/nfs/dbraw/zinc/68/34/20/473683420.db2.gz	BRGLDOKDSYKAFV-UHFFFAOYSA-N	-1	1	340.332	2.852	40	5		EFBBMM
CCOc1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000216458985	241193920	/nfs/dbraw/zinc/19/39/20/241193920.db2.gz	XRSFPJAMCOSICU-UHFFFAOYSA-N	-1	1	336.369	2.935	40	5		EFBBMM
O=Cc1ccc(Sc2nc(-c3ccccn3)n[nH]2)c([N+](=O)[O-])c1	ZINC000408584066	476968665	/nfs/dbraw/zinc/96/86/65/476968665.db2.gz	ZVKCMYDIFAYBPD-UHFFFAOYSA-N	-1	1	327.325	2.739	40	5		EFBBMM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000003893874	210084802	/nfs/dbraw/zinc/08/48/02/210084802.db2.gz	MCWVDDPSTPNIHV-UHFFFAOYSA-N	-1	1	334.353	2.907	40	5		EFBBMM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=S)[N-]C2=O)o1	ZINC000015219875	471892925	/nfs/dbraw/zinc/89/29/25/471892925.db2.gz	ZAIFRNSFKYGRFI-GHXNOFRVSA-N	-1	1	329.337	2.508	40	5		EFBBMM
O=c1ccc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2o1	ZINC000194025054	473828216	/nfs/dbraw/zinc/82/82/16/473828216.db2.gz	WPYIYPCSUYLMDD-UHFFFAOYSA-N	-1	1	346.320	2.502	40	5		EFBBMM
Cc1cccc(C)c1NC(=O)C([O-])=CC(=O)c1cccc([N+](=O)[O-])c1	ZINC000102953096	204055671	/nfs/dbraw/zinc/05/56/71/204055671.db2.gz	PVBYZAKVTVJSOI-UHFFFAOYSA-N	-1	1	340.335	2.992	40	5		EFBBMM
Cc1cccc(NC(=O)C(O)=CC(=O)c2ccc([N+](=O)[O-])cc2)c1C	ZINC000104273460	204103921	/nfs/dbraw/zinc/10/39/21/204103921.db2.gz	GRGXDFQUAZCWKG-UHFFFAOYSA-N	-1	1	340.335	2.992	40	5		EFBBMM
Cc1cccc(NC(=O)C([O-])=CC(=O)c2ccc([N+](=O)[O-])cc2)c1C	ZINC000104273460	204103924	/nfs/dbraw/zinc/10/39/24/204103924.db2.gz	GRGXDFQUAZCWKG-UHFFFAOYSA-N	-1	1	340.335	2.992	40	5		EFBBMM
CC(=O)Nc1nc(C)c(CC/C=C\c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1	ZINC000004771727	471474177	/nfs/dbraw/zinc/47/41/77/471474177.db2.gz	VNHVKOPWBCUPOO-HYXAFXHYSA-N	-1	1	342.355	2.591	40	5		EFBBMM
NN=c1nc[n-]c(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]	ZINC000005002732	471482976	/nfs/dbraw/zinc/48/29/76/471482976.db2.gz	FVCMHXUORYOABI-UHFFFAOYSA-N	-1	1	337.343	2.836	40	5		EFBBMM
COC(=O)c1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2c1	ZINC000006441065	471545818	/nfs/dbraw/zinc/54/58/18/471545818.db2.gz	JVIINFBQPJGAAW-UHFFFAOYSA-N	-1	1	347.308	2.836	40	5		EFBBMM
Cc1cc2nc(C=C([O-])c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2cc1C	ZINC000016941824	471951787	/nfs/dbraw/zinc/95/17/87/471951787.db2.gz	OLHDCHSSJIOLEC-UHFFFAOYSA-N	-1	1	337.335	2.874	40	5		EFBBMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2F)CC1	ZINC000194016262	473827699	/nfs/dbraw/zinc/82/76/99/473827699.db2.gz	PCPOOMSYUMSERH-UHFFFAOYSA-N	-1	1	343.314	2.764	40	5		EFBBMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000194020851	473828641	/nfs/dbraw/zinc/82/86/41/473828641.db2.gz	MYCSJOZSFOKDQO-VIFPVBQESA-N	-1	1	349.293	2.603	40	5		EFBBMM
