smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C)[C@@](C)(C(=O)[O-])C1	ZINC000071979663	203156114	/nfs/dbraw/zinc/15/61/14/203156114.db2.gz	CELHCTOOHSRZIU-OAHLLOKOSA-N	-1	0	335.316	1.876	40	5		EDBBRM
O=C([O-])[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000016477133	441225238	/nfs/dbraw/zinc/22/52/38/441225238.db2.gz	PQFOVTUBZWHESN-ZDUSSCGKSA-N	-1	0	336.325	1.699	40	5		EDBBRM
CC(C)(C)OC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(=O)[O-]	ZINC000002522691	440865458	/nfs/dbraw/zinc/86/54/58/440865458.db2.gz	RSNWSFSGQPYINB-NEPJUHHUSA-N	-1	0	340.332	1.476	40	5		EDBBRM
O=C([O-])CNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)n1	ZINC000328979188	444432541	/nfs/dbraw/zinc/43/25/41/444432541.db2.gz	GEDQFHGDKQKYPA-UHFFFAOYSA-N	-1	0	347.306	1.485	40	5		EDBBRM
C[C@@H](Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1C)C(=O)[O-]	ZINC000004130627	296214197	/nfs/dbraw/zinc/21/41/97/296214197.db2.gz	MUGWFWVXBNQWSE-MRVPVSSYSA-N	-1	0	338.345	1.868	40	5		EDBBRM
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	ZINC000002048694	440854913	/nfs/dbraw/zinc/85/49/13/440854913.db2.gz	HVFGSPHUECNWHF-AWEZNQCLSA-N	-1	0	340.291	1.887	40	5		EDBBRM
CSc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000225805994	242044570	/nfs/dbraw/zinc/04/45/70/242044570.db2.gz	HEKINNCAZSFRRH-UHFFFAOYSA-N	-1	0	332.388	1.969	40	5		EDBBRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nccc(=O)[nH]1	ZINC000016546083	304227938	/nfs/dbraw/zinc/22/79/38/304227938.db2.gz	PERHPVANHNJTML-UHFFFAOYSA-N	-1	0	338.257	1.848	40	5		EDBBRM
C[C@@H]1CC[C@H]2C(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	ZINC000408682148	250307730	/nfs/dbraw/zinc/30/77/30/250307730.db2.gz	JBTVTFWNWHJQMB-CKYFFXLPSA-N	-1	0	331.328	1.661	40	5		EDBBRM
C[S@@](=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004517228	300880876	/nfs/dbraw/zinc/88/08/76/300880876.db2.gz	FTOHDWRUZIRPDU-AUADJRAKSA-N	-1	0	331.306	1.137	40	5		EDBBRM
O=C([O-])CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(C2CC2)[nH+]1	ZINC000328971628	444429194	/nfs/dbraw/zinc/42/91/94/444429194.db2.gz	DQQXFFGEQPZLGM-UHFFFAOYSA-N	-1	0	343.343	1.215	40	5		EDBBRM
CCc1nnc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)s1	ZINC000005249421	440943434	/nfs/dbraw/zinc/94/34/34/440943434.db2.gz	CQJSUZHNIPXWPT-UHFFFAOYSA-N	-1	0	332.338	1.949	40	5		EDBBRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004902709	210317913	/nfs/dbraw/zinc/31/79/13/210317913.db2.gz	OWPVEEOWFPPUHS-KXNHARMFSA-N	-1	0	338.703	1.841	40	5		EDBBRM
C[S@](=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004517229	440921516	/nfs/dbraw/zinc/92/15/16/440921516.db2.gz	FTOHDWRUZIRPDU-GTUYJWLHSA-N	-1	0	331.306	1.137	40	5		EDBBRM
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(OC)c1OC	ZINC000006145695	440982342	/nfs/dbraw/zinc/98/23/42/440982342.db2.gz	XLCVQBMKKZZSRI-GQCTYLIASA-N	-1	0	349.299	1.168	40	5		EDBBRM
O=C([O-])[C@H](NC(=O)Cc1ccccc1)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226265	440810111	/nfs/dbraw/zinc/81/01/11/440810111.db2.gz	RENAMBKOZOYKFB-CVEARBPZSA-N	-1	0	344.323	1.440	40	5		EDBBRM
