smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1csc(-c2nonc2[N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000009514216	204371980	/nfs/dbraw/zinc/37/19/80/204371980.db2.gz	VYQIFTAQVHMEJQ-UHFFFAOYSA-N	-1	1	365.758	3.315	50	5		FGBAMM
CCCOc1ccc2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000009234910	204358999	/nfs/dbraw/zinc/35/89/99/204358999.db2.gz	OITHJYAUWKMIBQ-CSKARUKUSA-N	-1	1	367.361	3.496	50	5		FGBAMM
Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cccc1[N+](=O)[O-]	ZINC000012526247	206291617	/nfs/dbraw/zinc/29/16/17/206291617.db2.gz	VGZNEIFGGVEKGA-UHFFFAOYSA-N	-1	1	370.770	3.056	50	5		FGBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Br)c1	ZINC000014397393	206310414	/nfs/dbraw/zinc/31/04/14/206310414.db2.gz	BTEMNXVOVVWNHS-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
COc1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC	ZINC000001149314	493787092	/nfs/dbraw/zinc/78/70/92/493787092.db2.gz	MAOFJPRJDOTDDE-UHFFFAOYSA-N	-1	1	366.399	3.013	50	5		FGBAMM
CC(C)Oc1ccc2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000017113201	494408546	/nfs/dbraw/zinc/40/85/46/494408546.db2.gz	KLGSMNZABWJPPJ-CSKARUKUSA-N	-1	1	367.361	3.495	50	5		FGBAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1[N+](=O)[O-]	ZINC000005126376	204193360	/nfs/dbraw/zinc/19/33/60/204193360.db2.gz	ORZFIWJIBAGRIK-UHFFFAOYSA-N	-1	1	354.409	3.126	50	5		FGBAMM
O=C([N-]c1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002187538	204028686	/nfs/dbraw/zinc/02/86/86/204028686.db2.gz	PXHFJHLPEGMNBA-UHFFFAOYSA-N	-1	1	371.334	3.274	50	5		FGBAMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1	ZINC000007055964	204288072	/nfs/dbraw/zinc/28/80/72/204288072.db2.gz	CZTHPPKKLFDLOP-UHFFFAOYSA-N	-1	1	362.285	3.294	50	5		FGBAMM
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1	ZINC000045059939	205116846	/nfs/dbraw/zinc/11/68/46/205116846.db2.gz	LXKOLUBDUZUEGG-UHFFFAOYSA-N	-1	1	360.391	3.097	50	5		FGBAMM
CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)s1	ZINC000015301358	494347208	/nfs/dbraw/zinc/34/72/08/494347208.db2.gz	UATOSCXGCOBQFG-UHFFFAOYSA-N	-1	1	369.384	3.027	50	5		FGBAMM
CSCC[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-]	ZINC000170612801	206274010	/nfs/dbraw/zinc/27/40/10/206274010.db2.gz	XWHHAICMKBDRGJ-CQSZACIVSA-N	-1	1	350.396	3.151	50	5		FGBAMM
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1[O-]	ZINC000009890523	204384589	/nfs/dbraw/zinc/38/45/89/204384589.db2.gz	FKQNHJIGCBZQFC-UHFFFAOYSA-N	-1	1	351.362	3.296	50	5		FGBAMM
CCOc1ccc2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000017112417	207611020	/nfs/dbraw/zinc/61/10/20/207611020.db2.gz	RFSDUUHLXYIOBJ-CSKARUKUSA-N	-1	1	353.334	3.106	50	5		FGBAMM
O=[N+]([O-])c1c(NCCn2c(=S)[n-]nc2C2CC2)ccc2ncccc21	ZINC000072307742	494150124	/nfs/dbraw/zinc/15/01/24/494150124.db2.gz	JPWDBBQJGCLCDY-UHFFFAOYSA-N	-1	1	356.411	3.387	50	5		FGBAMM
O=c1[nH]c(C=Cc2cccc(Oc3ccccc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000016362160	207583805	/nfs/dbraw/zinc/58/38/05/207583805.db2.gz	RPCDQFZZCZFJQB-KTKRTIGZSA-N	-1	1	351.318	3.346	50	5		FGBAMM
