smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000195567518	464078631	/nfs/dbraw/zinc/07/86/31/464078631.db2.gz	LHVZTUSWTBSUFR-ZDUSSCGKSA-N	1	2	330.344	2.110	40	5		EEBBLO
Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1	ZINC000253426802	465011356	/nfs/dbraw/zinc/01/13/56/465011356.db2.gz	XRSBMKHOQIPJDL-AWEZNQCLSA-N	1	2	343.387	2.417	40	5		EEBBLO
[NH2+]=C1N=C2NC(=O)c3ccccc3N2[C@H](c2ccccc2[N+](=O)[O-])N1	ZINC000022241617	303360558	/nfs/dbraw/zinc/36/05/58/303360558.db2.gz	KDGUAVZWKIPLBY-CYBMUJFWSA-N	1	2	336.311	2.103	40	5		EEBBLO
CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000070980038	463400076	/nfs/dbraw/zinc/40/00/76/463400076.db2.gz	UMTLSLDDOVTEFM-OAHLLOKOSA-N	1	2	326.418	2.384	40	5		EEBBLO
CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000070980038	463400083	/nfs/dbraw/zinc/40/00/83/463400083.db2.gz	UMTLSLDDOVTEFM-OAHLLOKOSA-N	1	2	326.418	2.384	40	5		EEBBLO
C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245339444	464470676	/nfs/dbraw/zinc/47/06/76/464470676.db2.gz	SWJAAOSXVLFOHH-LSDHHAIUSA-N	1	2	326.418	2.382	40	5		EEBBLO
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245339444	464470683	/nfs/dbraw/zinc/47/06/83/464470683.db2.gz	SWJAAOSXVLFOHH-LSDHHAIUSA-N	1	2	326.418	2.382	40	5		EEBBLO
Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1	ZINC000097373284	463355228	/nfs/dbraw/zinc/35/52/28/463355228.db2.gz	IJHWWEBNIJQJSM-GFCCVEGCSA-N	1	2	344.371	2.129	40	5		EEBBLO
O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CC(F)F)CC1	ZINC000280945999	464277400	/nfs/dbraw/zinc/27/74/00/464277400.db2.gz	LWGQMCFAPBWZIL-UHFFFAOYSA-N	1	2	341.358	2.231	40	5		EEBBLO
CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000070980040	463399903	/nfs/dbraw/zinc/39/99/03/463399903.db2.gz	UMTLSLDDOVTEFM-HNNXBMFYSA-N	1	2	326.418	2.384	40	5		EEBBLO
CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000070980040	463399908	/nfs/dbraw/zinc/39/99/08/463399908.db2.gz	UMTLSLDDOVTEFM-HNNXBMFYSA-N	1	2	326.418	2.384	40	5		EEBBLO
[NH3+][C@@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1	ZINC000095533457	463106793	/nfs/dbraw/zinc/10/67/93/463106793.db2.gz	NALBAOGRXWKQFN-OAHLLOKOSA-N	1	2	325.328	2.340	40	5		EEBBLO
COc1ccc([C@@H]([NH3+])c2nc(Cc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	ZINC000095533725	463107620	/nfs/dbraw/zinc/10/76/20/463107620.db2.gz	VDTWBXVSDBAFEH-MRXNPFEDSA-N	1	2	339.355	2.360	40	5		EEBBLO
COc1ccc([C@@H]([NH3+])c2nnc(Cc3ccc([N+](=O)[O-])cc3)[nH]2)cc1	ZINC000095533725	463107625	/nfs/dbraw/zinc/10/76/25/463107625.db2.gz	VDTWBXVSDBAFEH-MRXNPFEDSA-N	1	2	339.355	2.360	40	5		EEBBLO
Cc1ncc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)s1	ZINC000241965670	243007304	/nfs/dbraw/zinc/00/73/04/243007304.db2.gz	UUXGVBMIESBRMF-UHFFFAOYSA-N	1	2	333.417	2.385	40	5		EEBBLO
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCCn1cc[nH+]c1	ZINC000408577358	466681485	/nfs/dbraw/zinc/68/14/85/466681485.db2.gz	ZYZAEWLAUVDPDL-UHFFFAOYSA-N	1	2	334.401	2.231	40	5		EEBBLO