O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@]2(C1)COCc1cncnc12	ZINC000247314326	285137255	/nfs/dbraw/zinc/13/72/55/285137255.db2.gz	JQGCTKYZUCROFJ-KRWDZBQOSA-N	-1	0	342.355	1.764	40	5		EDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2c(F)c(F)c(F)c(F)c2F)[nH]1	ZINC000006021236	440977857	/nfs/dbraw/zinc/97/78/57/440977857.db2.gz	YZKXXKQJRANESQ-OWOJBTEDSA-N	-1	0	349.171	1.837	40	5		EDBBRM
O=C([O-])[C@H](NC(=O)Cc1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000226253	440809195	/nfs/dbraw/zinc/80/91/95/440809195.db2.gz	IFHGSFZYSMEXQO-HZPDHXFCSA-N	-1	0	344.323	1.440	40	5		EDBBRM
O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccccc1[N+](=O)[O-]	ZINC000000045724	440795621	/nfs/dbraw/zinc/79/56/21/440795621.db2.gz	ILMLQOOICRJTAX-UHFFFAOYSA-N	-1	0	342.336	1.977	40	5		EDBBRM
CCC(=O)OCCn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2	ZINC000001712550	440851504	/nfs/dbraw/zinc/85/15/04/440851504.db2.gz	ULFXAHIPUASXNF-UHFFFAOYSA-N	-1	0	342.355	1.155	40	5		EDBBRM
O=C([O-])C1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000008570173	441096114	/nfs/dbraw/zinc/09/61/14/441096114.db2.gz	LEKBPEYXSKQNLD-CYBMUJFWSA-N	-1	0	347.327	1.023	40	5		EDBBRM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000181327810	442690899	/nfs/dbraw/zinc/69/08/99/442690899.db2.gz	IOVBJGZJEFOKKE-UHFFFAOYSA-N	-1	0	349.324	1.841	40	5		EDBBRM
COc1c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cccc1[N+](=O)[O-]	ZINC000033646608	441596112	/nfs/dbraw/zinc/59/61/12/441596112.db2.gz	CRFOTKVCVTWFIA-AATRIKPKSA-N	-1	0	334.244	1.471	40	5		EDBBRM
CSc1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000041017582	441630209	/nfs/dbraw/zinc/63/02/09/441630209.db2.gz	XAHKZJSBRLEKFV-UHFFFAOYSA-N	-1	0	332.388	1.969	40	5		EDBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Cl)c1O	ZINC000004853168	210300550	/nfs/dbraw/zinc/30/05/50/210300550.db2.gz	MEAVAMUVFRXTAX-NSCUHMNNSA-N	-1	0	339.691	1.922	40	5		EDBBRM
O=C([O-])c1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O	ZINC000004093911	304251287	/nfs/dbraw/zinc/25/12/87/304251287.db2.gz	FOILVJIBZXSNNX-OZVVPTBGSA-N	-1	0	330.296	1.829	40	5		EDBBRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2C=C[C@@H]1O2	ZINC000004902711	210317592	/nfs/dbraw/zinc/31/75/92/210317592.db2.gz	OWPVEEOWFPPUHS-RHYQMDGZSA-N	-1	0	338.703	1.841	40	5		EDBBRM
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C)[C@](C)(C(=O)[O-])C1	ZINC000071979664	285672869	/nfs/dbraw/zinc/67/28/69/285672869.db2.gz	CELHCTOOHSRZIU-HNNXBMFYSA-N	-1	0	335.316	1.876	40	5		EDBBRM
O=C([O-])[C@@H](NC(=O)Cc1ccccc1)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226263	440809927	/nfs/dbraw/zinc/80/99/27/440809927.db2.gz	RENAMBKOZOYKFB-HOTGVXAUSA-N	-1	0	344.323	1.440	40	5		EDBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1	ZINC000007363400	441047228	/nfs/dbraw/zinc/04/72/28/441047228.db2.gz	FLUWELPTKDZCOC-UHFFFAOYSA-N	-1	0	335.341	1.803	40	5		EDBBRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000004299287	210163811	/nfs/dbraw/zinc/16/38/11/210163811.db2.gz	JHJOGYYIDLAMQW-MNOVXSKESA-N	-1	0	326.305	1.606	40	5		EDBBRM
C[C@@H]1CC[C@H]2C(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	ZINC000408682149	296748326	/nfs/dbraw/zinc/74/83/26/296748326.db2.gz	JBTVTFWNWHJQMB-FOGDFJRCSA-N	-1	0	331.328	1.661	40	5		EDBBRM