Cn1cnc([N+](=O)[O-])c1-c1nnc([N-]c2cccc(C(F)(F)F)c2)o1	ZINC000004629529	207034114	/nfs/dbraw/zinc/03/41/14/207034114.db2.gz	JFZOVGHRZCSUBB-UHFFFAOYSA-N	-1	1	354.248	3.141	50	5		FGBAMM
CC(=O)c1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)cc1	ZINC000009234814	207262742	/nfs/dbraw/zinc/26/27/42/207262742.db2.gz	MKLNNGDKCVQPCC-VQHVLOKHSA-N	-1	1	367.317	3.017	50	5		FGBAMM
Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Br)c1	ZINC000001115281	219372743	/nfs/dbraw/zinc/37/27/43/219372743.db2.gz	IQMSGIHDXWCLAG-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
CCn1c(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n[n-]c1=S	ZINC000002573487	206922060	/nfs/dbraw/zinc/92/20/60/206922060.db2.gz	NBFCLZBKTFBMNE-UHFFFAOYSA-N	-1	1	358.427	3.397	50	5		FGBAMM
Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000005336166	207093793	/nfs/dbraw/zinc/09/37/93/207093793.db2.gz	WULFGJLRQLEQAN-UHFFFAOYSA-N	-1	1	362.194	3.285	50	5		FGBAMM
O=c1[nH]c(C=Cc2ccc(-c3ccc(Cl)cc3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009010350	207254720	/nfs/dbraw/zinc/25/47/20/207254720.db2.gz	PQVDDSFKRIBWRW-VURMDHGXSA-N	-1	1	359.725	3.468	50	5		FGBAMM
CCOc1cc(C(=O)[N-]c2nnc(C(C)C)s2)c([N+](=O)[O-])cc1OC	ZINC000025324101	494724285	/nfs/dbraw/zinc/72/42/85/494724285.db2.gz	WIJIHCYGJAHAIA-UHFFFAOYSA-N	-1	1	366.399	3.229	50	5		FGBAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005644392	207110167	/nfs/dbraw/zinc/11/01/67/207110167.db2.gz	UFYXIZRERQGYMA-MRXNPFEDSA-N	-1	1	368.345	3.058	50	5		FGBAMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000013546682	494289493	/nfs/dbraw/zinc/28/94/93/494289493.db2.gz	QVQATZLFVRHULO-NTUHNPAUSA-N	-1	1	373.346	3.115	50	5		FGBAMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1F	ZINC000005126853	207081745	/nfs/dbraw/zinc/08/17/45/207081745.db2.gz	IBSPDVPRGZMRLI-UHFFFAOYSA-N	-1	1	350.371	3.414	50	5		FGBAMM
Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]n2)cc1	ZINC000009912687	207289382	/nfs/dbraw/zinc/28/93/82/207289382.db2.gz	SDVKXAPCXXKCHF-UHFFFAOYSA-N	-1	1	372.406	3.403	50	5		FGBAMM
Cc1cccc(NC(=O)c2[n-]cnc2C(=O)Nc2ccccc2[N+](=O)[O-])c1	ZINC000008683311	207240078	/nfs/dbraw/zinc/24/00/78/207240078.db2.gz	UJLWFZLSSCSBHX-UHFFFAOYSA-N	-1	1	365.349	3.131	50	5		FGBAMM
NC(=O)c1oc2ccccc2c1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000004135081	493865885	/nfs/dbraw/zinc/86/58/85/493865885.db2.gz	XRESBWQEYHLNNY-UHFFFAOYSA-N	-1	1	359.725	3.346	50	5		FGBAMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000000649750	493767966	/nfs/dbraw/zinc/76/79/66/493767966.db2.gz	JNVIJLAMMAHXEW-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
COc1ccc(OC)c([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000104229321	210107605	/nfs/dbraw/zinc/10/76/05/210107605.db2.gz	MXIKOOWWETVPGL-UHFFFAOYSA-N	-1	1	364.270	3.172	50	5		FGBAMM
O=C([N-]c1nnc([C@@H]2CCCO2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000010970730	494167126	/nfs/dbraw/zinc/16/71/26/494167126.db2.gz	GYVMOPLIJRFFBO-JTQLQIEISA-N	-1	1	360.351	3.296	50	5		FGBAMM