C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245339443	243103546	/nfs/dbraw/zinc/10/35/46/243103546.db2.gz	SWJAAOSXVLFOHH-HUUCEWRRSA-N	1	2	326.418	2.382	40	5		EEBBLO
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245339443	243103554	/nfs/dbraw/zinc/10/35/54/243103554.db2.gz	SWJAAOSXVLFOHH-HUUCEWRRSA-N	1	2	326.418	2.382	40	5		EEBBLO
[NH2+]=C1N=C2NC(=O)c3ccccc3N2[C@@H](c2ccccc2[N+](=O)[O-])N1	ZINC000022241620	463047229	/nfs/dbraw/zinc/04/72/29/463047229.db2.gz	KDGUAVZWKIPLBY-ZDUSSCGKSA-N	1	2	336.311	2.103	40	5		EEBBLO
[NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)[nH]1	ZINC000095534923	463108361	/nfs/dbraw/zinc/10/83/61/463108361.db2.gz	VYUHXJFGNISEPK-GFCCVEGCSA-N	1	2	325.328	2.328	40	5		EEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000408564775	466681391	/nfs/dbraw/zinc/68/13/91/466681391.db2.gz	ACCSUFIDERUHAD-BEGGFCFFSA-N	1	2	341.342	2.394	40	5		EEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000408564775	466681396	/nfs/dbraw/zinc/68/13/96/466681396.db2.gz	ACCSUFIDERUHAD-BEGGFCFFSA-N	1	2	341.342	2.394	40	5		EEBBLO
[NH3+][C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1	ZINC000095533316	463106687	/nfs/dbraw/zinc/10/66/87/463106687.db2.gz	GARURNDAUFPKEL-OAHLLOKOSA-N	1	2	327.319	2.491	40	5		EEBBLO
[NH3+][C@@H](c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1)c1ccc(F)cc1	ZINC000095533316	463106691	/nfs/dbraw/zinc/10/66/91/463106691.db2.gz	GARURNDAUFPKEL-OAHLLOKOSA-N	1	2	327.319	2.491	40	5		EEBBLO
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCc2c[nH+]ccc21	ZINC000175316063	464525473	/nfs/dbraw/zinc/52/54/73/464525473.db2.gz	VQPBKIAFWVGZGK-UHFFFAOYSA-N	1	2	339.760	2.395	40	5		EEBBLO
CNc1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1	ZINC000253396532	465000042	/nfs/dbraw/zinc/00/00/42/465000042.db2.gz	CAXNJONUFVLZIO-UHFFFAOYSA-N	1	2	328.375	2.240	40	5		EEBBLO
Cc1ccc(NCCCNC(=O)[C@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000096417190	463249620	/nfs/dbraw/zinc/24/96/20/463249620.db2.gz	BFCDYIOCMVDFCV-ZDUSSCGKSA-N	1	2	331.376	2.279	40	5		EEBBLO
C[NH+]1CCN(c2c(Br)c(N)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000045891270	277112176	/nfs/dbraw/zinc/11/21/76/277112176.db2.gz	WHEFPRRNRHARHD-UHFFFAOYSA-N	1	2	349.616	2.345	40	5		EEBBLO
C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@@H+]1C1CC1	ZINC000225536166	464169829	/nfs/dbraw/zinc/16/98/29/464169829.db2.gz	AEVADVHLNVVUPE-MNOVXSKESA-N	1	2	339.417	2.035	40	5		EEBBLO
C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@H+]1C1CC1	ZINC000225536166	464169834	/nfs/dbraw/zinc/16/98/34/464169834.db2.gz	AEVADVHLNVVUPE-MNOVXSKESA-N	1	2	339.417	2.035	40	5		EEBBLO
CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc[nH+]c1N(C)C	ZINC000225555695	464170788	/nfs/dbraw/zinc/17/07/88/464170788.db2.gz	SIVWWKCQBHXJJR-UHFFFAOYSA-N	1	2	344.371	2.385	40	5		EEBBLO
Cc1nnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C	ZINC000174247372	231159895	/nfs/dbraw/zinc/15/98/95/231159895.db2.gz	JYGLSAAOZSYPCW-UHFFFAOYSA-N	1	2	331.376	2.075	40	5		EEBBLO