CC(=O)Nc1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)oc2c1	ZINC000000557385	471370812	/nfs/dbraw/zinc/37/08/12/471370812.db2.gz	VWCYSJOTHMNOFL-UHFFFAOYSA-N	-1	1	330.256	2.540	40	5		EFBBMM
COc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1F	ZINC000007360539	471608177	/nfs/dbraw/zinc/60/81/77/471608177.db2.gz	WQUBNHVVDLOZFW-UHFFFAOYSA-N	-1	1	326.305	2.543	40	5		EFBBMM
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1[O-]	ZINC000009062440	471709402	/nfs/dbraw/zinc/70/94/02/471709402.db2.gz	YZUSVABCXDGBPB-UHFFFAOYSA-N	-1	1	326.268	2.603	40	5		EFBBMM
O=[N+]([O-])c1cccc([C@@H](NCc2cccs2)[P@@](=O)([O-])O)c1	ZINC000012949551	471808044	/nfs/dbraw/zinc/80/80/44/471808044.db2.gz	OVXMVPVXNXFLAY-LBPRGKRZSA-N	-1	1	328.286	2.622	40	5		EFBBMM
COc1ccc(-c2nonc2[N-]C(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000016788552	471949917	/nfs/dbraw/zinc/94/99/17/471949917.db2.gz	SZWIJBCXEISZLO-UHFFFAOYSA-N	-1	1	340.295	2.906	40	5		EFBBMM
CC[C@H](C)Oc1ccccc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000034846732	471991448	/nfs/dbraw/zinc/99/14/48/471991448.db2.gz	IMOQZZIUAUOAAY-QROTZFDESA-N	-1	1	331.328	2.731	40	5		EFBBMM
CC[C@@H](Sc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1)C(=O)[O-]	ZINC000224976421	474200952	/nfs/dbraw/zinc/20/09/52/474200952.db2.gz	QXBSBFUBEPAECI-SECBINFHSA-N	-1	1	342.764	2.989	40	5		EFBBMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000007405666	471611689	/nfs/dbraw/zinc/61/16/89/471611689.db2.gz	ASWODYROEATDIK-UHFFFAOYSA-N	-1	1	338.316	2.737	40	5		EFBBMM
O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccccc2)CC1	ZINC000039285733	472023093	/nfs/dbraw/zinc/02/30/93/472023093.db2.gz	YIZMQPQLDIMYOY-UHFFFAOYSA-N	-1	1	341.367	2.615	40	5		EFBBMM
Cc1cc(S(=O)(=O)[N-]c2ncccc2Cl)ccc1[N+](=O)[O-]	ZINC000179868661	525423430	/nfs/dbraw/zinc/42/34/30/525423430.db2.gz	HOAXYCOUAIYXTA-UHFFFAOYSA-N	-1	1	327.749	2.752	40	5		EFBBMM
Cc1ccccc1NC(=O)C([O-])=CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000102966522	219244056	/nfs/dbraw/zinc/24/40/56/219244056.db2.gz	KQAKXXRHIRZAAT-UHFFFAOYSA-N	-1	1	326.308	2.684	40	5		EFBBMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000226862926	242116711	/nfs/dbraw/zinc/11/67/11/242116711.db2.gz	KQQWYJQISRRDMP-UHFFFAOYSA-N	-1	1	340.332	2.933	40	5		EFBBMM
COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c2ccccc12	ZINC000009010315	211031382	/nfs/dbraw/zinc/03/13/82/211031382.db2.gz	QATPWDMICJRAQT-CLFYSBASSA-N	-1	1	339.307	2.716	40	5		EFBBMM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2NC(=S)[N-]C2=O)o1	ZINC000000338420	471349159	/nfs/dbraw/zinc/34/91/59/471349159.db2.gz	GDHMTIBCNUZSPI-KPKJPENVSA-N	-1	1	329.337	2.920	40	5		EFBBMM