Cc1ccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104229314	210108263	/nfs/dbraw/zinc/10/82/63/210108263.db2.gz	KIUIOJRVLVZLQH-UHFFFAOYSA-N	-1	1	363.242	3.371	50	5		FGBAMM
CSCC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-]	ZINC000170612800	495534637	/nfs/dbraw/zinc/53/46/37/495534637.db2.gz	XWHHAICMKBDRGJ-AWEZNQCLSA-N	-1	1	350.396	3.151	50	5		FGBAMM
Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1	ZINC000225550144	497066608	/nfs/dbraw/zinc/06/66/08/497066608.db2.gz	TWRKZHBXINXQEH-UHFFFAOYSA-N	-1	1	358.778	3.174	50	5		FGBAMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1	ZINC000003900340	493858903	/nfs/dbraw/zinc/85/89/03/493858903.db2.gz	IRMOAJDGJGZLAJ-UHFFFAOYSA-N	-1	1	357.185	3.158	50	5		FGBAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000003876557	493859158	/nfs/dbraw/zinc/85/91/58/493859158.db2.gz	ZJSQCTAOOYZYLC-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)c1O	ZINC000047383666	494693804	/nfs/dbraw/zinc/69/38/04/494693804.db2.gz	GDBGQPIUJBGCPO-UHFFFAOYSA-N	-1	1	350.396	3.335	50	5		FGBAMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1	ZINC000014225119	211086181	/nfs/dbraw/zinc/08/61/81/211086181.db2.gz	XUZMOPKKEKGLDI-UHFFFAOYSA-N	-1	1	362.285	3.294	50	5		FGBAMM
CCc1cc2c(COc3ccc(C)nc3[N+](=O)[O-])cc(=O)oc2cc1[O-]	ZINC000007229462	494008432	/nfs/dbraw/zinc/00/84/32/494008432.db2.gz	PHEOJZNXTHDOIJ-UHFFFAOYSA-N	-1	1	356.334	3.252	50	5		FGBAMM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl	ZINC000055555304	221071546	/nfs/dbraw/zinc/07/15/46/221071546.db2.gz	KOMXMMADEMDOHK-UHFFFAOYSA-N	-1	1	360.750	3.197	50	5		FGBAMM
Cc1c([N-]S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000001217614	219390812	/nfs/dbraw/zinc/39/08/12/219390812.db2.gz	KMIGVJIXBQFVRY-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1Br	ZINC000001227970	219391362	/nfs/dbraw/zinc/39/13/62/219391362.db2.gz	JRWHFNLDKLFELW-UHFFFAOYSA-N	-1	1	357.185	3.158	50	5		FGBAMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000003196983	493832412	/nfs/dbraw/zinc/83/24/12/493832412.db2.gz	VVPCMNDXFIALCE-UHFFFAOYSA-N	-1	1	357.185	3.158	50	5		FGBAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000006619960	493971376	/nfs/dbraw/zinc/97/13/76/493971376.db2.gz	XHSQSRFBOWUZGV-UHFFFAOYSA-N	-1	1	350.396	3.275	50	5		FGBAMM
Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000095426903	494974657	/nfs/dbraw/zinc/97/46/57/494974657.db2.gz	QCNMNNYJJKQDIF-UHFFFAOYSA-N	-1	1	354.318	3.130	50	5		FGBAMM
O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)S1	ZINC000000974925	219349325	/nfs/dbraw/zinc/34/93/25/219349325.db2.gz	IHWOKOKVANPIHW-OQLLNIDSSA-N	-1	1	356.359	3.498	50	5		FGBAMM
COc1ccc([N-]C(=O)c2c(F)c(F)c(OC)c(F)c2F)c([N+](=O)[O-])c1	ZINC000012855626	220036295	/nfs/dbraw/zinc/03/62/95/220036295.db2.gz	OPWIIIATYIJVNV-UHFFFAOYSA-N	-1	1	374.246	3.421	50	5		FGBAMM
COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1	ZINC000095447965	494975606	/nfs/dbraw/zinc/97/56/06/494975606.db2.gz	RZCOSHMUJMIJQT-UHFFFAOYSA-N	-1	1	360.750	3.197	50	5		FGBAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000004040369	204118813	/nfs/dbraw/zinc/11/88/13/204118813.db2.gz	DOZVBQNZKWADGV-UHFFFAOYSA-N	-1	1	369.786	3.007	50	5		FGBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1[N+](=O)[O-]	ZINC000014869160	494327710	/nfs/dbraw/zinc/32/77/10/494327710.db2.gz	NUZCMPDDTMOBNX-UHFFFAOYSA-N	-1	1	372.305	3.026	50	5		FGBAMM
O=c1[n-]nc(SCc2c(Cl)cccc2[N+](=O)[O-])n1-c1ccccc1	ZINC000005077590	204190813	/nfs/dbraw/zinc/19/08/13/204190813.db2.gz	QPMXBWRUUNNYCI-UHFFFAOYSA-N	-1	1	362.798	3.415	50	5		FGBAMM
CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1	ZINC000170600418	206270879	/nfs/dbraw/zinc/27/08/79/206270879.db2.gz	QTAUITFDXGNFNU-INIZCTEOSA-N	-1	1	355.394	3.105	50	5		FGBAMM
O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000004553357	204145743	/nfs/dbraw/zinc/14/57/43/204145743.db2.gz	AJGGVOGQTHEYMG-UHFFFAOYSA-N	-1	1	352.681	3.371	50	5		FGBAMM
Cc1cc(C)[nH]c(=N[N-]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000004904123	204174144	/nfs/dbraw/zinc/17/41/44/204174144.db2.gz	FSPPAKNOPMYZGC-UHFFFAOYSA-N	-1	1	372.263	3.368	50	5		FGBAMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000005121398	206239115	/nfs/dbraw/zinc/23/91/15/206239115.db2.gz	SVNHBQUZIMFXLH-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
COC(=O)c1ccc2cc(-c3nc4cc([N+](=O)[O-])ccc4[n-]3)c(=O)oc2c1	ZINC000020615316	494477909	/nfs/dbraw/zinc/47/79/09/494477909.db2.gz	VULXGLQBTCECPQ-UHFFFAOYSA-N	-1	1	365.301	3.031	50	5		FGBAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000005392651	206239255	/nfs/dbraw/zinc/23/92/55/206239255.db2.gz	BVYJPCHIXNIFPG-UHFFFAOYSA-N	-1	1	356.787	3.448	50	5		FGBAMM
Cc1ccc(Sc2ccc(/C=C3\NC(=S)[N-]C3=O)cc2[N+](=O)[O-])cc1	ZINC000003339360	493839333	/nfs/dbraw/zinc/83/93/33/493839333.db2.gz	IOJUIRMNGFBAGG-JYRVWZFOSA-N	-1	1	371.443	3.400	50	5		FGBAMM
CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1	ZINC000170600417	495532583	/nfs/dbraw/zinc/53/25/83/495532583.db2.gz	QTAUITFDXGNFNU-MRXNPFEDSA-N	-1	1	355.394	3.105	50	5		FGBAMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1	ZINC000007053264	207185926	/nfs/dbraw/zinc/18/59/26/207185926.db2.gz	RQZKQYHAMBOKTF-UHFFFAOYSA-N	-1	1	362.285	3.294	50	5		FGBAMM
COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1	ZINC000058172222	493830339	/nfs/dbraw/zinc/83/03/39/493830339.db2.gz	OXXHLUGZYIRVRU-UHFFFAOYSA-N	-1	1	372.786	3.066	50	5		FGBAMM
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000004980332	493905962	/nfs/dbraw/zinc/90/59/62/493905962.db2.gz	GEAFKSCZJNNWCY-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000100065829	209208691	/nfs/dbraw/zinc/20/86/91/209208691.db2.gz	WPWDIFPKDYRYOO-MRXNPFEDSA-N	-1	1	368.345	3.058	50	5		FGBAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000100065830	209208855	/nfs/dbraw/zinc/20/88/55/209208855.db2.gz	WPWDIFPKDYRYOO-INIZCTEOSA-N	-1	1	368.345	3.058	50	5		FGBAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCCCC1	ZINC000005030553	493908638	/nfs/dbraw/zinc/90/86/38/493908638.db2.gz	MRWIUWQBTINHTH-UHFFFAOYSA-N	-1	1	361.423	3.386	50	5		FGBAMM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2	ZINC000089591082	132199938	/nfs/dbraw/zinc/19/99/38/132199938.db2.gz	FCUMONCMCZLVHC-UHFFFAOYSA-N	-1	1	361.423	3.086	50	5		FGBAMM