C[C@H]1C[NH+]=C(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)S1	ZINC000096449197	463271802	/nfs/dbraw/zinc/27/18/02/463271802.db2.gz	GXEMOXOWAQOAJW-JTQLQIEISA-N	1	2	326.447	2.265	40	5		EEBBLO
Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(C)c(C)[nH+]1	ZINC000095416513	218355283	/nfs/dbraw/zinc/35/52/83/218355283.db2.gz	SBQCRQJQNOJZTH-UHFFFAOYSA-N	1	2	328.376	2.032	40	5		EEBBLO
Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1	ZINC000097373283	463355748	/nfs/dbraw/zinc/35/57/48/463355748.db2.gz	IJHWWEBNIJQJSM-LBPRGKRZSA-N	1	2	344.371	2.129	40	5		EEBBLO
CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c[nH+]1	ZINC000057923095	463530617	/nfs/dbraw/zinc/53/06/17/463530617.db2.gz	GGZQEIOXRNTJOD-UHFFFAOYSA-N	1	2	330.348	2.074	40	5		EEBBLO
[NH3+][C@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1	ZINC000095533296	463106709	/nfs/dbraw/zinc/10/67/09/463106709.db2.gz	DYLNSOBHUTWDNH-HNNXBMFYSA-N	1	2	343.318	2.479	40	5		EEBBLO
C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000096444972	463270073	/nfs/dbraw/zinc/27/00/73/463270073.db2.gz	SWJAAOSXVLFOHH-GJZGRUSLSA-N	1	2	326.418	2.382	40	5		EEBBLO
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000096444972	463270076	/nfs/dbraw/zinc/27/00/76/463270076.db2.gz	SWJAAOSXVLFOHH-GJZGRUSLSA-N	1	2	326.418	2.382	40	5		EEBBLO
C[NH+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000096502361	218878901	/nfs/dbraw/zinc/87/89/01/218878901.db2.gz	WJWRUWOVNKEVAX-UHFFFAOYSA-N	1	2	329.809	2.114	40	5		EEBBLO
CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O	ZINC000195576725	535493765	/nfs/dbraw/zinc/49/37/65/535493765.db2.gz	AXGHZGPRXKPCAR-CYBMUJFWSA-N	1	2	341.433	2.285	40	5		EEBBLO
CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O	ZINC000195576725	535493769	/nfs/dbraw/zinc/49/37/69/535493769.db2.gz	AXGHZGPRXKPCAR-CYBMUJFWSA-N	1	2	341.433	2.285	40	5		EEBBLO
CCCc1n[nH]c(C(=O)NCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-]	ZINC000096413350	463245739	/nfs/dbraw/zinc/24/57/39/463245739.db2.gz	RYQDHTWUGFOKHU-UHFFFAOYSA-N	1	2	342.359	2.157	40	5		EEBBLO
[NH2+]=C1N=C2NC(=O)c3ccccc3N2[C@H](c2cccc([N+](=O)[O-])c2)N1	ZINC000022241624	295210022	/nfs/dbraw/zinc/21/00/22/295210022.db2.gz	LHZWRAZLUILUJU-CYBMUJFWSA-N	1	2	336.311	2.103	40	5		EEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000408564776	466681471	/nfs/dbraw/zinc/68/14/71/466681471.db2.gz	ACCSUFIDERUHAD-LEFZOWDCSA-N	1	2	341.342	2.394	40	5		EEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000408564776	466681476	/nfs/dbraw/zinc/68/14/76/466681476.db2.gz	ACCSUFIDERUHAD-LEFZOWDCSA-N	1	2	341.342	2.394	40	5		EEBBLO
COc1cc[nH+]c(Cn2cc(Br)c([N+](=O)[O-])n2)c1OC	ZINC000232198433	242273093	/nfs/dbraw/zinc/27/30/93/242273093.db2.gz	LZQJNVNGFOSAMG-UHFFFAOYSA-N	1	2	343.137	2.014	40	5		EEBBLO
Cc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000095534183	463106670	/nfs/dbraw/zinc/10/66/70/463106670.db2.gz	DPMLYKNKGRVAFR-CQSZACIVSA-N	1	2	325.328	2.442	40	5		EEBBLO
Cc1c(F)cc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1[N+](=O)[O-]	ZINC000097097213	463323024	/nfs/dbraw/zinc/32/30/24/463323024.db2.gz	MWLRBZQEUYSAJD-UHFFFAOYSA-N	1	2	337.332	2.189	40	5		EEBBLO