CCOC(=O)C1=NN(c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1	ZINC000071979420	441202626	/nfs/dbraw/zinc/20/26/26/441202626.db2.gz	DYDGOPQTQGISHK-LLVKDONJSA-N	-1	0	341.707	1.831	40	5		EDBBRM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc2o1	ZINC000223313177	443088507	/nfs/dbraw/zinc/08/85/07/443088507.db2.gz	LAGPFOOATOPCTH-UHFFFAOYSA-N	-1	0	335.297	1.830	40	5		EDBBRM
O=C([O-])COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1	ZINC000409339746	447683192	/nfs/dbraw/zinc/68/31/92/447683192.db2.gz	XQSDPIBRFOJHCC-UTCJRWHESA-N	-1	0	333.256	1.430	40	5		EDBBRM
Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000027529734	441404986	/nfs/dbraw/zinc/40/49/86/441404986.db2.gz	WRUWAODQVQJHNX-QWRGUYRKSA-N	-1	0	325.321	1.534	40	5		EDBBRM
C[C@@H]1CC[C@@H]2C(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	ZINC000408682151	250307583	/nfs/dbraw/zinc/30/75/83/250307583.db2.gz	JBTVTFWNWHJQMB-SCVCMEIPSA-N	-1	0	331.328	1.661	40	5		EDBBRM
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000409134063	250308887	/nfs/dbraw/zinc/30/88/87/250308887.db2.gz	RRSGCTQMAWTLKF-BJMVGYQFSA-N	-1	0	338.297	1.724	40	5		EDBBRM
Cn1c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=S	ZINC000005812048	440969464	/nfs/dbraw/zinc/96/94/64/440969464.db2.gz	JHCMQNWSXOHQDS-UHFFFAOYSA-N	-1	0	336.329	1.319	40	5		EDBBRM
CCN1C(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)N(C)C1=S	ZINC000409044613	447681235	/nfs/dbraw/zinc/68/12/35/447681235.db2.gz	HAELNLZAJRHAOY-POHAHGRESA-N	-1	0	337.357	1.729	40	5		EDBBRM
CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O	ZINC000408818869	447680797	/nfs/dbraw/zinc/68/07/97/447680797.db2.gz	ZCSSNRHHUYTULF-BAQGIRSFSA-N	-1	0	325.258	1.875	40	5		EDBBRM
COc1ccc([N+](=O)[O-])cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000409312159	447683269	/nfs/dbraw/zinc/68/32/69/447683269.db2.gz	JSVWCGXBYPDHDJ-RQOWECAXSA-N	-1	0	334.244	1.883	40	5		EDBBRM
Cn1c2ccnc([N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2n(C)c1=O	ZINC000070503635	203078667	/nfs/dbraw/zinc/07/86/67/203078667.db2.gz	PATJHODJNQWXFO-UHFFFAOYSA-N	-1	0	344.287	1.832	40	5		EDBBRM
O=C([O-])CN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005883020	206507196	/nfs/dbraw/zinc/50/71/96/206507196.db2.gz	MRVHYDCQEQXHKD-UHFFFAOYSA-N	-1	0	336.325	1.875	40	5		EDBBRM
O=C([O-])[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000045958722	201106065	/nfs/dbraw/zinc/10/60/65/201106065.db2.gz	IFZQGTWAWZOQIO-QMMMGPOBSA-N	-1	0	327.724	1.593	40	5		EDBBRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000004299163	201595771	/nfs/dbraw/zinc/59/57/71/201595771.db2.gz	GDXDSHGVWARKQX-GHMZBOCLSA-N	-1	0	326.305	1.606	40	5		EDBBRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000004299286	278441781	/nfs/dbraw/zinc/44/17/81/278441781.db2.gz	JHJOGYYIDLAMQW-QWRGUYRKSA-N	-1	0	326.305	1.606	40	5		EDBBRM
O=C([O-])C1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000021123142	212209449	/nfs/dbraw/zinc/20/94/49/212209449.db2.gz	LEKBPEYXSKQNLD-ZDUSSCGKSA-N	-1	0	347.327	1.023	40	5		EDBBRM
CC1=CC[C@H]2C(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	ZINC000008475064	441092784	/nfs/dbraw/zinc/09/27/84/441092784.db2.gz	IGQSLEMLRBJTGM-PWSUYJOCSA-N	-1	0	329.312	1.581	40	5		EDBBRM
