smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc21	ZINC000015327544	563017826	/nfs/dbraw/zinc/01/78/26/563017826.db2.gz	XJQNIUJLPVSAAN-UHFFFAOYSA-N	0	0	430.486	2.015	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164698050	719840502	/nfs/dbraw/zinc/84/05/02/719840502.db2.gz	DQKGNJJZNBKYGH-GUYCJALGSA-N	0	0	448.854	2.421	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21	ZINC001164705326	719847596	/nfs/dbraw/zinc/84/75/96/719847596.db2.gz	VCGMTPIHFROHDT-JLTOFOAXSA-N	0	0	449.895	2.424	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164706555	719848909	/nfs/dbraw/zinc/84/89/09/719848909.db2.gz	XOTJWIQUCDWPOX-SJCJKPOMSA-N	0	0	448.854	2.421	20	5		IEBDRN
O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21)N1CCCCO1	ZINC001164707037	719911761	/nfs/dbraw/zinc/91/17/61/719911761.db2.gz	MQVYORXRHGCBRI-FPMFFAJLSA-N	0	0	446.838	2.441	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1	ZINC001164726103	720318393	/nfs/dbraw/zinc/31/83/93/720318393.db2.gz	XWGDEJWOJQHVHQ-GZBFAFLISA-N	0	0	448.854	2.419	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1	ZINC001164726106	720318498	/nfs/dbraw/zinc/31/84/98/720318498.db2.gz	XWGDEJWOJQHVHQ-KCQAQPDRSA-N	0	0	448.854	2.419	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1	ZINC001164725035	720319964	/nfs/dbraw/zinc/31/99/64/720319964.db2.gz	VEBJQJNDOTVUQH-SGMGOOAPSA-N	0	0	448.854	2.419	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1	ZINC001164725017	720320261	/nfs/dbraw/zinc/32/02/61/720320261.db2.gz	UTNMTFJUMVPVHF-CFVMTHIKSA-N	0	0	448.854	2.419	20	5		IEBDRN
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721700	720336676	/nfs/dbraw/zinc/33/66/76/720336676.db2.gz	DAZUKTBNPQFEDC-KGLIPLIRSA-N	0	0	432.868	2.463	20	5		IEBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164737103	720667277	/nfs/dbraw/zinc/66/72/77/720667277.db2.gz	DIAWNDOLILVHCO-OLZOCXBDSA-N	0	0	426.811	2.320	20	5		IEBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164737104	720667378	/nfs/dbraw/zinc/66/73/78/720667378.db2.gz	DIAWNDOLILVHCO-QWHCGFSZSA-N	0	0	426.811	2.320	20	5		IEBDRN
O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1)N1CCCO1	ZINC001164850712	720818987	/nfs/dbraw/zinc/81/89/87/720818987.db2.gz	UXOZVOQSBZUEHO-RTXFEEFZSA-N	0	0	432.811	2.478	20	5		IEBDRN
CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001165020832	721786212	/nfs/dbraw/zinc/78/62/12/721786212.db2.gz	LSGBIIQEMFWDAN-KRWDZBQOSA-N	0	0	448.854	2.278	20	5		IEBDRN
CC(C)Oc1nc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)ccc1[N+](=O)[O-]	ZINC001164913745	721796064	/nfs/dbraw/zinc/79/60/64/721796064.db2.gz	GSKHKJUKOUXGNV-QFIPXVFZSA-N	0	0	443.504	2.280	20	5		IEBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4ncc([N+](=O)[O-])c(C)c4C)CCO3)C2)cs1	ZINC001164923546	721829113	/nfs/dbraw/zinc/82/91/13/721829113.db2.gz	SEIZEJRIVXJZSV-FQEVSTJZSA-N	0	0	433.534	2.479	20	5		IEBDRN
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)n1	ZINC001164942729	721937655	/nfs/dbraw/zinc/93/76/55/721937655.db2.gz	MSTIOGWALNYHQS-STQMWFEESA-N	0	0	440.913	2.455	20	5		IEBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001164941531	721940559	/nfs/dbraw/zinc/94/05/59/721940559.db2.gz	IEXWYCNHWYZLHS-NEPJUHHUSA-N	0	0	429.264	2.386	20	5		IEBDRN
CSc1nc(Cl)nc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164940571	721948108	/nfs/dbraw/zinc/94/81/08/721948108.db2.gz	BWTIMLOHWPXQDM-CHWSQXEVSA-N	0	0	440.913	2.455	20	5		IEBDRN
CCOc1nc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)ccc1[N+](=O)[O-]	ZINC001164946794	721977198	/nfs/dbraw/zinc/97/71/98/721977198.db2.gz	KYCMFQKXQPBTAA-UHFFFAOYSA-N	0	0	425.489	2.360	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]2COC[C@H]12	ZINC001164955966	722035899	/nfs/dbraw/zinc/03/58/99/722035899.db2.gz	AIVYNBCLTKUPCV-LALPHHSUSA-N	0	0	441.822	2.160	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@H]2COC[C@@H]21	ZINC001164962403	722036487	/nfs/dbraw/zinc/03/64/87/722036487.db2.gz	NKWSNPWEHBPFDB-GYSYKLTISA-N	0	0	441.822	2.160	20	5		IEBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1	ZINC001164983022	722176204	/nfs/dbraw/zinc/17/62/04/722176204.db2.gz	AZXCDPSFRGCPGS-QZTJIDSGSA-N	0	0	447.517	2.411	20	5		IEBDRN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1	ZINC001165005356	722261913	/nfs/dbraw/zinc/26/19/13/722261913.db2.gz	VZFKOHKXHVDFSA-IBGZPJMESA-N	0	0	434.859	2.413	20	5		IEBDRN
CNC(=O)CO[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164678736	719549697	/nfs/dbraw/zinc/54/96/97/719549697.db2.gz	MUKMMDFEVMWSOA-NSHDSACASA-N	0	0	434.827	2.079	20	5		IEBDRN
O=[N+]([O-])c1ccc(N2CCn3c(CN4CCOCC4)nnc3C2)nc1-c1ccc(F)cc1	ZINC001164683600	719591250	/nfs/dbraw/zinc/59/12/50/719591250.db2.gz	GUIBIYYSOWSGKD-UHFFFAOYSA-N	0	0	439.451	2.240	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1	ZINC001164706820	719872266	/nfs/dbraw/zinc/87/22/66/719872266.db2.gz	QRFQGVAZZKRBTF-OPAMFIHVSA-N	0	0	441.488	2.285	20	5		IEBDRN
O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21)N1CCCCO1	ZINC001164707535	719913808	/nfs/dbraw/zinc/91/38/08/719913808.db2.gz	SSYGRDORUXXQIG-JHJVBQTASA-N	0	0	446.838	2.441	20	5		IEBDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1	ZINC001164718373	720242558	/nfs/dbraw/zinc/24/25/58/720242558.db2.gz	FNMMOZUWPYONQU-OAQYLSRUSA-N	0	0	447.923	2.461	20	5		IEBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl	ZINC001164740283	720618770	/nfs/dbraw/zinc/61/87/70/720618770.db2.gz	IJYBOMFJBHENGW-STQMWFEESA-N	0	0	426.811	2.320	20	5		IEBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164738231	720654164	/nfs/dbraw/zinc/65/41/64/720654164.db2.gz	AZIJOEHFQYHRKY-NWDGAFQWSA-N	0	0	426.811	2.320	20	5		IEBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164737102	720668586	/nfs/dbraw/zinc/66/85/86/720668586.db2.gz	DIAWNDOLILVHCO-CHWSQXEVSA-N	0	0	426.811	2.320	20	5		IEBDRN
O=C([C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1)N1CCCO1	ZINC001164850707	720819243	/nfs/dbraw/zinc/81/92/43/720819243.db2.gz	UXOZVOQSBZUEHO-DRZSPHRISA-N	0	0	432.811	2.478	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21	ZINC001164757612	720989722	/nfs/dbraw/zinc/98/97/22/720989722.db2.gz	PMCSZADWRIRQIW-JKOKRWQUSA-N	0	0	433.843	2.301	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)cn1	ZINC001164759930	721035300	/nfs/dbraw/zinc/03/53/00/721035300.db2.gz	AXHUEIUINMJYFM-KBPBESRZSA-N	0	0	426.811	2.415	20	5		IEBDRN
Cc1ccc(N2CCO[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]32)nn1	ZINC001164775369	721309977	/nfs/dbraw/zinc/30/99/77/721309977.db2.gz	CTGWBMKFHZHKNL-UONOGXRCSA-N	0	0	426.811	2.381	20	5		IEBDRN
Cc1cc(Cl)nc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1[N+](=O)[O-]	ZINC001164913316	721777256	/nfs/dbraw/zinc/77/72/56/721777256.db2.gz	WKQLWTQWDYXJFJ-FQEVSTJZSA-N	0	0	433.896	2.454	20	5		IEBDRN
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)c21	ZINC001164913493	721799213	/nfs/dbraw/zinc/79/92/13/721799213.db2.gz	DTZGVDLYRKQHLU-JOCHJYFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)c2ncc(C)n2CCN3C)c1[N+](=O)[O-]	ZINC001164919575	721812487	/nfs/dbraw/zinc/81/24/87/721812487.db2.gz	ZMTSSJYEDORYJQ-UHFFFAOYSA-N	0	0	449.899	2.161	20	5		IEBDRN
COc1cc(OC)nc(CN2CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)n1	ZINC001165030612	721846779	/nfs/dbraw/zinc/84/67/79/721846779.db2.gz	QYNXFHCIVWEKKM-UHFFFAOYSA-N	0	0	445.867	2.321	20	5		IEBDRN