COc1ccc(-c2nnc([C@H]([NH3+])c3ccccc3)[nH]2)cc1[N+](=O)[O-]	ZINC000095533480	463107273	/nfs/dbraw/zinc/10/72/73/463107273.db2.gz	QYBUUADDSZTZPU-CQSZACIVSA-N	1	2	325.328	2.437	40	5		EEBBLO
COc1ccc(-c2nc([C@H]([NH3+])c3ccccc3)n[nH]2)cc1[N+](=O)[O-]	ZINC000095533480	463107278	/nfs/dbraw/zinc/10/72/78/463107278.db2.gz	QYBUUADDSZTZPU-CQSZACIVSA-N	1	2	325.328	2.437	40	5		EEBBLO
CNc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-]	ZINC000097236851	463353064	/nfs/dbraw/zinc/35/30/64/463353064.db2.gz	VDQLORXEPFNMPT-UHFFFAOYSA-N	1	2	341.415	2.349	40	5		EEBBLO
CNc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-]	ZINC000097236851	463353070	/nfs/dbraw/zinc/35/30/70/463353070.db2.gz	VDQLORXEPFNMPT-UHFFFAOYSA-N	1	2	341.415	2.349	40	5		EEBBLO
C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@@H+]1C1CC1	ZINC000225536198	464168911	/nfs/dbraw/zinc/16/89/11/464168911.db2.gz	AEVADVHLNVVUPE-QWRGUYRKSA-N	1	2	339.417	2.035	40	5		EEBBLO
C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@H+]1C1CC1	ZINC000225536198	464168919	/nfs/dbraw/zinc/16/89/19/464168919.db2.gz	AEVADVHLNVVUPE-QWRGUYRKSA-N	1	2	339.417	2.035	40	5		EEBBLO
Cn1cc[nH+]c1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000079781762	217253996	/nfs/dbraw/zinc/25/39/96/217253996.db2.gz	TXUTWKMVGGVFKA-UHFFFAOYSA-N	1	2	342.277	2.320	40	5		EEBBLO
COc1cccc([C@@H]([NH3+])c2nc(Cc3ccc([N+](=O)[O-])cc3)n[nH]2)c1	ZINC000095533583	463107227	/nfs/dbraw/zinc/10/72/27/463107227.db2.gz	CWJKFZLCCZZEKL-MRXNPFEDSA-N	1	2	339.355	2.360	40	5		EEBBLO
COc1cccc([C@@H]([NH3+])c2nnc(Cc3ccc([N+](=O)[O-])cc3)[nH]2)c1	ZINC000095533583	463107233	/nfs/dbraw/zinc/10/72/33/463107233.db2.gz	CWJKFZLCCZZEKL-MRXNPFEDSA-N	1	2	339.355	2.360	40	5		EEBBLO
Cn1ncc2c1nc[nH+]c2SCCOc1ccccc1[N+](=O)[O-]	ZINC000053713817	214195685	/nfs/dbraw/zinc/19/56/85/214195685.db2.gz	JCAMUHHMAKRRAK-UHFFFAOYSA-N	1	2	331.357	2.443	40	5		EEBBLO
O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc1	ZINC000273689385	285174348	/nfs/dbraw/zinc/17/43/48/285174348.db2.gz	BCKGQXGOTFQQTM-UHFFFAOYSA-N	1	2	333.779	2.360	40	5		EEBBLO
[NH3+][C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1	ZINC000095533317	463107718	/nfs/dbraw/zinc/10/77/18/463107718.db2.gz	GARURNDAUFPKEL-HNNXBMFYSA-N	1	2	327.319	2.491	40	5		EEBBLO
[NH3+][C@H](c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1)c1ccc(F)cc1	ZINC000095533317	463107720	/nfs/dbraw/zinc/10/77/20/463107720.db2.gz	GARURNDAUFPKEL-HNNXBMFYSA-N	1	2	327.319	2.491	40	5		EEBBLO
[NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)[nH]1	ZINC000095534922	463108733	/nfs/dbraw/zinc/10/87/33/463108733.db2.gz	VYUHXJFGNISEPK-LBPRGKRZSA-N	1	2	325.328	2.328	40	5		EEBBLO
COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccn3)CC2)c1	ZINC000096453282	463273953	/nfs/dbraw/zinc/27/39/53/463273953.db2.gz	FZCYUULTHAAEBO-UHFFFAOYSA-N	1	2	346.362	2.460	40	5		EEBBLO
Cc1ccc([C@H]([NH3+])c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000095534182	463107254	/nfs/dbraw/zinc/10/72/54/463107254.db2.gz	DPMLYKNKGRVAFR-AWEZNQCLSA-N	1	2	325.328	2.442	40	5		EEBBLO
