smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)n1	ZINC000152088468	326698569	/nfs/dbraw/zinc/69/85/69/326698569.db2.gz	GJLYXERMLABBRJ-CYBMUJFWSA-N	-1	0	359.386	2.061	10	5		FEBERM
Cc1noc(C2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)n1	ZINC000262135619	328844967	/nfs/dbraw/zinc/84/49/67/328844967.db2.gz	DKDWHGUZDZOLDZ-UHFFFAOYSA-N	-1	0	360.326	2.004	10	5		FEBERM
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263136437	328918644	/nfs/dbraw/zinc/91/86/44/328918644.db2.gz	GIPLEMFIXUNQNV-FXPVBKGRSA-N	-1	0	356.762	2.195	10	5		FEBERM
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)n1	ZINC000186578228	327969297	/nfs/dbraw/zinc/96/92/97/327969297.db2.gz	UDPSSIDEBTXBIF-ZDUSSCGKSA-N	-1	0	359.386	2.061	10	5		FEBERM
CCC[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263548813	672935682	/nfs/dbraw/zinc/93/56/82/672935682.db2.gz	JCAQGUJHDOUCQG-VIFPVBQESA-N	-1	0	352.315	2.256	10	5		FEBERM
O=C([O-])[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C1CC1	ZINC000262267379	328855272	/nfs/dbraw/zinc/85/52/72/328855272.db2.gz	YEENWZXQHKQCCK-CABCVRRESA-N	-1	0	357.366	2.119	10	5		FEBERM
CCC(CC)(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262913627	549862283	/nfs/dbraw/zinc/86/22/83/549862283.db2.gz	HTRPBFBMXQSCQQ-UHFFFAOYSA-N	-1	0	352.372	2.220	10	5		FEBERM
O=C([O-])[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F	ZINC000262248644	328854056	/nfs/dbraw/zinc/85/40/56/328854056.db2.gz	LJVCAACEGRTOSA-VXGBXAGGSA-N	-1	0	360.288	2.249	10	5		FEBERM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc2cc[nH]c21	ZINC000120597579	671930119	/nfs/dbraw/zinc/93/01/19/671930119.db2.gz	DQZCYFIQRQXRTP-UHFFFAOYSA-N	-1	0	363.326	2.334	10	5		FEBERM
COc1cc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000263553992	328946839	/nfs/dbraw/zinc/94/68/39/328946839.db2.gz	XYRBQUWJHAMLPK-LBPRGKRZSA-N	-1	0	368.386	2.300	10	5		FEBERM
COc1cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c(F)cc1[N+](=O)[O-]	ZINC000263568414	549909595	/nfs/dbraw/zinc/90/95/95/549909595.db2.gz	YMFLDINZPFUKDI-RNFRBKRXSA-N	-1	0	352.240	2.442	10	5		FEBERM
CN(C)Nc1ncnc([N-]c2ccc(Br)cn2)c1[N+](=O)[O-]	ZINC000040628691	205073930	/nfs/dbraw/zinc/07/39/30/205073930.db2.gz	JONDSCIZJZAXSE-UHFFFAOYSA-N	-1	0	354.168	2.174	10	5		FEBERM
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2nc3ccccc3o2)CC1	ZINC000182035594	327757824	/nfs/dbraw/zinc/75/78/24/327757824.db2.gz	UDYAQXGLTSTFMX-UHFFFAOYSA-N	-1	0	368.349	2.404	10	5		FEBERM
O=C([O-])[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C1CC1	ZINC000261967748	328832238	/nfs/dbraw/zinc/83/22/38/328832238.db2.gz	BBIRXWSQDMLTQB-KGLIPLIRSA-N	-1	0	371.349	2.031	10	5		FEBERM
CCOc1ccc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000262091446	328841423	/nfs/dbraw/zinc/84/14/23/328841423.db2.gz	GMBOHIMQBRZVQL-LBPRGKRZSA-N	-1	0	368.386	2.382	10	5		FEBERM
CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000185024825	547919135	/nfs/dbraw/zinc/91/91/35/547919135.db2.gz	NOSASYXZZFBPQB-LLVKDONJSA-N	-1	0	359.176	2.269	10	5		FEBERM
COc1cc(OCC(=O)N(C)C2(C(=O)[O-])CCCCC2)ccc1[N+](=O)[O-]	ZINC000262705908	549841604	/nfs/dbraw/zinc/84/16/04/549841604.db2.gz	ANCXDYMEHYIBLD-UHFFFAOYSA-N	-1	0	366.370	2.228	10	5		FEBERM
O=C([O-])CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12	ZINC000073166882	205567666	/nfs/dbraw/zinc/56/76/66/205567666.db2.gz	PGVAHYSAZXCRDL-UHFFFAOYSA-N	-1	0	364.386	2.481	10	5		FEBERM
C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2[N+](=O)[O-])C1	ZINC000237477709	328517282	/nfs/dbraw/zinc/51/72/82/328517282.db2.gz	PMUWFGSAGTXGMH-VXGBXAGGSA-N	-1	0	361.398	2.424	10	5		FEBERM
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)n1	ZINC000116977500	326046070	/nfs/dbraw/zinc/04/60/70/326046070.db2.gz	SKZLOMMCXIHJMA-CYBMUJFWSA-N	-1	0	359.386	2.061	10	5		FEBERM
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000262948746	328902712	/nfs/dbraw/zinc/90/27/12/328902712.db2.gz	MHMVNJFXNAOVCI-GXSJLCMTSA-N	-1	0	374.802	2.041	10	5		FEBERM
Cc1ccc(Sc2[n-]cnc(=NN3CCN(C)CC3)c2[N+](=O)[O-])cc1	ZINC000040623599	208259246	/nfs/dbraw/zinc/25/92/46/208259246.db2.gz	JWDYIIQLMFMOAK-UHFFFAOYSA-N	-1	0	360.443	2.419	10	5		FEBERM