O=C([O-])[C@@H]1CC(=O)N(CCNc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000045958824	201106455	/nfs/dbraw/zinc/10/64/55/201106455.db2.gz	HZCLTDPYGWVZHC-MRVPVSSYSA-N	-1	0	327.724	1.593	40	5		EDBBRM
CC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000001532310	440846331	/nfs/dbraw/zinc/84/63/31/440846331.db2.gz	DKCMLZRPNSABAR-QMMMGPOBSA-N	-1	0	329.290	1.184	40	5	in-vitro	EDBBRM
CCN1CCN(c2nn(-c3ccccc3[N+](=O)[O-])nc2C(=O)[O-])CC1	ZINC000256047372	443115495	/nfs/dbraw/zinc/11/54/95/443115495.db2.gz	MEKROZXGXPHODF-UHFFFAOYSA-N	-1	0	346.347	1.016	40	5		EDBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC	ZINC000005906355	440973125	/nfs/dbraw/zinc/97/31/25/440973125.db2.gz	QMOUSJIWVAWPNM-GQCTYLIASA-N	-1	0	333.300	1.961	40	5		EDBBRM
CCCN1C(=O)C(=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)NC1=S	ZINC000409086034	250309350	/nfs/dbraw/zinc/30/93/50/250309350.db2.gz	PTZICVPMCZVHDZ-UITAMQMPSA-N	-1	0	337.357	1.777	40	5		EDBBRM
CCOC(=O)C1=NN(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1	ZINC000071979419	215987418	/nfs/dbraw/zinc/98/74/18/215987418.db2.gz	DYDGOPQTQGISHK-NSHDSACASA-N	-1	0	341.707	1.831	40	5		EDBBRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O	ZINC000408593498	250305362	/nfs/dbraw/zinc/30/53/62/250305362.db2.gz	QCHOERODXHVWNT-FPYGCLRLSA-N	-1	0	325.664	1.226	40	5		EDBBRM
CCCCOC(=O)c1cc([N+](=O)[O-])c(NCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000059489758	441228911	/nfs/dbraw/zinc/22/89/11/441228911.db2.gz	DPOQASATRVZLEI-UHFFFAOYSA-N	-1	0	341.276	1.956	40	5		EDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc([N+](=O)[O-])ccc2Cl)[nH]1	ZINC000006480346	440994148	/nfs/dbraw/zinc/99/41/48/440994148.db2.gz	DEGWDONXGPSEFU-DAFODLJHSA-N	-1	0	338.663	1.703	40	5		EDBBRM
CSc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000041017645	441630258	/nfs/dbraw/zinc/63/02/58/441630258.db2.gz	AQWKTNNTZRIJBV-UHFFFAOYSA-N	-1	0	332.388	1.969	40	5		EDBBRM
NS(=O)(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000408712743	447679280	/nfs/dbraw/zinc/67/92/80/447679280.db2.gz	MRDBFFWCHUHUKP-UHFFFAOYSA-N	-1	0	337.313	1.684	40	5		EDBBRM
CCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409236063	250309054	/nfs/dbraw/zinc/30/90/54/250309054.db2.gz	RLSSYBHXTCAPJV-WEVVVXLNSA-N	-1	0	336.260	1.511	40	5		EDBBRM
CC1=CC[C@H]2C(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	ZINC000408681701	250307184	/nfs/dbraw/zinc/30/71/84/250307184.db2.gz	IGQSLEMLRBJTGM-ZYHUDNBSSA-N	-1	0	329.312	1.581	40	5		EDBBRM
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Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])n1	ZINC000107846409	441432155	/nfs/dbraw/zinc/43/21/55/441432155.db2.gz	FMVRBCPRESHTSP-UHFFFAOYSA-N	-1	0	336.329	1.423	40	5		EDBBRM
Cc1nnc(Sc2c(Cl)cc(C(=O)[O-])cc2[N+](=O)[O-])n1N	ZINC000070462479	441112720	/nfs/dbraw/zinc/11/27/20/441112720.db2.gz	WJNDPNBRPVYPGZ-UHFFFAOYSA-N	-1	0	329.725	1.711	40	5		EDBBRM
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CC(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)s1	ZINC000223104033	241602823	/nfs/dbraw/zinc/60/28/23/241602823.db2.gz	ZRXJQUKVFKFPCF-UHFFFAOYSA-N	-1	0	343.346	1.206	40	5		EDBBRM