[NH3+][C@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1	ZINC000095533319	463107334	/nfs/dbraw/zinc/10/73/34/463107334.db2.gz	NPRWJWZVOZKGSC-HNNXBMFYSA-N	1	2	343.318	2.479	40	5		EEBBLO
COc1cccc([C@H]([NH3+])c2nc(Cc3ccc([N+](=O)[O-])cc3)n[nH]2)c1	ZINC000095533582	463106353	/nfs/dbraw/zinc/10/63/53/463106353.db2.gz	CWJKFZLCCZZEKL-INIZCTEOSA-N	1	2	339.355	2.360	40	5		EEBBLO
COc1cccc([C@H]([NH3+])c2nnc(Cc3ccc([N+](=O)[O-])cc3)[nH]2)c1	ZINC000095533582	463106360	/nfs/dbraw/zinc/10/63/60/463106360.db2.gz	CWJKFZLCCZZEKL-INIZCTEOSA-N	1	2	339.355	2.360	40	5		EEBBLO
Cc1ccc(NCCCNC(=O)[C@@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000096417189	463249374	/nfs/dbraw/zinc/24/93/74/463249374.db2.gz	BFCDYIOCMVDFCV-CYBMUJFWSA-N	1	2	331.376	2.279	40	5		EEBBLO
C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@@H+]1C1CC1	ZINC000225536255	464169478	/nfs/dbraw/zinc/16/94/78/464169478.db2.gz	AEVADVHLNVVUPE-WDEREUQCSA-N	1	2	339.417	2.035	40	5		EEBBLO
C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@H+]1C1CC1	ZINC000225536255	464169483	/nfs/dbraw/zinc/16/94/83/464169483.db2.gz	AEVADVHLNVVUPE-WDEREUQCSA-N	1	2	339.417	2.035	40	5		EEBBLO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nccn3C(F)F)C2)nc1	ZINC000096443418	463268390	/nfs/dbraw/zinc/26/83/90/463268390.db2.gz	BUKVSJGHLBGBBP-JTQLQIEISA-N	1	2	338.318	2.268	40	5		EEBBLO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nccn3C(F)F)C2)nc1	ZINC000096443418	463268395	/nfs/dbraw/zinc/26/83/95/463268395.db2.gz	BUKVSJGHLBGBBP-JTQLQIEISA-N	1	2	338.318	2.268	40	5		EEBBLO
CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nccs1	ZINC000096443377	463268770	/nfs/dbraw/zinc/26/87/70/463268770.db2.gz	GMZRSPPSRFNVHI-UHFFFAOYSA-N	1	2	346.412	2.465	40	5		EEBBLO
Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1	ZINC000097097762	463322583	/nfs/dbraw/zinc/32/25/83/463322583.db2.gz	JFGFWUMHYWFMGN-UHFFFAOYSA-N	1	2	344.371	2.129	40	5		EEBBLO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000195567520	241014489	/nfs/dbraw/zinc/01/44/89/241014489.db2.gz	LHVZTUSWTBSUFR-CYBMUJFWSA-N	1	2	330.344	2.110	40	5		EEBBLO
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CCOC(C)C)CC1	ZINC000074389827	202373415	/nfs/dbraw/zinc/37/34/15/202373415.db2.gz	RXDUFUVJNHOYHU-UHFFFAOYSA-N	1	2	335.404	2.086	40	5		EEBBLO
Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1	ZINC000253426807	465011575	/nfs/dbraw/zinc/01/15/75/465011575.db2.gz	XRSBMKHOQIPJDL-CQSZACIVSA-N	1	2	343.387	2.417	40	5		EEBBLO
[NH3+][C@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccccc1	ZINC000095533434	463107309	/nfs/dbraw/zinc/10/73/09/463107309.db2.gz	OIELFWNPVZZVEG-HNNXBMFYSA-N	1	2	325.328	2.340	40	5		EEBBLO
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2ccccc2[nH+]1	ZINC000195576673	464080384	/nfs/dbraw/zinc/08/03/84/464080384.db2.gz	SPTDQEOTFGBHQJ-UHFFFAOYSA-N	1	2	346.368	2.258	40	5		EEBBLO
COc1ccc(-c2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)cc1[N+](=O)[O-]	ZINC000095533481	463106642	/nfs/dbraw/zinc/10/66/42/463106642.db2.gz	QYBUUADDSZTZPU-AWEZNQCLSA-N	1	2	325.328	2.437	40	5		EEBBLO