Cc1c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cccc1[N+](=O)[O-]	ZINC000014227377	494311556	/nfs/dbraw/zinc/31/15/56/494311556.db2.gz	VZBZSGBSWKCQKI-UHFFFAOYSA-N	-1	1	368.389	3.344	50	5		FGBAMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1Cl	ZINC000002874482	493822788	/nfs/dbraw/zinc/82/27/88/493822788.db2.gz	WYQCCLOBXXMRFL-UHFFFAOYSA-N	-1	1	356.787	3.366	50	5		FGBAMM
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000004016405	493861213	/nfs/dbraw/zinc/86/12/13/493861213.db2.gz	YGVHIDRFIUMDBK-UHFFFAOYSA-N	-1	1	352.262	3.153	50	5		FGBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000004844716	493895730	/nfs/dbraw/zinc/89/57/30/493895730.db2.gz	VRXYUDZATKEOIT-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1	ZINC000017076014	494407521	/nfs/dbraw/zinc/40/75/21/494407521.db2.gz	MQZDTZFRJWNSHX-YCRREMRBSA-N	-1	1	370.799	3.415	50	5		FGBAMM
O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000001154648	219382187	/nfs/dbraw/zinc/38/21/87/219382187.db2.gz	FHAATMAOQIQZNI-UHFFFAOYSA-N	-1	1	352.681	3.371	50	5		FGBAMM
CCC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000002110510	493801148	/nfs/dbraw/zinc/80/11/48/493801148.db2.gz	KCAMDUBTAFTYIQ-UHFFFAOYSA-N	-1	1	365.371	3.294	50	5		FGBAMM
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1	ZINC000079015931	494392993	/nfs/dbraw/zinc/39/29/93/494392993.db2.gz	ZIDZEKFCJXMFFI-UHFFFAOYSA-N	-1	1	372.406	3.403	50	5		FGBAMM
CCCCc1nnc([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1	ZINC000004740498	493891374	/nfs/dbraw/zinc/89/13/74/493891374.db2.gz	ZFOGKHOOZHIZCY-UHFFFAOYSA-N	-1	1	366.399	3.058	50	5		FGBAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005644385	493938418	/nfs/dbraw/zinc/93/84/18/493938418.db2.gz	UFYXIZRERQGYMA-INIZCTEOSA-N	-1	1	368.345	3.058	50	5		FGBAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000000655958	210257383	/nfs/dbraw/zinc/25/73/83/210257383.db2.gz	AIWVAXLNNGBYAO-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000005257035	493922189	/nfs/dbraw/zinc/92/21/89/493922189.db2.gz	CXRVMLNAXRUBOP-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000005644394	493937971	/nfs/dbraw/zinc/93/79/71/493937971.db2.gz	URCFCOGTSXUYDX-MRXNPFEDSA-N	-1	1	368.345	3.058	50	5		FGBAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1	ZINC000005176292	263339560	/nfs/dbraw/zinc/33/95/60/263339560.db2.gz	MWWQISZRSGPGRR-UHFFFAOYSA-N	-1	1	367.386	3.320	50	5		FGBAMM
O=c1[nH]c(C=Cc2ccccc2OCc2ccccc2)nc([O-])c1[N+](=O)[O-]	ZINC000009295551	494119228	/nfs/dbraw/zinc/11/92/28/494119228.db2.gz	MWTXKGXHLAWVEU-ZHACJKMWSA-N	-1	1	365.345	3.133	50	5		FGBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000023818508	210237222	/nfs/dbraw/zinc/23/72/22/210237222.db2.gz	PVSSQCYWJDXMEJ-UHFFFAOYSA-N	-1	1	370.770	3.056	50	5		FGBAMM