COc1cc(OC)nc(CN2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)n1	ZINC001165028769	721847079	/nfs/dbraw/zinc/84/70/79/721847079.db2.gz	CQYNHIQEIPWGGA-UHFFFAOYSA-N	0	0	444.826	2.318	20	5		IEBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)C[C@@H]21	ZINC001164948660	721955445	/nfs/dbraw/zinc/95/54/45/721955445.db2.gz	SJYIEOAIJHETMV-MNVMYWNISA-N	0	0	428.493	2.217	20	5		IEBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)C[C@H]21	ZINC001164948658	721955463	/nfs/dbraw/zinc/95/54/63/721955463.db2.gz	SJYIEOAIJHETMV-BGEOSOQGSA-N	0	0	428.493	2.217	20	5		IEBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1	ZINC001164990080	722186697	/nfs/dbraw/zinc/18/66/97/722186697.db2.gz	PXKJSZGQCVRJMW-FUHWJXTLSA-N	0	0	447.517	2.411	20	5		IEBDRN
COc1cc2nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc(N)c2cc1OC	ZINC000028389644	563054362	/nfs/dbraw/zinc/05/43/62/563054362.db2.gz	HNRYLULPSRAARA-UHFFFAOYSA-N	0	0	438.444	2.100	20	5		IEBDRN
COCCN1CCN(C)C2(CCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC2)C1=O	ZINC001164633890	719270636	/nfs/dbraw/zinc/27/06/36/719270636.db2.gz	JJVUNXKAQYWUFC-UHFFFAOYSA-N	0	0	427.505	2.211	20	5		IEBDRN
COCCN1CCN(C)C2(CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)C1=O	ZINC001164637065	719273026	/nfs/dbraw/zinc/27/30/26/719273026.db2.gz	ZZBXMSDZGVSVIP-UHFFFAOYSA-N	0	0	432.308	2.056	20	5		IEBDRN
O=[N+]([O-])c1c(Cl)ccc2nc(N3CCn4c(CN5CCOCC5)nnc4C3)ccc21	ZINC001164678555	719581032	/nfs/dbraw/zinc/58/10/32/719581032.db2.gz	ORBGOVRKJIWYMR-UHFFFAOYSA-N	0	0	429.868	2.240	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164707063	719846071	/nfs/dbraw/zinc/84/60/71/719846071.db2.gz	ZANZXFPMDDHRIB-YVEFUNNKSA-N	0	0	448.854	2.421	20	5		IEBDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1	ZINC001164719752	720227074	/nfs/dbraw/zinc/22/70/74/720227074.db2.gz	TYDBWDGRNXHBJZ-JOCHJYFZSA-N	0	0	427.505	2.116	20	5		IEBDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1	ZINC001164720753	720287004	/nfs/dbraw/zinc/28/70/04/720287004.db2.gz	CXQNBTHOOBOATM-OAQYLSRUSA-N	0	0	447.923	2.461	20	5		IEBDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1	ZINC001164720752	720288389	/nfs/dbraw/zinc/28/83/89/720288389.db2.gz	CXQNBTHOOBOATM-NRFANRHFSA-N	0	0	447.923	2.461	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1	ZINC001164726110	720318429	/nfs/dbraw/zinc/31/84/29/720318429.db2.gz	XWGDEJWOJQHVHQ-YDHLFZDLSA-N	0	0	448.854	2.419	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1	ZINC001164725019	720320539	/nfs/dbraw/zinc/32/05/39/720320539.db2.gz	UTNMTFJUMVPVHF-QEJZJMRPSA-N	0	0	448.854	2.419	20	5		IEBDRN
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721698	720335899	/nfs/dbraw/zinc/33/58/99/720335899.db2.gz	DAZUKTBNPQFEDC-KBPBESRZSA-N	0	0	432.868	2.463	20	5		IEBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl	ZINC001164740281	720618293	/nfs/dbraw/zinc/61/82/93/720618293.db2.gz	IJYBOMFJBHENGW-OLZOCXBDSA-N	0	0	426.811	2.320	20	5		IEBDRN
O=C([C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1)N1CCCO1	ZINC001164850716	720818968	/nfs/dbraw/zinc/81/89/68/720818968.db2.gz	UXOZVOQSBZUEHO-UHTWSYAYSA-N	0	0	432.811	2.478	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]12	ZINC001164757533	720987517	/nfs/dbraw/zinc/98/75/17/720987517.db2.gz	OTFGXNZDBNMQDK-QKCSRTOESA-N	0	0	433.843	2.301	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]12	ZINC001164755589	720990388	/nfs/dbraw/zinc/99/03/88/720990388.db2.gz	AXNQIMWIHTYVAI-MDZLAQPJSA-N	0	0	433.843	2.301	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)cn1	ZINC001164769363	721034439	/nfs/dbraw/zinc/03/44/39/721034439.db2.gz	WIEKQCPHNUHACY-VXGBXAGGSA-N	0	0	426.811	2.415	20	5		IEBDRN
Cc1ccc(N2CCO[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]32)nn1	ZINC001164778102	721309956	/nfs/dbraw/zinc/30/99/56/721309956.db2.gz	WFNMRPXKMSZPOV-OLZOCXBDSA-N	0	0	426.811	2.381	20	5		IEBDRN
Cc1ccc(N2CCO[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]32)nn1	ZINC001164775368	721310041	/nfs/dbraw/zinc/31/00/41/721310041.db2.gz	CTGWBMKFHZHKNL-KGLIPLIRSA-N	0	0	426.811	2.381	20	5		IEBDRN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCC23CCN(CC(=O)N(C)C)CC3)n1	ZINC001165007453	721732105	/nfs/dbraw/zinc/73/21/05/721732105.db2.gz	CXQWUDQBSHIOCY-UHFFFAOYSA-N	0	0	428.946	2.283	20	5		IEBDRN
O=[N+]([O-])c1ccc2ncc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)nc2c1	ZINC001164912886	721771822	/nfs/dbraw/zinc/77/18/22/721771822.db2.gz	RENYJNHTTIOXIW-QFIPXVFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
COc1cc(C)nc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)c1[N+](=O)[O-]	ZINC001164926458	721827144	/nfs/dbraw/zinc/82/71/44/721827144.db2.gz	XCXNXSXMUHOZPD-FQEVSTJZSA-N	0	0	449.533	2.180	20	5		IEBDRN
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)n1	ZINC001164942726	721937526	/nfs/dbraw/zinc/93/75/26/721937526.db2.gz	MSTIOGWALNYHQS-OLZOCXBDSA-N	0	0	440.913	2.455	20	5		IEBDRN
Cc1nc(Cl)nc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)c1[N+](=O)[O-]	ZINC001164946337	721969178	/nfs/dbraw/zinc/96/91/78/721969178.db2.gz	NJGXNOWMVNCHMZ-UHFFFAOYSA-N	0	0	430.896	2.318	20	5		IEBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1	ZINC001164990078	722186635	/nfs/dbraw/zinc/18/66/35/722186635.db2.gz	PXKJSZGQCVRJMW-AEFFLSMTSA-N	0	0	447.517	2.411	20	5		IEBDRN
CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164988866	722190037	/nfs/dbraw/zinc/19/00/37/722190037.db2.gz	LDSAACYGCITOLJ-UHFFFAOYSA-N	0	0	443.842	2.462	20	5		IEBDRN
Cc1nc(Cl)nc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1[N+](=O)[O-]	ZINC001165005769	722260240	/nfs/dbraw/zinc/26/02/40/722260240.db2.gz	ZVRBOPKZBNJVGZ-IBGZPJMESA-N	0	0	434.859	2.413	20	5		IEBDRN
COc1cc(C)nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1[N+](=O)[O-]	ZINC001165008212	722263849	/nfs/dbraw/zinc/26/38/49/722263849.db2.gz	VVORZZSQGNUNBA-OAQYLSRUSA-N	0	0	429.452	2.373	20	5		IEBDRN
COc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc(OC)c1[N+](=O)[O-]	ZINC001164673168	719508861	/nfs/dbraw/zinc/50/88/61/719508861.db2.gz	OXOZFZMUPKVDQW-UHFFFAOYSA-N	0	0	447.467	2.413	20	5		IEBDRN
CNC(=O)CO[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164677409	719548984	/nfs/dbraw/zinc/54/89/84/719548984.db2.gz	DQFRKSOLCPUMGC-LBPRGKRZSA-N	0	0	434.827	2.079	20	5		IEBDRN
CNC(=O)CO[C@@H]1COC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164676611	719549671	/nfs/dbraw/zinc/54/96/71/719549671.db2.gz	CTEHTVGXFLYWIP-LBPRGKRZSA-N	0	0	434.827	2.079	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-]	ZINC001164703310	719847506	/nfs/dbraw/zinc/84/75/06/719847506.db2.gz	QFMMMUJBTUILIQ-ZUOKHONESA-N	0	0	449.895	2.424	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21	ZINC001164705327	719847734	/nfs/dbraw/zinc/84/77/34/719847734.db2.gz	VCGMTPIHFROHDT-VBKZILBWSA-N	0	0	449.895	2.424	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1	ZINC001164706823	719872136	/nfs/dbraw/zinc/87/21/36/719872136.db2.gz	QRFQGVAZZKRBTF-ZHRRBRCNSA-N	0	0	441.488	2.285	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1	ZINC001164706818	719872280	/nfs/dbraw/zinc/87/22/80/719872280.db2.gz	QRFQGVAZZKRBTF-KSFYIVLOSA-N	0	0	441.488	2.285	20	5		IEBDRN
Cc1nc(CN2CCN(C)C3(CCN(c4ncc([N+](=O)[O-])cc4C)CC3)C2=O)cs1	ZINC001164826514	720358837	/nfs/dbraw/zinc/35/88/37/720358837.db2.gz	WOGCANOOACGKDY-UHFFFAOYSA-N	0	0	430.534	2.376	20	5		IEBDRN