COc1ccc(-c2nc([C@@H]([NH3+])c3ccccc3)n[nH]2)cc1[N+](=O)[O-]	ZINC000095533481	463106645	/nfs/dbraw/zinc/10/66/45/463106645.db2.gz	QYBUUADDSZTZPU-AWEZNQCLSA-N	1	2	325.328	2.437	40	5		EEBBLO
CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])cc2C(C)=O)CC1	ZINC000225817811	535718464	/nfs/dbraw/zinc/71/84/64/535718464.db2.gz	BIEZIHGXOJYDOB-CQSZACIVSA-N	1	2	348.447	2.483	40	5		EEBBLO
CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O	ZINC000195576728	241022794	/nfs/dbraw/zinc/02/27/94/241022794.db2.gz	AXGHZGPRXKPCAR-ZDUSSCGKSA-N	1	2	341.433	2.285	40	5		EEBBLO
CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O	ZINC000195576728	241022797	/nfs/dbraw/zinc/02/27/97/241022797.db2.gz	AXGHZGPRXKPCAR-ZDUSSCGKSA-N	1	2	341.433	2.285	40	5		EEBBLO
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-n2cc[nH+]c2)c(F)c1	ZINC000065809701	462830540	/nfs/dbraw/zinc/83/05/40/462830540.db2.gz	NAHNZQCTYUOYIH-UHFFFAOYSA-N	1	2	344.306	2.145	40	5		EEBBLO
CNc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-]	ZINC000097236818	463352071	/nfs/dbraw/zinc/35/20/71/463352071.db2.gz	FRNLSQGTWIIHKU-UHFFFAOYSA-N	1	2	341.415	2.349	40	5		EEBBLO
CNc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-]	ZINC000097236818	463352074	/nfs/dbraw/zinc/35/20/74/463352074.db2.gz	FRNLSQGTWIIHKU-UHFFFAOYSA-N	1	2	341.415	2.349	40	5		EEBBLO
O=C(c1ccco1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000051182697	463024512	/nfs/dbraw/zinc/02/45/12/463024512.db2.gz	SHCNCVCCAYAOOK-UHFFFAOYSA-N	1	2	329.356	2.188	40	5		EEBBLO
C[C@@H]1C[NH+]=C(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)S1	ZINC000078400556	463113343	/nfs/dbraw/zinc/11/33/43/463113343.db2.gz	HGDKHCISOLSTEZ-SECBINFHSA-N	1	2	341.824	2.257	40	5		EEBBLO
[NH3+][C@@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1	ZINC000095533297	218433343	/nfs/dbraw/zinc/43/33/43/218433343.db2.gz	DYLNSOBHUTWDNH-OAHLLOKOSA-N	1	2	343.318	2.479	40	5		EEBBLO
COc1cccc(C(=O)NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-]	ZINC000192620659	464960234	/nfs/dbraw/zinc/96/02/34/464960234.db2.gz	PLEAXUOTSSCELV-UHFFFAOYSA-N	1	2	332.360	2.386	40	5		EEBBLO
COc1cc([N+](=O)[O-])cc(Br)c1N1CC[NH+](C)CC1	ZINC000045885984	277839584	/nfs/dbraw/zinc/83/95/84/277839584.db2.gz	YZOAUZWNLYHJTJ-UHFFFAOYSA-N	1	2	330.182	2.118	40	5		EEBBLO
O=c1c(Br)cc([N+](=O)[O-])cn1Cc1[nH+]ccn1C(F)F	ZINC000096474425	463280620	/nfs/dbraw/zinc/28/06/20/463280620.db2.gz	QZIKZPXGRXQSMO-UHFFFAOYSA-N	1	2	349.091	2.159	40	5		EEBBLO
[NH3+][C@@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccccc1	ZINC000095533435	463106270	/nfs/dbraw/zinc/10/62/70/463106270.db2.gz	OIELFWNPVZZVEG-OAHLLOKOSA-N	1	2	325.328	2.340	40	5		EEBBLO
CSc1ccc(SCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000019863580	202024461	/nfs/dbraw/zinc/02/44/61/202024461.db2.gz	VCBBWFKWZPIKBW-UHFFFAOYSA-N	1	2	341.458	2.183	40	5		EEBBLO
Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cc[nH+]cc2)cc1[N+](=O)[O-]	ZINC000006088814	462677446	/nfs/dbraw/zinc/67/74/46/462677446.db2.gz	HPKIMRNVIHQBAJ-UHFFFAOYSA-N	1	2	338.301	2.007	40	5		EEBBLO