CCCc1cc(=O)[n-]c(SCC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	ZINC000008134998	471665514	/nfs/dbraw/zinc/66/55/14/471665514.db2.gz	IZXOCHCVKWQXLW-UHFFFAOYSA-N	-1	1	347.396	2.914	40	5		EFBBMM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1F	ZINC000038594609	472019591	/nfs/dbraw/zinc/01/95/91/472019591.db2.gz	CZWXTGNZZAIQSE-UHFFFAOYSA-N	-1	1	340.332	2.852	40	5		EFBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1F	ZINC000032585535	472444074	/nfs/dbraw/zinc/44/40/74/472444074.db2.gz	AAEVYQRGUSPBAU-UHFFFAOYSA-N	-1	1	326.305	2.543	40	5		EFBBMM
C[C@H](Sc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1)C(=O)[O-]	ZINC000224974562	474201600	/nfs/dbraw/zinc/20/16/00/474201600.db2.gz	BHGIKLLSQPLDQB-YFKPBYRVSA-N	-1	1	328.737	2.599	40	5		EFBBMM
Cc1c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cccc1[N+](=O)[O-]	ZINC000019936435	202028073	/nfs/dbraw/zinc/02/80/73/202028073.db2.gz	HGVWYTCDVPRPJB-UHFFFAOYSA-N	-1	1	349.324	2.551	40	5		EFBBMM
O=C1[N-]C(=S)NC1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	ZINC000027519495	202155996	/nfs/dbraw/zinc/15/59/96/202155996.db2.gz	URTRHGOPPVBPKF-GHXNOFRVSA-N	-1	1	342.336	2.539	40	5		EFBBMM
CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(=O)c2sccc2[n-]1	ZINC000253630208	244041954	/nfs/dbraw/zinc/04/19/54/244041954.db2.gz	QPKAQGDNEXMKNX-UHFFFAOYSA-N	-1	1	344.396	2.980	40	5		EFBBMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000007363482	471608410	/nfs/dbraw/zinc/60/84/10/471608410.db2.gz	MYVBUIQNWUQCQY-UHFFFAOYSA-N	-1	1	349.368	2.662	40	5		EFBBMM
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2N1	ZINC000078404016	472711752	/nfs/dbraw/zinc/71/17/52/472711752.db2.gz	CWCGOGIDZWKIEK-SNVBAGLBSA-N	-1	1	333.369	2.752	40	5		EFBBMM
CCOC(=O)c1ccc(Sc2n[n-]c(C(F)F)n2)c([N+](=O)[O-])c1	ZINC000216904379	535699835	/nfs/dbraw/zinc/69/98/35/535699835.db2.gz	SLJQLOWZOIKVIG-UHFFFAOYSA-N	-1	1	344.299	2.978	40	5		EFBBMM
Cc1ccc([C@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1	ZINC000193620271	240234515	/nfs/dbraw/zinc/23/45/15/240234515.db2.gz	VGRLEYWIICJZQU-GFCCVEGCSA-N	-1	1	331.328	2.964	40	5		EFBBMM
COc1ccc(C)cc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000216312746	241183834	/nfs/dbraw/zinc/18/38/34/241183834.db2.gz	HCLUWJBMAZHCNR-UHFFFAOYSA-N	-1	1	336.369	2.854	40	5		EFBBMM
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2N1	ZINC000078404018	217048926	/nfs/dbraw/zinc/04/89/26/217048926.db2.gz	CWCGOGIDZWKIEK-JTQLQIEISA-N	-1	1	333.369	2.752	40	5		EFBBMM
COc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1F	ZINC000007360713	471607906	/nfs/dbraw/zinc/60/79/06/471607906.db2.gz	SPJUYOICDSFKBA-UHFFFAOYSA-N	-1	1	340.332	2.852	40	5		EFBBMM