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Nc1nnc(Sc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])s1	ZINC000016383305	303506852	/nfs/dbraw/zinc/50/68/52/303506852.db2.gz	UZCRYIOKTZNRDA-UHFFFAOYSA-N	-1	0	343.302	1.786	40	5		EDBBRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000004299162	440913748	/nfs/dbraw/zinc/91/37/48/440913748.db2.gz	GDXDSHGVWARKQX-WDEREUQCSA-N	-1	0	326.305	1.606	40	5		EDBBRM
Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000027529733	202156344	/nfs/dbraw/zinc/15/63/44/202156344.db2.gz	WRUWAODQVQJHNX-WDEREUQCSA-N	-1	0	325.321	1.534	40	5		EDBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(C)C(=S)N2C)c1[O-]	ZINC000409046440	447682389	/nfs/dbraw/zinc/68/23/89/447682389.db2.gz	KFDJDHGAUBHLCF-POHAHGRESA-N	-1	0	337.357	1.729	40	5		EDBBRM
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CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C(=O)[O-])C1	ZINC000071979252	203155880	/nfs/dbraw/zinc/15/58/80/203155880.db2.gz	CBCZXDAANRQCFB-LLVKDONJSA-N	-1	0	341.707	1.831	40	5		EDBBRM
CCOC(=O)C1=NN(c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C(=O)[O-])C1	ZINC000071979282	203156373	/nfs/dbraw/zinc/15/63/73/203156373.db2.gz	HNIHOVWSWKHTIQ-LLVKDONJSA-N	-1	0	341.707	1.831	40	5		EDBBRM
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CCOc1c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cccc1OC	ZINC000033461905	441595501	/nfs/dbraw/zinc/59/55/01/441595501.db2.gz	JNHCXUDUMVKARB-FPLPWBNLSA-N	-1	0	333.300	1.961	40	5		EDBBRM
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CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000004299164	440914232	/nfs/dbraw/zinc/91/42/32/440914232.db2.gz	GDXDSHGVWARKQX-QWRGUYRKSA-N	-1	0	326.305	1.606	40	5		EDBBRM
CC1=CC[C@@H]2C(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	ZINC000408681700	250307124	/nfs/dbraw/zinc/30/71/24/250307124.db2.gz	IGQSLEMLRBJTGM-JQWIXIFHSA-N	-1	0	329.312	1.581	40	5		EDBBRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000004299285	210163544	/nfs/dbraw/zinc/16/35/44/210163544.db2.gz	JHJOGYYIDLAMQW-GHMZBOCLSA-N	-1	0	326.305	1.606	40	5		EDBBRM
CC(=O)N[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000016321006	441218658	/nfs/dbraw/zinc/21/86/58/441218658.db2.gz	DKCMLZRPNSABAR-MRVPVSSYSA-N	-1	0	329.290	1.184	40	5		EDBBRM
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])N(C)C1=S	ZINC000409029806	447681601	/nfs/dbraw/zinc/68/16/01/447681601.db2.gz	BOESZPWXYSDXIV-POHAHGRESA-N	-1	0	337.357	1.729	40	5		EDBBRM
Nn1c(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])nnc1C(F)(F)F	ZINC000078406523	303506823	/nfs/dbraw/zinc/50/68/23/303506823.db2.gz	KUDOVCLJQVWOGZ-UHFFFAOYSA-N	-1	0	349.250	1.768	40	5		EDBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC	ZINC000033458942	441595650	/nfs/dbraw/zinc/59/56/50/441595650.db2.gz	QMOUSJIWVAWPNM-XQRVVYSFSA-N	-1	0	333.300	1.961	40	5		EDBBRM
O=[N+]([O-])c1nc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n[n-]1	ZINC000001084524	440838947	/nfs/dbraw/zinc/83/89/47/440838947.db2.gz	HTVOHZOMTWQRCW-UHFFFAOYSA-N	-1	0	337.144	1.994	40	5		EDBBRM
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CCOC(=O)C1=NN(c2cc([N+](=O)[O-])ccc2Cl)[C@H](C(=O)[O-])C1	ZINC000071979281	441202247	/nfs/dbraw/zinc/20/22/47/441202247.db2.gz	HNIHOVWSWKHTIQ-NSHDSACASA-N	-1	0	341.707	1.831	40	5		EDBBRM