CN(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1=CCCC1	ZINC000040050365	535989412	/nfs/dbraw/zinc/98/94/12/535989412.db2.gz	AIUGDGVPMHRMJO-UHFFFAOYSA-N	1	2	344.415	2.243	40	5		EEBBLO
C[C@@H]1C[NH+]=C(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)S1	ZINC000096449196	463272344	/nfs/dbraw/zinc/27/23/44/463272344.db2.gz	GXEMOXOWAQOAJW-SNVBAGLBSA-N	1	2	326.447	2.265	40	5		EEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000408564778	466681195	/nfs/dbraw/zinc/68/11/95/466681195.db2.gz	ACCSUFIDERUHAD-ORTWKNBUSA-N	1	2	341.342	2.394	40	5		EEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000408564778	466681202	/nfs/dbraw/zinc/68/12/02/466681202.db2.gz	ACCSUFIDERUHAD-ORTWKNBUSA-N	1	2	341.342	2.394	40	5		EEBBLO
CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000152637933	462561153	/nfs/dbraw/zinc/56/11/53/462561153.db2.gz	NBWNNMGUARTQIL-UHFFFAOYSA-N	1	2	337.357	2.214	40	5		EEBBLO
COC(=O)c1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c[nH]1	ZINC000096489451	463285286	/nfs/dbraw/zinc/28/52/86/463285286.db2.gz	QVTFVTYWNWGIFR-UHFFFAOYSA-N	1	2	344.371	2.032	40	5		EEBBLO
CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2C(C)=O)CC1	ZINC000225817827	535707136	/nfs/dbraw/zinc/70/71/36/535707136.db2.gz	BIEZIHGXOJYDOB-AWEZNQCLSA-N	1	2	348.447	2.483	40	5		EEBBLO
O=[N+]([O-])c1cncc(Br)c1NCCCn1cc[nH+]c1	ZINC000091424933	203073765	/nfs/dbraw/zinc/07/37/65/203073765.db2.gz	MAOURSCOHXSAIY-UHFFFAOYSA-N	1	2	326.154	2.451	40	5		EEBBLO
COc1c(C(=O)N2CC[NH+](C)CC2)cc(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000072206671	463482643	/nfs/dbraw/zinc/48/26/43/463482643.db2.gz	NROKQUPOCUCRGO-UHFFFAOYSA-N	1	2	335.404	2.289	40	5		EEBBLO
COc1ccc([C@H]([NH3+])c2nc(Cc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	ZINC000095533724	463106426	/nfs/dbraw/zinc/10/64/26/463106426.db2.gz	VDTWBXVSDBAFEH-INIZCTEOSA-N	1	2	339.355	2.360	40	5		EEBBLO
COc1ccc([C@H]([NH3+])c2nnc(Cc3ccc([N+](=O)[O-])cc3)[nH]2)cc1	ZINC000095533724	463106434	/nfs/dbraw/zinc/10/64/34/463106434.db2.gz	VDTWBXVSDBAFEH-INIZCTEOSA-N	1	2	339.355	2.360	40	5		EEBBLO
CCOC(=O)c1cc(Cl)c(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000070462662	463376623	/nfs/dbraw/zinc/37/66/23/463376623.db2.gz	YECATZKHIOABTC-UHFFFAOYSA-N	1	2	327.768	2.177	40	5		EEBBLO
C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000096444971	463270105	/nfs/dbraw/zinc/27/01/05/463270105.db2.gz	SWJAAOSXVLFOHH-CABCVRRESA-N	1	2	326.418	2.382	40	5		EEBBLO
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000096444971	463270112	/nfs/dbraw/zinc/27/01/12/463270112.db2.gz	SWJAAOSXVLFOHH-CABCVRRESA-N	1	2	326.418	2.382	40	5		EEBBLO
CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C2	ZINC000191601462	528327409	/nfs/dbraw/zinc/32/74/09/528327409.db2.gz	ZKZJUYTVZBSSII-UHFFFAOYSA-N	1	2	343.387	2.232	40	5		EEBBLO
CC[NH+]1CCN(c2c(Cl)cc(C(=O)OC)cc2[N+](=O)[O-])CC1	ZINC000070462685	279373226	/nfs/dbraw/zinc/37/32/26/279373226.db2.gz	UOVVFJRGUBXMKX-UHFFFAOYSA-N	1	2	327.768	2.177	40	5		EEBBLO