O=C([C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1)N1CCCO1	ZINC001164851387	720817948	/nfs/dbraw/zinc/81/79/48/720817948.db2.gz	LASGEFHMZYBJPI-YUTCNCBUSA-N	0	0	432.811	2.478	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21	ZINC001164755587	720990853	/nfs/dbraw/zinc/99/08/53/720990853.db2.gz	AXNQIMWIHTYVAI-LOWVWBTDSA-N	0	0	433.843	2.301	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)cn1	ZINC001164765291	721033471	/nfs/dbraw/zinc/03/34/71/721033471.db2.gz	OUUGZECRPGFGOR-OLZOCXBDSA-N	0	0	426.811	2.415	20	5		IEBDRN
Cc1ccc(N2CCO[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]32)nn1	ZINC001164778103	721310066	/nfs/dbraw/zinc/31/00/66/721310066.db2.gz	WFNMRPXKMSZPOV-QWHCGFSZSA-N	0	0	426.811	2.381	20	5		IEBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164801450	721532446	/nfs/dbraw/zinc/53/24/46/721532446.db2.gz	FKFMEGNKXQVXDW-FHWLQOOXSA-N	0	0	427.461	2.040	20	5		IEBDRN
COC(=O)c1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164806296	721560555	/nfs/dbraw/zinc/56/05/55/721560555.db2.gz	PQTWHVUTBCDGMG-AOIWGVFYSA-N	0	0	427.461	2.040	20	5		IEBDRN
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164803964	721566734	/nfs/dbraw/zinc/56/67/34/721566734.db2.gz	KDLLPUZXLOOHAK-AABGKKOBSA-N	0	0	441.488	2.430	20	5		IEBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164803358	721591153	/nfs/dbraw/zinc/59/11/53/721591153.db2.gz	HQHTXFNTQIUAHO-YTQUADARSA-N	0	0	427.461	2.040	20	5		IEBDRN
COc1cc(OC)nc(CN2CCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC2)n1	ZINC001165030012	721846701	/nfs/dbraw/zinc/84/67/01/721846701.db2.gz	KYLBXECKXYXHRV-UHFFFAOYSA-N	0	0	445.867	2.321	20	5		IEBDRN
CN(C)/C=C/c1cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)ncc1[N+](=O)[O-]	ZINC001164936772	721907823	/nfs/dbraw/zinc/90/78/23/721907823.db2.gz	VNEBRBUSNYOHTM-XBXARRHUSA-N	0	0	441.536	2.127	20	5		IEBDRN
CSc1nc(Cl)nc(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)c1[N+](=O)[O-]	ZINC001164940579	721948422	/nfs/dbraw/zinc/94/84/22/721948422.db2.gz	BWTIMLOHWPXQDM-STQMWFEESA-N	0	0	440.913	2.455	20	5		IEBDRN
COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1	ZINC001164991724	722181766	/nfs/dbraw/zinc/18/17/66/722181766.db2.gz	QTZORRYCRAKVEH-JKSUJKDBSA-N	0	0	434.522	2.337	20	5		IEBDRN
CN1CCN(c2ncnc3c2CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC3)CC1	ZINC001164996627	722232840	/nfs/dbraw/zinc/23/28/40/722232840.db2.gz	HIJKTZXWYYMWLL-UHFFFAOYSA-N	0	0	438.319	2.444	20	5		IEBDRN
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCn2c(CN3CCOCC3)nnc2C1	ZINC001164678641	719576046	/nfs/dbraw/zinc/57/60/46/719576046.db2.gz	RDPRQTJGGUTVBT-UHFFFAOYSA-N	0	0	429.868	2.240	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164706557	719849153	/nfs/dbraw/zinc/84/91/53/719849153.db2.gz	XOTJWIQUCDWPOX-SJKOYZFVSA-N	0	0	448.854	2.421	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1	ZINC001164725032	720319870	/nfs/dbraw/zinc/31/98/70/720319870.db2.gz	VEBJQJNDOTVUQH-OBJOEFQTSA-N	0	0	448.854	2.419	20	5		IEBDRN
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721701	720335779	/nfs/dbraw/zinc/33/57/79/720335779.db2.gz	DAZUKTBNPQFEDC-UONOGXRCSA-N	0	0	432.868	2.463	20	5		IEBDRN
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721702	720336893	/nfs/dbraw/zinc/33/68/93/720336893.db2.gz	DAZUKTBNPQFEDC-ZIAGYGMSSA-N	0	0	432.868	2.463	20	5		IEBDRN
CC(=O)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164829721	720413426	/nfs/dbraw/zinc/41/34/26/720413426.db2.gz	ODGUMTHTFLMDIW-UHFFFAOYSA-N	0	0	429.815	2.168	20	5		IEBDRN
O=C([C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1)N1CCCO1	ZINC001164849025	720819139	/nfs/dbraw/zinc/81/91/39/720819139.db2.gz	NZTYUGYVSUIOTJ-MJBXVCDLSA-N	0	0	432.811	2.478	20	5		IEBDRN
O=C([C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1)N1CCCO1	ZINC001164849026	720819231	/nfs/dbraw/zinc/81/92/31/720819231.db2.gz	NZTYUGYVSUIOTJ-RDBSUJKOSA-N	0	0	432.811	2.478	20	5		IEBDRN
Cc1ccc(N2CCO[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]32)nn1	ZINC001164775370	721310566	/nfs/dbraw/zinc/31/05/66/721310566.db2.gz	CTGWBMKFHZHKNL-ZIAGYGMSSA-N	0	0	426.811	2.381	20	5		IEBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C2)C1	ZINC001164779909	721357430	/nfs/dbraw/zinc/35/74/30/721357430.db2.gz	AFVATUJXSOIGLW-OAQYLSRUSA-N	0	0	431.493	2.260	20	5		IEBDRN
COC(=O)c1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c([N+](=O)[O-])c1	ZINC001164809448	721543166	/nfs/dbraw/zinc/54/31/66/721543166.db2.gz	USZJGJUCYHVHHI-NZSAHSFTSA-N	0	0	427.461	2.040	20	5		IEBDRN
CCOC(=O)c1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164805611	721587684	/nfs/dbraw/zinc/58/76/84/721587684.db2.gz	LFOGJBYIYKIHRQ-HBFSDRIKSA-N	0	0	441.488	2.430	20	5		IEBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)CCO3)C2)cs1	ZINC001164922990	721830395	/nfs/dbraw/zinc/83/03/95/721830395.db2.gz	PZHNOYFHEGQKMD-HXUWFJFHSA-N	0	0	444.517	2.344	20	5		IEBDRN
COC(=O)c1ccnc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1[N+](=O)[O-]	ZINC001164991163	722183333	/nfs/dbraw/zinc/18/33/33/722183333.db2.gz	OVXSZVSOXJRYTQ-IRXDYDNUSA-N	0	0	447.517	2.411	20	5		IEBDRN
CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164988017	722190144	/nfs/dbraw/zinc/19/01/44/722190144.db2.gz	CZMQYEDTASNVJK-UHFFFAOYSA-N	0	0	443.842	2.462	20	5		IEBDRN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1	ZINC001165005358	722261979	/nfs/dbraw/zinc/26/19/79/722261979.db2.gz	VZFKOHKXHVDFSA-LJQANCHMSA-N	0	0	434.859	2.413	20	5		IEBDRN
COc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-]	ZINC001123268147	939817707	/nfs/dbraw/zinc/81/77/07/939817707.db2.gz	OAZMCRFBYXMISO-JOCHJYFZSA-N	0	0	427.457	2.382	20	5		IEBDRN
COc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-]	ZINC001123268148	939818044	/nfs/dbraw/zinc/81/80/44/939818044.db2.gz	OAZMCRFBYXMISO-QFIPXVFZSA-N	0	0	427.457	2.382	20	5		IEBDRN
CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-]	ZINC000095605514	563193961	/nfs/dbraw/zinc/19/39/61/563193961.db2.gz	OSBGWEUGEPMBFO-UHFFFAOYSA-N	0	0	431.470	2.051	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21	ZINC001164705328	719847620	/nfs/dbraw/zinc/84/76/20/719847620.db2.gz	VCGMTPIHFROHDT-VLIAUNLRSA-N	0	0	449.895	2.424	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1	ZINC001164707980	719867555	/nfs/dbraw/zinc/86/75/55/719867555.db2.gz	XAZHAQNSKVRYQP-GCJKJVERSA-N	0	0	441.488	2.285	20	5		IEBDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1	ZINC001164720639	720261073	/nfs/dbraw/zinc/26/10/73/720261073.db2.gz	ZIUOFQPKPVULLM-NRFANRHFSA-N	0	0	447.923	2.461	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21	ZINC001164757531	720986728	/nfs/dbraw/zinc/98/67/28/720986728.db2.gz	OTFGXNZDBNMQDK-JKOKRWQUSA-N	0	0	433.843	2.301	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21	ZINC001164757534	720987641	/nfs/dbraw/zinc/98/76/41/720987641.db2.gz	OTFGXNZDBNMQDK-SUHUHFCYSA-N	0	0	433.843	2.301	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]12	ZINC001164757615	720989880	/nfs/dbraw/zinc/98/98/80/720989880.db2.gz	PMCSZADWRIRQIW-QKCSRTOESA-N	0	0	433.843	2.301	20	5		IEBDRN
COc1ncnc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1[N+](=O)[O-]	ZINC001164776797	721350410	/nfs/dbraw/zinc/35/04/10/721350410.db2.gz	CWNDRIOMUTUTFZ-HXUWFJFHSA-N	0	0	432.481	2.117	20	5		IEBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C2)C1	ZINC001164779907	721357378	/nfs/dbraw/zinc/35/73/78/721357378.db2.gz	AFVATUJXSOIGLW-NRFANRHFSA-N	0	0	431.493	2.260	20	5		IEBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164801446	721531506	/nfs/dbraw/zinc/53/15/06/721531506.db2.gz	FKFMEGNKXQVXDW-CEXWTWQISA-N	0	0	427.461	2.040	20	5		IEBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164803352	721591150	/nfs/dbraw/zinc/59/11/50/721591150.db2.gz	HQHTXFNTQIUAHO-NEWSRXKRSA-N	0	0	427.461	2.040	20	5		IEBDRN