CCc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1OC	ZINC000223681875	474187891	/nfs/dbraw/zinc/18/78/91/474187891.db2.gz	IUZSHAUMASFRIW-UHFFFAOYSA-N	-1	1	336.369	2.967	40	5		EFBBMM
COC(=O)c1ccc(Sc2n[n-]c(C(F)F)n2)c([N+](=O)[O-])c1	ZINC000216904221	536804243	/nfs/dbraw/zinc/80/42/43/536804243.db2.gz	ZTMMBFHOJNGYQE-UHFFFAOYSA-N	-1	1	330.272	2.588	40	5		EFBBMM
O=C([N-]c1nc2ccc([N+](=O)[O-])cc2s1)c1ccc([N+](=O)[O-])o1	ZINC000002162700	284425879	/nfs/dbraw/zinc/42/58/79/284425879.db2.gz	IBZOPZQXXANLPU-UHFFFAOYSA-N	-1	1	334.269	2.958	40	5		EFBBMM
Cc1cc(-c2ccc(/C=C3/NC(=S)[N-]C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000006188669	471535359	/nfs/dbraw/zinc/53/53/59/471535359.db2.gz	HGKJDHVXARSEDV-KPKJPENVSA-N	-1	1	343.364	2.817	40	5		EFBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1	ZINC000016129655	471926289	/nfs/dbraw/zinc/92/62/89/471926289.db2.gz	IPQMMMODRRBSTE-UHFFFAOYSA-N	-1	1	328.296	2.982	40	5		EFBBMM
O=C([O-])CCCSc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1	ZINC000224977878	474201558	/nfs/dbraw/zinc/20/15/58/474201558.db2.gz	MYPIHRLQMCESPA-UHFFFAOYSA-N	-1	1	342.764	2.990	40	5		EFBBMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C	ZINC000408608115	476969737	/nfs/dbraw/zinc/96/97/37/476969737.db2.gz	OOAPBNUCFDOBIP-UHFFFAOYSA-N	-1	1	349.368	2.662	40	5		EFBBMM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)cc1F	ZINC000055558056	214329877	/nfs/dbraw/zinc/32/98/77/214329877.db2.gz	XTEFAJBKIWCEJM-UHFFFAOYSA-N	-1	1	340.332	2.852	40	5		EFBBMM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1F	ZINC000055548913	214330017	/nfs/dbraw/zinc/33/00/17/214330017.db2.gz	DUCZLXVGHHAWQH-UHFFFAOYSA-N	-1	1	326.305	2.543	40	5		EFBBMM
Cc1ccc([C@@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1	ZINC000193620259	240236560	/nfs/dbraw/zinc/23/65/60/240236560.db2.gz	VGRLEYWIICJZQU-LBPRGKRZSA-N	-1	1	331.328	2.964	40	5		EFBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937269	212087591	/nfs/dbraw/zinc/08/75/91/212087591.db2.gz	WNRMRMBOPJSMLL-UHFFFAOYSA-N	-1	1	336.307	2.597	40	5		EFBBMM
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[n-]c(C(F)(F)F)n1	ZINC000078406596	217048489	/nfs/dbraw/zinc/04/84/89/217048489.db2.gz	AEDAANLWLDINOO-UHFFFAOYSA-N	-1	1	348.262	2.670	40	5		EFBBMM
Cc1cc(C)nc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1	ZINC000095464235	463089078	/nfs/dbraw/zinc/08/90/78/463089078.db2.gz	UCDNGKLUGZMXAG-UHFFFAOYSA-N	-1	1	335.385	2.591	40	5		EFBBMM
O=[N+]([O-])c1ccc(CNn2c(-c3ccncc3)n[n-]c2=S)cc1	ZINC000007601984	471623718	/nfs/dbraw/zinc/62/37/18/471623718.db2.gz	XFBMVQFSQFQAGU-UHFFFAOYSA-N	-1	1	328.357	2.655	40	5		EFBBMM