O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000018166887	211194149	/nfs/dbraw/zinc/19/41/49/211194149.db2.gz	OWNDJGJSJJPPAB-UHFFFAOYSA-N	-1	1	352.681	3.371	50	5		FGBAMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1	ZINC000048332702	221008810	/nfs/dbraw/zinc/00/88/10/221008810.db2.gz	IFRPMOGAPKXDOP-UHFFFAOYSA-N	-1	1	358.322	3.305	50	5		FGBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-]	ZINC000024614008	494646041	/nfs/dbraw/zinc/64/60/41/494646041.db2.gz	VVZMOYNJRJCVCZ-UHFFFAOYSA-N	-1	1	350.396	3.491	50	5		FGBAMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1	ZINC000004889027	493898644	/nfs/dbraw/zinc/89/86/44/493898644.db2.gz	QDJGGXIGDCDRMN-UHFFFAOYSA-N	-1	1	369.402	3.381	50	5		FGBAMM
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl	ZINC000005126982	493914906	/nfs/dbraw/zinc/91/49/06/493914906.db2.gz	UDNUWZZMWJOYPO-UHFFFAOYSA-N	-1	1	372.786	3.066	50	5		FGBAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000005644387	493938168	/nfs/dbraw/zinc/93/81/68/493938168.db2.gz	URCFCOGTSXUYDX-INIZCTEOSA-N	-1	1	368.345	3.058	50	5		FGBAMM
CC(=O)c1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)cc1	ZINC000012380170	494228050	/nfs/dbraw/zinc/22/80/50/494228050.db2.gz	MKLNNGDKCVQPCC-CLFYSBASSA-N	-1	1	367.317	3.017	50	5		FGBAMM
Cc1onc(-c2ccccc2)c1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001025101	219353961	/nfs/dbraw/zinc/35/39/61/219353961.db2.gz	HDIDCWHRGUEFGV-UHFFFAOYSA-N	-1	1	373.390	3.037	50	5		FGBAMM
CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(C)C)s2)cc1OC	ZINC000025324125	494724009	/nfs/dbraw/zinc/72/40/09/494724009.db2.gz	QIBNXPLHUVBZEP-UHFFFAOYSA-N	-1	1	366.399	3.229	50	5		FGBAMM
CC(C)c1onc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-]	ZINC000004937490	493901645	/nfs/dbraw/zinc/90/16/45/493901645.db2.gz	OSTVBEXBPKLMRH-UHFFFAOYSA-N	-1	1	370.159	3.427	50	5		FGBAMM
O=C([N-]c1nnc([C@H]2CCCO2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000010970733	494167233	/nfs/dbraw/zinc/16/72/33/494167233.db2.gz	GYVMOPLIJRFFBO-SNVBAGLBSA-N	-1	1	360.351	3.296	50	5		FGBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-]	ZINC000006328591	493959128	/nfs/dbraw/zinc/95/91/28/493959128.db2.gz	UBTXBPBNXLMPNZ-UHFFFAOYSA-N	-1	1	374.321	3.006	50	5		FGBAMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000017747295	220217031	/nfs/dbraw/zinc/21/70/31/220217031.db2.gz	QVQATZLFVRHULO-QPEQYQDCSA-N	-1	1	373.346	3.115	50	5		FGBAMM
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004674056	493885472	/nfs/dbraw/zinc/88/54/72/493885472.db2.gz	XYIWOTXXXVHLEQ-UHFFFAOYSA-N	-1	1	371.212	3.467	50	5		FGBAMM
Cc1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-]	ZINC000012912049	220042044	/nfs/dbraw/zinc/04/20/44/220042044.db2.gz	XLQBGDIKHNRWTO-UHFFFAOYSA-N	-1	1	368.389	3.344	50	5		FGBAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000005126972	493914486	/nfs/dbraw/zinc/91/44/86/493914486.db2.gz	HOAFFUZMOGWNFP-UHFFFAOYSA-N	-1	1	356.787	3.448	50	5		FGBAMM