CSc1nc(Cl)nc(N2CCCC23CCN(CC(=O)N(C)C)CC3)c1[N+](=O)[O-]	ZINC001165010193	721739402	/nfs/dbraw/zinc/73/94/02/721739402.db2.gz	FZPUVPZSIWSHDT-UHFFFAOYSA-N	0	0	428.946	2.283	20	5		IEBDRN
Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)n1	ZINC001164912463	721778374	/nfs/dbraw/zinc/77/83/74/721778374.db2.gz	MCQANRZVGKPMCP-HXUWFJFHSA-N	0	0	433.896	2.454	20	5		IEBDRN
CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001165019219	721786893	/nfs/dbraw/zinc/78/68/93/721786893.db2.gz	JYCWRMSUAKGKIS-QGZVFWFLSA-N	0	0	448.854	2.278	20	5		IEBDRN
COc1cc(OC)nc(CN2CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)n1	ZINC001165030577	721847668	/nfs/dbraw/zinc/84/76/68/721847668.db2.gz	PYVFDPMZWCMVLC-UHFFFAOYSA-N	0	0	429.264	2.426	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]2COC[C@@H]12	ZINC001164955967	722036041	/nfs/dbraw/zinc/03/60/41/722036041.db2.gz	AIVYNBCLTKUPCV-YWPYICTPSA-N	0	0	441.822	2.160	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@H]2COC[C@H]21	ZINC001164962409	722036489	/nfs/dbraw/zinc/03/64/89/722036489.db2.gz	NKWSNPWEHBPFDB-WDMOLILDSA-N	0	0	441.822	2.160	20	5		IEBDRN
COC(=O)c1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c([N+](=O)[O-])c1	ZINC001164991576	722179197	/nfs/dbraw/zinc/17/91/97/722179197.db2.gz	XUDYYSQIDYYYGD-SJLPKXTDSA-N	0	0	447.517	2.411	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-]	ZINC001164703308	719847766	/nfs/dbraw/zinc/84/77/66/719847766.db2.gz	QFMMMUJBTUILIQ-RNODOKPDSA-N	0	0	449.895	2.424	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1	ZINC001164725018	720320651	/nfs/dbraw/zinc/32/06/51/720320651.db2.gz	UTNMTFJUMVPVHF-NWANDNLSSA-N	0	0	448.854	2.419	20	5		IEBDRN
Cc1nc(CN2CCN(C)C3(CCN(c4ncc(C)cc4[N+](=O)[O-])CC3)C2=O)cs1	ZINC001164825641	720359795	/nfs/dbraw/zinc/35/97/95/720359795.db2.gz	SFDYJPKTBIOFLX-UHFFFAOYSA-N	0	0	430.534	2.376	20	5		IEBDRN
COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)ccc1[N+](=O)[O-]	ZINC001164823227	720363204	/nfs/dbraw/zinc/36/32/04/720363204.db2.gz	CKGVBEGBBRLRFF-UHFFFAOYSA-N	0	0	446.533	2.077	20	5		IEBDRN
COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)ncc1[N+](=O)[O-]	ZINC001164825489	720366922	/nfs/dbraw/zinc/36/69/22/720366922.db2.gz	PRDNLHGJUCSREW-UHFFFAOYSA-N	0	0	446.533	2.077	20	5		IEBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl	ZINC001164740282	720617528	/nfs/dbraw/zinc/61/75/28/720617528.db2.gz	IJYBOMFJBHENGW-QWHCGFSZSA-N	0	0	426.811	2.320	20	5		IEBDRN
O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1)N1CCCO1	ZINC001164849024	720818904	/nfs/dbraw/zinc/81/89/04/720818904.db2.gz	NZTYUGYVSUIOTJ-MCIONIFRSA-N	0	0	432.811	2.478	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)cn1	ZINC001164765299	721033010	/nfs/dbraw/zinc/03/30/10/721033010.db2.gz	OUUGZECRPGFGOR-STQMWFEESA-N	0	0	426.811	2.415	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)cn1	ZINC001164765295	721033292	/nfs/dbraw/zinc/03/32/92/721033292.db2.gz	OUUGZECRPGFGOR-QWHCGFSZSA-N	0	0	426.811	2.415	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)cn1	ZINC001164759931	721035119	/nfs/dbraw/zinc/03/51/19/721035119.db2.gz	AXHUEIUINMJYFM-KGLIPLIRSA-N	0	0	426.811	2.415	20	5		IEBDRN
COC(=O)c1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1	ZINC001164809451	721543131	/nfs/dbraw/zinc/54/31/31/721543131.db2.gz	USZJGJUCYHVHHI-WDSOQIARSA-N	0	0	427.461	2.040	20	5		IEBDRN
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164803967	721566517	/nfs/dbraw/zinc/56/65/17/721566517.db2.gz	KDLLPUZXLOOHAK-UFYCRDLUSA-N	0	0	441.488	2.430	20	5		IEBDRN
O=[N+]([O-])c1ccc2nc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)cnc2c1	ZINC001164910324	721773637	/nfs/dbraw/zinc/77/36/37/721773637.db2.gz	BDYKEXBJRCOREU-QFIPXVFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
Cc1cc([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1Cl	ZINC001164910211	721777115	/nfs/dbraw/zinc/77/71/15/721777115.db2.gz	ASRUGTFTFKTYJG-FQEVSTJZSA-N	0	0	433.896	2.454	20	5		IEBDRN
Cc1cc([N+](=O)[O-])c(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc1Cl	ZINC001164910230	721777223	/nfs/dbraw/zinc/77/72/23/721777223.db2.gz	ASRUGTFTFKTYJG-HXUWFJFHSA-N	0	0	433.896	2.454	20	5		IEBDRN
Cn1ccc(CN2CCOCC23CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC3)n1	ZINC001164933900	721903970	/nfs/dbraw/zinc/90/39/70/721903970.db2.gz	UEILZGOZRBSQIO-UHFFFAOYSA-N	0	0	442.307	2.297	20	5		IEBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001164941534	721940334	/nfs/dbraw/zinc/94/03/34/721940334.db2.gz	IEXWYCNHWYZLHS-RYUDHWBXSA-N	0	0	429.264	2.386	20	5		IEBDRN
COC(=O)c1cnc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c([N+](=O)[O-])c1	ZINC001164991577	722179169	/nfs/dbraw/zinc/17/91/69/722179169.db2.gz	XUDYYSQIDYYYGD-WMZOPIPTSA-N	0	0	447.517	2.411	20	5		IEBDRN
COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1	ZINC001164991721	722181781	/nfs/dbraw/zinc/18/17/81/722181781.db2.gz	QTZORRYCRAKVEH-HOTGVXAUSA-N	0	0	434.522	2.337	20	5		IEBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)n1	ZINC001164990081	722186655	/nfs/dbraw/zinc/18/66/55/722186655.db2.gz	PXKJSZGQCVRJMW-SJLPKXTDSA-N	0	0	447.517	2.411	20	5		IEBDRN
CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-]	ZINC000095602502	563193209	/nfs/dbraw/zinc/19/32/09/563193209.db2.gz	ZIJDCZUEDKMDSU-UHFFFAOYSA-N	0	0	431.470	2.098	20	5		IEBDRN
CN(C)C(=O)COCc1noc2c1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164659840	719341112	/nfs/dbraw/zinc/34/11/12/719341112.db2.gz	FVBBDAKCMZJJRB-UHFFFAOYSA-N	0	0	445.810	2.344	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21	ZINC001164704885	719879526	/nfs/dbraw/zinc/87/95/26/719879526.db2.gz	WXPQIVJOPZRLTL-RNODOKPDSA-N	0	0	449.895	2.424	20	5		IEBDRN
O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21)N1CCCCO1	ZINC001164706462	719914860	/nfs/dbraw/zinc/91/48/60/719914860.db2.gz	IOPBZFGODPTNIB-FPMFFAJLSA-N	0	0	446.838	2.441	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)cn1	ZINC001164769358	721034495	/nfs/dbraw/zinc/03/44/95/721034495.db2.gz	WIEKQCPHNUHACY-RYUDHWBXSA-N	0	0	426.811	2.415	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)cn1	ZINC001164759933	721035200	/nfs/dbraw/zinc/03/52/00/721035200.db2.gz	AXHUEIUINMJYFM-ZIAGYGMSSA-N	0	0	426.811	2.415	20	5		IEBDRN
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2	ZINC001164912967	721779898	/nfs/dbraw/zinc/77/98/98/721779898.db2.gz	SEWHFLVYOFAXNX-QFIPXVFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4nc(C)cc(C)c4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164921316	721829128	/nfs/dbraw/zinc/82/91/28/721829128.db2.gz	JQRBDEKOWMMSPI-FQEVSTJZSA-N	0	0	433.534	2.479	20	5		IEBDRN
COc1cc(C)nc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)c1[N+](=O)[O-]	ZINC001164945979	721973416	/nfs/dbraw/zinc/97/34/16/721973416.db2.gz	VJBPBCKZDIDKGX-UHFFFAOYSA-N	0	0	425.489	2.278	20	5		IEBDRN
CN1CCN(c2ncnc3c2CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC3)CC1	ZINC001164997095	722231123	/nfs/dbraw/zinc/23/11/23/722231123.db2.gz	PLIQHEALFYDXQR-UHFFFAOYSA-N	0	0	438.319	2.444	20	5		IEBDRN
CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2C[C@@H]1C	ZINC000012657681	562982853	/nfs/dbraw/zinc/98/28/53/562982853.db2.gz	YPFZPYANOJYRJV-HNNXBMFYSA-N	0	0	444.513	2.403	20	5		IEBDRN
CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-]	ZINC000064704933	563156704	/nfs/dbraw/zinc/15/67/04/563156704.db2.gz	WHAGCJQWGYBKNF-UHFFFAOYSA-N	0	0	436.486	2.096	20	5		IEBDRN