Cc1ccc(C)c(S(=O)(=O)N2CCc3c[nH+]ccc32)c1[N+](=O)[O-]	ZINC000190054400	301553951	/nfs/dbraw/zinc/55/39/51/301553951.db2.gz	WDTANAKDAWBWFS-UHFFFAOYSA-N	1	2	333.369	2.358	40	5		EEBBLO
[NH3+][C@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1	ZINC000095533456	463107584	/nfs/dbraw/zinc/10/75/84/463107584.db2.gz	NALBAOGRXWKQFN-HNNXBMFYSA-N	1	2	325.328	2.340	40	5		EEBBLO
CC[N@H+](CC(=O)NCCCOC(C)C)Cc1ccccc1[N+](=O)[O-]	ZINC000040087777	213260045	/nfs/dbraw/zinc/26/00/45/213260045.db2.gz	LTAGBZDNBWBZED-UHFFFAOYSA-N	1	2	337.420	2.348	40	5		EEBBLO
CC[N@@H+](CC(=O)NCCCOC(C)C)Cc1ccccc1[N+](=O)[O-]	ZINC000040087777	213260049	/nfs/dbraw/zinc/26/00/49/213260049.db2.gz	LTAGBZDNBWBZED-UHFFFAOYSA-N	1	2	337.420	2.348	40	5		EEBBLO
[NH3+][C@@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1	ZINC000095533318	463107529	/nfs/dbraw/zinc/10/75/29/463107529.db2.gz	NPRWJWZVOZKGSC-OAHLLOKOSA-N	1	2	343.318	2.479	40	5		EEBBLO
C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@@H+]1C1CC1	ZINC000225536226	464169343	/nfs/dbraw/zinc/16/93/43/464169343.db2.gz	AEVADVHLNVVUPE-GHMZBOCLSA-N	1	2	339.417	2.035	40	5		EEBBLO
C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[N@H+]1C1CC1	ZINC000225536226	464169347	/nfs/dbraw/zinc/16/93/47/464169347.db2.gz	AEVADVHLNVVUPE-GHMZBOCLSA-N	1	2	339.417	2.035	40	5		EEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000408564777	257896733	/nfs/dbraw/zinc/89/67/33/257896733.db2.gz	ACCSUFIDERUHAD-LUUCLCGZSA-N	1	2	341.342	2.394	40	5		EEBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000408564777	257896734	/nfs/dbraw/zinc/89/67/34/257896734.db2.gz	ACCSUFIDERUHAD-LUUCLCGZSA-N	1	2	341.342	2.394	40	5		EEBBLO
[NH2+]=C1N=C2NC(=O)c3ccccc3N2[C@@H](c2cccc([N+](=O)[O-])c2)N1	ZINC000022241628	463047144	/nfs/dbraw/zinc/04/71/44/463047144.db2.gz	LHZWRAZLUILUJU-ZDUSSCGKSA-N	1	2	336.311	2.103	40	5		EEBBLO
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1	ZINC000057460466	132201010	/nfs/dbraw/zinc/20/10/10/132201010.db2.gz	HPOGXAZMTVXJLH-UHFFFAOYSA-N	1	2	340.383	2.356	40	5		EEBBLO
Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c[nH+]1	ZINC000225535768	464168963	/nfs/dbraw/zinc/16/89/63/464168963.db2.gz	CMEFTUVLRZYYKD-UHFFFAOYSA-N	1	2	335.385	2.356	40	5		EEBBLO
Cc1n[nH]c(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-]	ZINC000096436766	463264699	/nfs/dbraw/zinc/26/46/99/463264699.db2.gz	ONOIHNVVWOSGJA-UHFFFAOYSA-N	1	2	340.343	2.016	40	5		EEBBLO
C[C@H]1C[NH+]=C(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)S1	ZINC000078400558	463113645	/nfs/dbraw/zinc/11/36/45/463113645.db2.gz	HGDKHCISOLSTEZ-VIFPVBQESA-N	1	2	341.824	2.257	40	5		EEBBLO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nccn3C(F)F)C2)nc1	ZINC000096443417	463268353	/nfs/dbraw/zinc/26/83/53/463268353.db2.gz	BUKVSJGHLBGBBP-SNVBAGLBSA-N	1	2	338.318	2.268	40	5		EEBBLO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nccn3C(F)F)C2)nc1	ZINC000096443417	463268356	/nfs/dbraw/zinc/26/83/56/463268356.db2.gz	BUKVSJGHLBGBBP-SNVBAGLBSA-N	1	2	338.318	2.268	40	5		EEBBLO