CNC(=O)CO[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164677408	719548603	/nfs/dbraw/zinc/54/86/03/719548603.db2.gz	DQFRKSOLCPUMGC-GFCCVEGCSA-N	0	0	434.827	2.079	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164698048	719840349	/nfs/dbraw/zinc/84/03/49/719840349.db2.gz	DQKGNJJZNBKYGH-CXAGYDPISA-N	0	0	448.854	2.421	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164698049	719840484	/nfs/dbraw/zinc/84/04/84/719840484.db2.gz	DQKGNJJZNBKYGH-DYVFJYSZSA-N	0	0	448.854	2.421	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1	ZINC001164707981	719867369	/nfs/dbraw/zinc/86/73/69/719867369.db2.gz	XAZHAQNSKVRYQP-PGRDOPGGSA-N	0	0	441.488	2.285	20	5		IEBDRN
O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21)N1CCCCO1	ZINC001164707041	719911380	/nfs/dbraw/zinc/91/13/80/719911380.db2.gz	MQVYORXRHGCBRI-KWCYVHTRSA-N	0	0	446.838	2.441	20	5		IEBDRN
Cc1cc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164703572	720047709	/nfs/dbraw/zinc/04/77/09/720047709.db2.gz	KSTXDAQSOACIMZ-UHFFFAOYSA-N	0	0	449.515	2.135	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1	ZINC001164725033	720319703	/nfs/dbraw/zinc/31/97/03/720319703.db2.gz	VEBJQJNDOTVUQH-OUCADQQQSA-N	0	0	448.854	2.419	20	5		IEBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164738234	720654845	/nfs/dbraw/zinc/65/48/45/720654845.db2.gz	AZIJOEHFQYHRKY-RYUDHWBXSA-N	0	0	426.811	2.320	20	5		IEBDRN
O=C([C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1)N1CCCO1	ZINC001164851381	720818138	/nfs/dbraw/zinc/81/81/38/720818138.db2.gz	LASGEFHMZYBJPI-UBHSHLNASA-N	0	0	432.811	2.478	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21	ZINC001164757617	720990648	/nfs/dbraw/zinc/99/06/48/720990648.db2.gz	PMCSZADWRIRQIW-SUHUHFCYSA-N	0	0	433.843	2.301	20	5		IEBDRN
O=[N+]([O-])c1ccc2nc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)cnc2c1	ZINC001164910321	721773383	/nfs/dbraw/zinc/77/33/83/721773383.db2.gz	BDYKEXBJRCOREU-JOCHJYFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
O=[N+]([O-])c1ccc2ncnc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)c2c1	ZINC001164912920	721779962	/nfs/dbraw/zinc/77/99/62/721779962.db2.gz	RSIMXZYSJRAOCQ-QFIPXVFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001165021756	721785797	/nfs/dbraw/zinc/78/57/97/721785797.db2.gz	PJSIHSVJDQJQRV-KRWDZBQOSA-N	0	0	448.854	2.278	20	5		IEBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4ncc([N+](=O)[O-])c(C)c4C)CCO3)C2)cs1	ZINC001164923548	721829098	/nfs/dbraw/zinc/82/90/98/721829098.db2.gz	SEIZEJRIVXJZSV-HXUWFJFHSA-N	0	0	433.534	2.479	20	5		IEBDRN
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)n1	ZINC001164942722	721937548	/nfs/dbraw/zinc/93/75/48/721937548.db2.gz	MSTIOGWALNYHQS-CHWSQXEVSA-N	0	0	440.913	2.455	20	5		IEBDRN
CSc1nc(Cl)nc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)c1[N+](=O)[O-]	ZINC001164940576	721948279	/nfs/dbraw/zinc/94/82/79/721948279.db2.gz	BWTIMLOHWPXQDM-QWHCGFSZSA-N	0	0	440.913	2.455	20	5		IEBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C[C@H]21	ZINC001164948661	721955606	/nfs/dbraw/zinc/95/56/06/721955606.db2.gz	SJYIEOAIJHETMV-SBUVDCAVSA-N	0	0	428.493	2.217	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@H]2COC[C@@H]21	ZINC001164962287	722036452	/nfs/dbraw/zinc/03/64/52/722036452.db2.gz	MTBMSQSRKGRZCG-KYOSRNDESA-N	0	0	441.822	2.160	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@@H]2COC[C@H]12	ZINC001164962296	722036493	/nfs/dbraw/zinc/03/64/93/722036493.db2.gz	MTBMSQSRKGRZCG-UXIGCNINSA-N	0	0	441.822	2.160	20	5		IEBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1	ZINC001164983023	722176335	/nfs/dbraw/zinc/17/63/35/722176335.db2.gz	AZXCDPSFRGCPGS-ROUUACIJSA-N	0	0	447.517	2.411	20	5		IEBDRN
COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)n1	ZINC001164991722	722181803	/nfs/dbraw/zinc/18/18/03/722181803.db2.gz	QTZORRYCRAKVEH-HZPDHXFCSA-N	0	0	434.522	2.337	20	5		IEBDRN
COC(=O)c1ccnc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c1[N+](=O)[O-]	ZINC001164991164	722183381	/nfs/dbraw/zinc/18/33/81/722183381.db2.gz	OVXSZVSOXJRYTQ-SJORKVTESA-N	0	0	447.517	2.411	20	5		IEBDRN
CN(C)C(=O)COCc1noc2c1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164662586	719341364	/nfs/dbraw/zinc/34/13/64/719341364.db2.gz	QBBXNVYPSPCQSG-UHFFFAOYSA-N	0	0	445.810	2.344	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164707058	719846131	/nfs/dbraw/zinc/84/61/31/719846131.db2.gz	ZANZXFPMDDHRIB-PXAZEXFGSA-N	0	0	448.854	2.421	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-]	ZINC001164703307	719847665	/nfs/dbraw/zinc/84/76/65/719847665.db2.gz	QFMMMUJBTUILIQ-RBZFPXEDSA-N	0	0	449.895	2.424	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1	ZINC001164706815	719872346	/nfs/dbraw/zinc/87/23/46/719872346.db2.gz	QRFQGVAZZKRBTF-AOMKIAJQSA-N	0	0	441.488	2.285	20	5		IEBDRN
O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21)N1CCCCO1	ZINC001164707039	719911555	/nfs/dbraw/zinc/91/15/55/719911555.db2.gz	MQVYORXRHGCBRI-IACUBPJLSA-N	0	0	446.838	2.441	20	5		IEBDRN
O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21)N1CCCCO1	ZINC001164707043	719911561	/nfs/dbraw/zinc/91/15/61/719911561.db2.gz	MQVYORXRHGCBRI-MRVWCRGKSA-N	0	0	446.838	2.441	20	5		IEBDRN
O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21)N1CCCCO1	ZINC001164706471	719914717	/nfs/dbraw/zinc/91/47/17/719914717.db2.gz	IOPBZFGODPTNIB-MRVWCRGKSA-N	0	0	446.838	2.441	20	5		IEBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl	ZINC001164740280	720619394	/nfs/dbraw/zinc/61/93/94/720619394.db2.gz	IJYBOMFJBHENGW-CHWSQXEVSA-N	0	0	426.811	2.320	20	5		IEBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164737105	720668469	/nfs/dbraw/zinc/66/84/69/720668469.db2.gz	DIAWNDOLILVHCO-STQMWFEESA-N	0	0	426.811	2.320	20	5		IEBDRN
O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1)N1CCCO1	ZINC001164851377	720817736	/nfs/dbraw/zinc/81/77/36/720817736.db2.gz	LASGEFHMZYBJPI-BNOWGMLFSA-N	0	0	432.811	2.478	20	5		IEBDRN
CCOC(=O)c1nc(Cl)nc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164782805	721392021	/nfs/dbraw/zinc/39/20/21/721392021.db2.gz	FTPTVAYRPVHMBB-GHMZBOCLSA-N	0	0	438.897	2.240	20	5		IEBDRN
CCOC(=O)c1nc(Cl)nc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164782806	721392158	/nfs/dbraw/zinc/39/21/58/721392158.db2.gz	FTPTVAYRPVHMBB-PHIMTYICSA-N	0	0	438.897	2.240	20	5		IEBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164801453	721532208	/nfs/dbraw/zinc/53/22/08/721532208.db2.gz	FKFMEGNKXQVXDW-GBESFXJTSA-N	0	0	427.461	2.040	20	5		IEBDRN
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2	ZINC001164912966	721780277	/nfs/dbraw/zinc/78/02/77/721780277.db2.gz	SEWHFLVYOFAXNX-JOCHJYFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001165019218	721786981	/nfs/dbraw/zinc/78/69/81/721786981.db2.gz	JYCWRMSUAKGKIS-KRWDZBQOSA-N	0	0	448.854	2.278	20	5		IEBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)CCO3)C2)cs1	ZINC001164922988	721830482	/nfs/dbraw/zinc/83/04/82/721830482.db2.gz	PZHNOYFHEGQKMD-FQEVSTJZSA-N	0	0	444.517	2.344	20	5		IEBDRN
COc1cc(OC)nc(CN2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)n1	ZINC001165030969	721845692	/nfs/dbraw/zinc/84/56/92/721845692.db2.gz	NFEGKCCSTLLYTM-UHFFFAOYSA-N	0	0	444.826	2.318	20	5		IEBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001164941533	721940313	/nfs/dbraw/zinc/94/03/13/721940313.db2.gz	IEXWYCNHWYZLHS-NWDGAFQWSA-N	0	0	429.264	2.386	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@H]2COC[C@H]21	ZINC001164955968	722035860	/nfs/dbraw/zinc/03/58/60/722035860.db2.gz	AIVYNBCLTKUPCV-ZOWXZIJZSA-N	0	0	441.822	2.160	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@H]2COC[C@H]21	ZINC001164962289	722036393	/nfs/dbraw/zinc/03/63/93/722036393.db2.gz	MTBMSQSRKGRZCG-LNSITVRQSA-N	0	0	441.822	2.160	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@@H]2COC[C@@H]12	ZINC001164962293	722036462	/nfs/dbraw/zinc/03/64/62/722036462.db2.gz	MTBMSQSRKGRZCG-NJZAAPMLSA-N	0	0	441.822	2.160	20	5		IEBDRN
COc1cc(C)nc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1[N+](=O)[O-]	ZINC001165008210	722263972	/nfs/dbraw/zinc/26/39/72/722263972.db2.gz	VVORZZSQGNUNBA-NRFANRHFSA-N	0	0	429.452	2.373	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164698051	719840324	/nfs/dbraw/zinc/84/03/24/719840324.db2.gz	DQKGNJJZNBKYGH-SUMWQHHRSA-N	0	0	448.854	2.421	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21	ZINC001164704884	719879700	/nfs/dbraw/zinc/87/97/00/719879700.db2.gz	WXPQIVJOPZRLTL-RBZFPXEDSA-N	0	0	449.895	2.424	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21	ZINC001164704887	719879824	/nfs/dbraw/zinc/87/98/24/719879824.db2.gz	WXPQIVJOPZRLTL-ZUOKHONESA-N	0	0	449.895	2.424	20	5		IEBDRN
O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21)N1CCCCO1	ZINC001164707534	719913436	/nfs/dbraw/zinc/91/34/36/719913436.db2.gz	SSYGRDORUXXQIG-FRRDWIJNSA-N	0	0	446.838	2.441	20	5		IEBDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1	ZINC001164721913	720306200	/nfs/dbraw/zinc/30/62/00/720306200.db2.gz	IVZLFTNEPMITKW-OAQYLSRUSA-N	0	0	447.923	2.461	20	5		IEBDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1	ZINC001164721910	720306554	/nfs/dbraw/zinc/30/65/54/720306554.db2.gz	IVZLFTNEPMITKW-NRFANRHFSA-N	0	0	447.923	2.461	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1	ZINC001164726100	720318191	/nfs/dbraw/zinc/31/81/91/720318191.db2.gz	XWGDEJWOJQHVHQ-GUTXKFCHSA-N	0	0	448.854	2.419	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1	ZINC001164725016	720320644	/nfs/dbraw/zinc/32/06/44/720320644.db2.gz	UTNMTFJUMVPVHF-AEGPPILISA-N	0	0	448.854	2.419	20	5		IEBDRN
O=C([C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1)N1CCCO1	ZINC001164851384	720818047	/nfs/dbraw/zinc/81/80/47/720818047.db2.gz	LASGEFHMZYBJPI-XBFCOCLRSA-N	0	0	432.811	2.478	20	5		IEBDRN
O=C([C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1)N1CCCO1	ZINC001164850719	720819269	/nfs/dbraw/zinc/81/92/69/720819269.db2.gz	UXOZVOQSBZUEHO-WXHSDQCUSA-N	0	0	432.811	2.478	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)cn1	ZINC001164765289	721033135	/nfs/dbraw/zinc/03/31/35/721033135.db2.gz	OUUGZECRPGFGOR-CHWSQXEVSA-N	0	0	426.811	2.415	20	5		IEBDRN
Cc1ccc(N2CCO[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]32)nn1	ZINC001164778105	721309969	/nfs/dbraw/zinc/30/99/69/721309969.db2.gz	WFNMRPXKMSZPOV-STQMWFEESA-N	0	0	426.811	2.381	20	5		IEBDRN
COc1nc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164777052	721331874	/nfs/dbraw/zinc/33/18/74/721331874.db2.gz	LCMSGRFXVIYDAD-HXUWFJFHSA-N	0	0	432.481	2.117	20	5		IEBDRN
COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1	ZINC001164779501	721350440	/nfs/dbraw/zinc/35/04/40/721350440.db2.gz	UKNGCDRFCPRZRY-NRFANRHFSA-N	0	0	446.508	2.426	20	5		IEBDRN
COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1	ZINC001164779502	721350760	/nfs/dbraw/zinc/35/07/60/721350760.db2.gz	UKNGCDRFCPRZRY-OAQYLSRUSA-N	0	0	446.508	2.426	20	5		IEBDRN
CCOC(=O)c1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164805613	721588005	/nfs/dbraw/zinc/58/80/05/721588005.db2.gz	LFOGJBYIYKIHRQ-WSTZPKSXSA-N	0	0	441.488	2.430	20	5		IEBDRN
Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)n1	ZINC001164912461	721777621	/nfs/dbraw/zinc/77/76/21/721777621.db2.gz	MCQANRZVGKPMCP-FQEVSTJZSA-N	0	0	433.896	2.454	20	5		IEBDRN
COc1cc(OC)nc(CN2CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC2)n1	ZINC001165030919	721846729	/nfs/dbraw/zinc/84/67/29/721846729.db2.gz	XTAALTSNZYGPDR-UHFFFAOYSA-N	0	0	429.264	2.426	20	5		IEBDRN
CCOC(=O)c1nc(Cl)nc(N2CCN(CCOc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC001165042345	721952525	/nfs/dbraw/zinc/95/25/25/721952525.db2.gz	KLYPIUBYPFDIIB-UHFFFAOYSA-N	0	0	435.868	2.416	20	5		IEBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C[C@@H]21	ZINC001164948659	721955613	/nfs/dbraw/zinc/95/56/13/721955613.db2.gz	SJYIEOAIJHETMV-DXPXIUTNSA-N	0	0	428.493	2.217	20	5		IEBDRN
COc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)c1	ZINC000040943255	563113580	/nfs/dbraw/zinc/11/35/80/563113580.db2.gz	GLWIPFBFVQOOGK-UHFFFAOYSA-N	0	0	426.473	2.402	20	5		IEBDRN
COCCN1CCN(C)C2(CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC2)C1=O	ZINC001164635508	719270781	/nfs/dbraw/zinc/27/07/81/719270781.db2.gz	RUMKGGKBQDEXKC-UHFFFAOYSA-N	0	0	432.308	2.056	20	5		IEBDRN
O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21)N1CCCCO1	ZINC001164707536	719914001	/nfs/dbraw/zinc/91/40/01/719914001.db2.gz	SSYGRDORUXXQIG-RWMBFGLXSA-N	0	0	446.838	2.441	20	5		IEBDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1	ZINC001164726097	720306296	/nfs/dbraw/zinc/30/62/96/720306296.db2.gz	XVGHIMFYCCUEHC-QHCPKHFHSA-N	0	0	439.516	2.322	20	5		IEBDRN
Cc1ccc(N2CCO[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]32)nn1	ZINC001164775367	721309909	/nfs/dbraw/zinc/30/99/09/721309909.db2.gz	CTGWBMKFHZHKNL-KBPBESRZSA-N	0	0	426.811	2.381	20	5		IEBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164801458	721531464	/nfs/dbraw/zinc/53/14/64/721531464.db2.gz	FKFMEGNKXQVXDW-QYZOEREBSA-N	0	0	427.461	2.040	20	5		IEBDRN
COC(=O)c1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164806304	721560917	/nfs/dbraw/zinc/56/09/17/721560917.db2.gz	PQTWHVUTBCDGMG-ZIFCJYIRSA-N	0	0	427.461	2.040	20	5		IEBDRN
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164803966	721566124	/nfs/dbraw/zinc/56/61/24/721566124.db2.gz	KDLLPUZXLOOHAK-SLFFLAALSA-N	0	0	441.488	2.430	20	5		IEBDRN
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164803965	721566402	/nfs/dbraw/zinc/56/64/02/721566402.db2.gz	KDLLPUZXLOOHAK-HSALFYBXSA-N	0	0	441.488	2.430	20	5		IEBDRN
COc1cc2ncnc(N3CCCn4c(CN(C)C(C)C)nnc4C3)c2cc1[N+](=O)[O-]	ZINC001165010329	721704345	/nfs/dbraw/zinc/70/43/45/721704345.db2.gz	HGTUAQRQLNEMTB-UHFFFAOYSA-N	0	0	426.481	2.389	20	5		IEBDRN
CC(C)Oc1nc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)ccc1[N+](=O)[O-]	ZINC001164913744	721796559	/nfs/dbraw/zinc/79/65/59/721796559.db2.gz	GSKHKJUKOUXGNV-JOCHJYFZSA-N	0	0	443.504	2.280	20	5		IEBDRN
COc1cc(OC)nc(CN2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)n1	ZINC001165030124	721846353	/nfs/dbraw/zinc/84/63/53/721846353.db2.gz	OUUSKVKIKDKZDE-UHFFFAOYSA-N	0	0	444.826	2.318	20	5		IEBDRN
COc1cc(OC)nc(CN2CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC2)n1	ZINC001165029277	721851042	/nfs/dbraw/zinc/85/10/42/721851042.db2.gz	IHLJJKCMJKYWRX-UHFFFAOYSA-N	0	0	437.460	2.181	20	5		IEBDRN
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)n1	ZINC001164942728	721937556	/nfs/dbraw/zinc/93/75/56/721937556.db2.gz	MSTIOGWALNYHQS-QWHCGFSZSA-N	0	0	440.913	2.455	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]2COC[C@H]12	ZINC001164962405	722036415	/nfs/dbraw/zinc/03/64/15/722036415.db2.gz	NKWSNPWEHBPFDB-JTNHKYCSSA-N	0	0	441.822	2.160	20	5		IEBDRN
COC(=O)c1cnc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c([N+](=O)[O-])c1	ZINC001164991574	722179139	/nfs/dbraw/zinc/17/91/39/722179139.db2.gz	XUDYYSQIDYYYGD-AEFFLSMTSA-N	0	0	447.517	2.411	20	5		IEBDRN
COC(=O)c1ccnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1[N+](=O)[O-]	ZINC001164991156	722183380	/nfs/dbraw/zinc/18/33/80/722183380.db2.gz	OVXSZVSOXJRYTQ-DLBZAZTESA-N	0	0	447.517	2.411	20	5		IEBDRN
CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2C[C@H]1C	ZINC000012657678	562982876	/nfs/dbraw/zinc/98/28/76/562982876.db2.gz	YPFZPYANOJYRJV-OAHLLOKOSA-N	0	0	444.513	2.403	20	5		IEBDRN
COc1nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc(OC)c1[N+](=O)[O-]	ZINC001164695257	719892121	/nfs/dbraw/zinc/89/21/21/719892121.db2.gz	KDDFLNUGLNAZDP-UHFFFAOYSA-N	0	0	435.506	2.335	20	5		IEBDRN
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1	ZINC001164725034	720319635	/nfs/dbraw/zinc/31/96/35/720319635.db2.gz	VEBJQJNDOTVUQH-SCRDCRAPSA-N	0	0	448.854	2.419	20	5		IEBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164738236	720653473	/nfs/dbraw/zinc/65/34/73/720653473.db2.gz	AZIJOEHFQYHRKY-VXGBXAGGSA-N	0	0	426.811	2.320	20	5		IEBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164738230	720655036	/nfs/dbraw/zinc/65/50/36/720655036.db2.gz	AZIJOEHFQYHRKY-NEPJUHHUSA-N	0	0	426.811	2.320	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21	ZINC001164755585	720989732	/nfs/dbraw/zinc/98/97/32/720989732.db2.gz	AXNQIMWIHTYVAI-GVXVVHGQSA-N	0	0	433.843	2.301	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]12	ZINC001164755591	720989800	/nfs/dbraw/zinc/98/98/00/720989800.db2.gz	AXNQIMWIHTYVAI-WZRBSPASSA-N	0	0	433.843	2.301	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)cn1	ZINC001164759932	721035068	/nfs/dbraw/zinc/03/50/68/721035068.db2.gz	AXHUEIUINMJYFM-UONOGXRCSA-N	0	0	426.811	2.415	20	5		IEBDRN
Cc1ccc(N2CCO[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]32)nn1	ZINC001164778101	721309913	/nfs/dbraw/zinc/30/99/13/721309913.db2.gz	WFNMRPXKMSZPOV-CHWSQXEVSA-N	0	0	426.811	2.381	20	5		IEBDRN
CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164782808	721392016	/nfs/dbraw/zinc/39/20/16/721392016.db2.gz	FTPTVAYRPVHMBB-QWRGUYRKSA-N	0	0	438.897	2.240	20	5		IEBDRN
COC(=O)c1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164806301	721560688	/nfs/dbraw/zinc/56/06/88/721560688.db2.gz	PQTWHVUTBCDGMG-LNLFQRSKSA-N	0	0	427.461	2.040	20	5		IEBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164803354	721591352	/nfs/dbraw/zinc/59/13/52/721591352.db2.gz	HQHTXFNTQIUAHO-NZSAHSFTSA-N	0	0	427.461	2.040	20	5		IEBDRN
O=[N+]([O-])c1ccc2ncc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)nc2c1	ZINC001164912885	721771679	/nfs/dbraw/zinc/77/16/79/721771679.db2.gz	RENYJNHTTIOXIW-JOCHJYFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
O=[N+]([O-])c1ccc2ncnc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)c2c1	ZINC001164912918	721780047	/nfs/dbraw/zinc/78/00/47/721780047.db2.gz	RSIMXZYSJRAOCQ-JOCHJYFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001165020833	721786385	/nfs/dbraw/zinc/78/63/85/721786385.db2.gz	LSGBIIQEMFWDAN-QGZVFWFLSA-N	0	0	448.854	2.278	20	5		IEBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4nc(C)cc(C)c4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164921325	721829053	/nfs/dbraw/zinc/82/90/53/721829053.db2.gz	JQRBDEKOWMMSPI-HXUWFJFHSA-N	0	0	433.534	2.479	20	5		IEBDRN
COc1cc(OC)nc(CN2CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC2)n1	ZINC001165029184	721852037	/nfs/dbraw/zinc/85/20/37/721852037.db2.gz	HKULREOWEHLDCE-UHFFFAOYSA-N	0	0	445.867	2.321	20	5		IEBDRN
CN(C)/C=C\c1cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)ncc1[N+](=O)[O-]	ZINC001164936773	721907646	/nfs/dbraw/zinc/90/76/46/721907646.db2.gz	VNEBRBUSNYOHTM-YWEYNIOJSA-N	0	0	441.536	2.127	20	5		IEBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001164941535	721940475	/nfs/dbraw/zinc/94/04/75/721940475.db2.gz	IEXWYCNHWYZLHS-VXGBXAGGSA-N	0	0	429.264	2.386	20	5		IEBDRN
CSc1nc(Cl)nc(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)c1[N+](=O)[O-]	ZINC001164940574	721948442	/nfs/dbraw/zinc/94/84/42/721948442.db2.gz	BWTIMLOHWPXQDM-OLZOCXBDSA-N	0	0	440.913	2.455	20	5		IEBDRN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)n1	ZINC001164944105	721970950	/nfs/dbraw/zinc/97/09/50/721970950.db2.gz	GCGITXPFTMCERX-UHFFFAOYSA-N	0	0	430.896	2.318	20	5		IEBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1	ZINC001164983021	722176158	/nfs/dbraw/zinc/17/61/58/722176158.db2.gz	AZXCDPSFRGCPGS-MSOLQXFVSA-N	0	0	447.517	2.411	20	5		IEBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1	ZINC001164983024	722176312	/nfs/dbraw/zinc/17/63/12/722176312.db2.gz	AZXCDPSFRGCPGS-ZWKOTPCHSA-N	0	0	447.517	2.411	20	5		IEBDRN
COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1	ZINC001164991718	722181745	/nfs/dbraw/zinc/18/17/45/722181745.db2.gz	QTZORRYCRAKVEH-CVEARBPZSA-N	0	0	434.522	2.337	20	5		IEBDRN
CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164991044	722189995	/nfs/dbraw/zinc/18/99/95/722189995.db2.gz	YIYNPCUNSFNTRI-UHFFFAOYSA-N	0	0	443.842	2.462	20	5		IEBDRN
Cc1nc(Cl)nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1[N+](=O)[O-]	ZINC001165005772	722260163	/nfs/dbraw/zinc/26/01/63/722260163.db2.gz	ZVRBOPKZBNJVGZ-LJQANCHMSA-N	0	0	434.859	2.413	20	5		IEBDRN
CN(C)C(=O)COCc1noc2c1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164663184	719340985	/nfs/dbraw/zinc/34/09/85/719340985.db2.gz	VUTIOBMKQCPMQJ-UHFFFAOYSA-N	0	0	445.810	2.344	20	5		IEBDRN
CNC(=O)CO[C@H]1COC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164676610	719550120	/nfs/dbraw/zinc/55/01/20/719550120.db2.gz	CTEHTVGXFLYWIP-GFCCVEGCSA-N	0	0	434.827	2.079	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21	ZINC001164705329	719847883	/nfs/dbraw/zinc/84/78/83/719847883.db2.gz	VCGMTPIHFROHDT-XOBRGWDASA-N	0	0	449.895	2.424	20	5		IEBDRN
O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21)N1CCCCO1	ZINC001164707537	719913736	/nfs/dbraw/zinc/91/37/36/719913736.db2.gz	SSYGRDORUXXQIG-YNEHKIRRSA-N	0	0	446.838	2.441	20	5		IEBDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1	ZINC001164718371	720240888	/nfs/dbraw/zinc/24/08/88/720240888.db2.gz	FNMMOZUWPYONQU-NRFANRHFSA-N	0	0	447.923	2.461	20	5		IEBDRN
Cc1nc(CN2CCN(C)C3(CCN(c4ncc([N+](=O)[O-])cc4F)CC3)C2=O)cs1	ZINC001164824776	720365752	/nfs/dbraw/zinc/36/57/52/720365752.db2.gz	KUBNTIDLSMGMEE-UHFFFAOYSA-N	0	0	434.497	2.207	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]12	ZINC001164757613	720990539	/nfs/dbraw/zinc/99/05/39/720990539.db2.gz	PMCSZADWRIRQIW-OSMZGAPFSA-N	0	0	433.843	2.301	20	5		IEBDRN
COc1ncnc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1[N+](=O)[O-]	ZINC001164776791	721350198	/nfs/dbraw/zinc/35/01/98/721350198.db2.gz	CWNDRIOMUTUTFZ-FQEVSTJZSA-N	0	0	432.481	2.117	20	5		IEBDRN
CCOC(=O)c1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164805605	721587717	/nfs/dbraw/zinc/58/77/17/721587717.db2.gz	LFOGJBYIYKIHRQ-BJLQDIEVSA-N	0	0	441.488	2.430	20	5		IEBDRN
CCOC(=O)c1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164805607	721587920	/nfs/dbraw/zinc/58/79/20/721587920.db2.gz	LFOGJBYIYKIHRQ-CMKODMSKSA-N	0	0	441.488	2.430	20	5		IEBDRN
Cc1cc(Cl)nc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c1[N+](=O)[O-]	ZINC001164913317	721776659	/nfs/dbraw/zinc/77/66/59/721776659.db2.gz	WKQLWTQWDYXJFJ-HXUWFJFHSA-N	0	0	433.896	2.454	20	5		IEBDRN
CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001165021758	721785732	/nfs/dbraw/zinc/78/57/32/721785732.db2.gz	PJSIHSVJDQJQRV-QGZVFWFLSA-N	0	0	448.854	2.278	20	5		IEBDRN
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)c21	ZINC001164913495	721798832	/nfs/dbraw/zinc/79/88/32/721798832.db2.gz	DTZGVDLYRKQHLU-QFIPXVFZSA-N	0	0	436.472	2.041	20	5		IEBDRN
COc1cc(C)nc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)c1[N+](=O)[O-]	ZINC001164926461	721826960	/nfs/dbraw/zinc/82/69/60/721826960.db2.gz	XCXNXSXMUHOZPD-HXUWFJFHSA-N	0	0	449.533	2.180	20	5		IEBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)CCO3)C2)cs1	ZINC001164920100	721829667	/nfs/dbraw/zinc/82/96/67/721829667.db2.gz	AHPDGEVBUSXNSX-HXUWFJFHSA-N	0	0	444.517	2.344	20	5		IEBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1	ZINC001164990082	722186638	/nfs/dbraw/zinc/18/66/38/722186638.db2.gz	PXKJSZGQCVRJMW-WMZOPIPTSA-N	0	0	447.517	2.411	20	5		IEBDRN
CN1CCN(c2ncnc3c2CCN(c2ccc(-c4ccccc4[N+](=O)[O-])nn2)CC3)CC1	ZINC001165001561	722238747	/nfs/dbraw/zinc/23/87/47/722238747.db2.gz	IXWNSBZXNCXOOT-UHFFFAOYSA-N	0	0	446.515	2.199	20	5		IEBDRN
COc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	ZINC000016024638	563020669	/nfs/dbraw/zinc/02/06/69/563020669.db2.gz	HKNZTEDDEHCQTQ-UHFFFAOYSA-N	0	0	426.473	2.402	20	5		IEBDRN
CNC(=O)CO[C@H]1COC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164678735	719549920	/nfs/dbraw/zinc/54/99/20/719549920.db2.gz	MUKMMDFEVMWSOA-LLVKDONJSA-N	0	0	434.827	2.079	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164706560	719848932	/nfs/dbraw/zinc/84/89/32/719848932.db2.gz	XOTJWIQUCDWPOX-YVEFUNNKSA-N	0	0	448.854	2.421	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1	ZINC001164707983	719867483	/nfs/dbraw/zinc/86/74/83/719867483.db2.gz	XAZHAQNSKVRYQP-XMSQKQJNSA-N	0	0	441.488	2.285	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21	ZINC001164704886	719879610	/nfs/dbraw/zinc/87/96/10/719879610.db2.gz	WXPQIVJOPZRLTL-XCLFUZPHSA-N	0	0	449.895	2.424	20	5		IEBDRN
O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21)N1CCCCO1	ZINC001164706468	719914872	/nfs/dbraw/zinc/91/48/72/719914872.db2.gz	IOPBZFGODPTNIB-KWCYVHTRSA-N	0	0	446.838	2.441	20	5		IEBDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccc3ccc4cccnc4c3n1)CC2	ZINC001164702398	720047637	/nfs/dbraw/zinc/04/76/37/720047637.db2.gz	FRPUJJRRTHRRKM-UHFFFAOYSA-N	0	0	441.539	2.467	20	5		IEBDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1	ZINC001164719755	720226866	/nfs/dbraw/zinc/22/68/66/720226866.db2.gz	TYDBWDGRNXHBJZ-QFIPXVFZSA-N	0	0	427.505	2.116	20	5		IEBDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1	ZINC001164720641	720259978	/nfs/dbraw/zinc/25/99/78/720259978.db2.gz	ZIUOFQPKPVULLM-OAQYLSRUSA-N	0	0	447.923	2.461	20	5		IEBDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1	ZINC001164726093	720306009	/nfs/dbraw/zinc/30/60/09/720306009.db2.gz	XVGHIMFYCCUEHC-HSZRJFAPSA-N	0	0	439.516	2.322	20	5		IEBDRN
CC(=O)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164830134	720413545	/nfs/dbraw/zinc/41/35/45/720413545.db2.gz	QDINIUHCYAGMNO-UHFFFAOYSA-N	0	0	429.815	2.168	20	5		IEBDRN
O=C([C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1)N1CCCO1	ZINC001164849023	720818902	/nfs/dbraw/zinc/81/89/02/720818902.db2.gz	NZTYUGYVSUIOTJ-IHRRRGAJSA-N	0	0	432.811	2.478	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)cn1	ZINC001164769350	721034639	/nfs/dbraw/zinc/03/46/39/721034639.db2.gz	WIEKQCPHNUHACY-NEPJUHHUSA-N	0	0	426.811	2.415	20	5		IEBDRN
COC(=O)c1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c([N+](=O)[O-])c1	ZINC001164809444	721543502	/nfs/dbraw/zinc/54/35/02/721543502.db2.gz	USZJGJUCYHVHHI-NEWSRXKRSA-N	0	0	427.461	2.040	20	5		IEBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164803356	721591167	/nfs/dbraw/zinc/59/11/67/721591167.db2.gz	HQHTXFNTQIUAHO-WDSOQIARSA-N	0	0	427.461	2.040	20	5		IEBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)CCO3)C2)cs1	ZINC001164920099	721829730	/nfs/dbraw/zinc/82/97/30/721829730.db2.gz	AHPDGEVBUSXNSX-FQEVSTJZSA-N	0	0	444.517	2.344	20	5		IEBDRN
CC(C)Oc1nc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)ccc1[N+](=O)[O-]	ZINC001164935700	721908864	/nfs/dbraw/zinc/90/88/64/721908864.db2.gz	NJEKOTUBCGBSRT-UHFFFAOYSA-N	0	0	430.509	2.382	20	5		IEBDRN
COC(=O)c1ccnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c1[N+](=O)[O-]	ZINC001164991158	722183305	/nfs/dbraw/zinc/18/33/05/722183305.db2.gz	OVXSZVSOXJRYTQ-IAGOWNOFSA-N	0	0	447.517	2.411	20	5		IEBDRN
CC1CCN(C(=O)C2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)CC1	ZINC000095604765	563193805	/nfs/dbraw/zinc/19/38/05/563193805.db2.gz	KJBUTDAKSJZRTF-UHFFFAOYSA-N	0	0	437.518	2.109	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164707060	719846138	/nfs/dbraw/zinc/84/61/38/719846138.db2.gz	ZANZXFPMDDHRIB-SJCJKPOMSA-N	0	0	448.854	2.421	20	5		IEBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164707062	719846288	/nfs/dbraw/zinc/84/62/88/719846288.db2.gz	ZANZXFPMDDHRIB-SJKOYZFVSA-N	0	0	448.854	2.421	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-]	ZINC001164703309	719847526	/nfs/dbraw/zinc/84/75/26/719847526.db2.gz	QFMMMUJBTUILIQ-XCLFUZPHSA-N	0	0	449.895	2.424	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164706553	719849060	/nfs/dbraw/zinc/84/90/60/719849060.db2.gz	XOTJWIQUCDWPOX-PXAZEXFGSA-N	0	0	448.854	2.421	20	5		IEBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1	ZINC001164707978	719867341	/nfs/dbraw/zinc/86/73/41/719867341.db2.gz	XAZHAQNSKVRYQP-AVRDEDQJSA-N	0	0	441.488	2.285	20	5		IEBDRN
O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21)N1CCCCO1	ZINC001164706465	719914518	/nfs/dbraw/zinc/91/45/18/719914518.db2.gz	IOPBZFGODPTNIB-IACUBPJLSA-N	0	0	446.838	2.441	20	5		IEBDRN
Cc1nc(CN2CCN(C)C3(CCN(c4nccc(C)c4[N+](=O)[O-])CC3)C2=O)cs1	ZINC001164823287	720362737	/nfs/dbraw/zinc/36/27/37/720362737.db2.gz	DGNNQUYVALTKNK-UHFFFAOYSA-N	0	0	430.534	2.376	20	5		IEBDRN
Cc1nc(CN2CCN(C)C3(CCN(c4ncc(F)cc4[N+](=O)[O-])CC3)C2=O)cs1	ZINC001164823223	720363788	/nfs/dbraw/zinc/36/37/88/720363788.db2.gz	CHBPENAKPGBBBU-UHFFFAOYSA-N	0	0	434.497	2.207	20	5		IEBDRN
CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]12	ZINC001164757532	720987020	/nfs/dbraw/zinc/98/70/20/720987020.db2.gz	OTFGXNZDBNMQDK-OSMZGAPFSA-N	0	0	433.843	2.301	20	5		IEBDRN
Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)cn1	ZINC001164769354	721034694	/nfs/dbraw/zinc/03/46/94/721034694.db2.gz	WIEKQCPHNUHACY-NWDGAFQWSA-N	0	0	426.811	2.415	20	5		IEBDRN
COc1nc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164777051	721331583	/nfs/dbraw/zinc/33/15/83/721331583.db2.gz	LCMSGRFXVIYDAD-FQEVSTJZSA-N	0	0	432.481	2.117	20	5		IEBDRN
COC(=O)c1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1	ZINC001164809453	721543349	/nfs/dbraw/zinc/54/33/49/721543349.db2.gz	USZJGJUCYHVHHI-YTQUADARSA-N	0	0	427.461	2.040	20	5		IEBDRN
COC(=O)c1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164806299	721561107	/nfs/dbraw/zinc/56/11/07/721561107.db2.gz	PQTWHVUTBCDGMG-JENIJYKNSA-N	0	0	427.461	2.040	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@H]2COC[C@@H]21	ZINC001164955965	722035855	/nfs/dbraw/zinc/03/58/55/722035855.db2.gz	AIVYNBCLTKUPCV-JMSVASOKSA-N	0	0	441.822	2.160	20	5		IEBDRN
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]2COC[C@@H]12	ZINC001164962406	722036473	/nfs/dbraw/zinc/03/64/73/722036473.db2.gz	NKWSNPWEHBPFDB-MISXGVKJSA-N	0	0	441.822	2.160	20	5		IEBDRN
COC(=O)c1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c([N+](=O)[O-])c1	ZINC001164991575	722179175	/nfs/dbraw/zinc/17/91/75/722179175.db2.gz	XUDYYSQIDYYYGD-FUHWJXTLSA-N	0	0	447.517	2.411	20	5		IEBDRN