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)n1	ZINC000182024321	327757726	/nfs/dbraw/zinc/75/77/26/327757726.db2.gz	BHXPFDGEJIOVTB-CYBMUJFWSA-N	-1	0	359.386	2.061	10	5		FEBERM
O=C([O-])C1(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCCCC1	ZINC000262976196	549867554	/nfs/dbraw/zinc/86/75/54/549867554.db2.gz	QKMHEIRYQBMJKS-UHFFFAOYSA-N	-1	0	364.383	2.364	10	5		FEBERM
CC(C)(C)OCC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262086493	672908887	/nfs/dbraw/zinc/90/88/87/672908887.db2.gz	BYTWTAJOPAVPAB-CQSZACIVSA-N	-1	0	352.387	2.302	10	5		FEBERM
O=c1[nH]c2cc(Cl)c(I)cc2c([O-])c1[N+](=O)[O-]	ZINC000216446181	548677852	/nfs/dbraw/zinc/67/78/52/548677852.db2.gz	DIWWMQPEAUVOLH-UHFFFAOYSA-N	-1	0	366.498	2.400	10	5		FEBERM
Cc1ncsc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000174113181	672357988	/nfs/dbraw/zinc/35/79/88/672357988.db2.gz	KQVAXJOETBLZOC-UHFFFAOYSA-N	-1	0	361.788	2.132	10	5		FEBERM
CCC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-]	ZINC000262159971	328846732	/nfs/dbraw/zinc/84/67/32/328846732.db2.gz	PAZQJUNADOCEQR-QMMMGPOBSA-N	-1	0	363.139	2.480	10	5		FEBERM
Cc1c(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-]	ZINC000263402894	328937790	/nfs/dbraw/zinc/93/77/90/328937790.db2.gz	HAFQTIUQURBZLH-GHMZBOCLSA-N	-1	0	360.288	2.167	10	5		FEBERM
O=C([O-])c1cccc(N2C(=O)C[C@H](Nc3ccccc3[N+](=O)[O-])C2=O)c1	ZINC000102310658	209234512	/nfs/dbraw/zinc/23/45/12/209234512.db2.gz	FYAIWVDVSUZBEC-ZDUSSCGKSA-N	-1	0	355.306	2.037	10	5		FEBERM
C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2[N+](=O)[O-])C1	ZINC000237713221	328526018	/nfs/dbraw/zinc/52/60/18/328526018.db2.gz	PMUWFGSAGTXGMH-RYUDHWBXSA-N	-1	0	361.398	2.424	10	5		FEBERM
C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](CF)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000262856136	328895218	/nfs/dbraw/zinc/89/52/18/328895218.db2.gz	DQELERBSUKEHFW-NQBHXWOUSA-N	-1	0	367.377	2.230	10	5		FEBERM
O=C([O-])[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F	ZINC000262272081	518201427	/nfs/dbraw/zinc/20/14/27/518201427.db2.gz	NCFHCDSLNSZOQK-RKDXNWHRSA-N	-1	0	350.224	2.069	10	5		FEBERM
CC[C@@H](C)[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262550653	549827394	/nfs/dbraw/zinc/82/73/94/549827394.db2.gz	UVGWSYPWYVAXGH-MEBBXXQBSA-N	-1	0	370.427	2.452	10	5		FEBERM
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000263476691	549903973	/nfs/dbraw/zinc/90/39/73/549903973.db2.gz	SYQMWQLFYHJPKX-ZJUUUORDSA-N	-1	0	364.383	2.363	10	5		FEBERM
O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000263491041	672934326	/nfs/dbraw/zinc/93/43/26/672934326.db2.gz	OUWLQLDQUSXULF-SECBINFHSA-N	-1	0	366.754	2.015	10	5		FEBERM
Cc1nnc2n1C[C@H](C(=O)[O-])N(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C2	ZINC000263514468	328945293	/nfs/dbraw/zinc/94/52/93/328945293.db2.gz	OILUTEWKHPWLQX-OAHLLOKOSA-N	-1	0	359.386	2.087	10	5		FEBERM
O=C([O-])[C@@]12CCC[C@H]1CN(c1ccc(C(=O)NC3CC3)cc1[N+](=O)[O-])C2	ZINC000263552610	328946796	/nfs/dbraw/zinc/94/67/96/328946796.db2.gz	MAIFVGPKFYYZAX-KPZWWZAWSA-N	-1	0	359.382	2.178	10	5		FEBERM
O=C([O-])[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000263245264	672930467	/nfs/dbraw/zinc/93/04/67/672930467.db2.gz	OFTDRKUVVQXUEK-LLVKDONJSA-N	-1	0	355.778	2.297	10	5		FEBERM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2nc3ccccc3o2)CC1	ZINC000178407307	546788578	/nfs/dbraw/zinc/78/85/78/546788578.db2.gz	WLAFCALDJORODT-UHFFFAOYSA-N	-1	0	368.349	2.404	10	5		FEBERM
CC[C@H](C)[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262550655	328872238	/nfs/dbraw/zinc/87/22/38/328872238.db2.gz	UVGWSYPWYVAXGH-ZUZCIYMTSA-N	-1	0	370.427	2.452	10	5		FEBERM
O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1	ZINC000262844770	328894140	/nfs/dbraw/zinc/89/41/40/328894140.db2.gz	COPCUGWXFDBBAQ-GFCCVEGCSA-N	-1	0	356.762	2.105	10	5		FEBERM
Cc1ncc(CN2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)s1	ZINC000160315982	546029765	/nfs/dbraw/zinc/02/97/65/546029765.db2.gz	UERMLADCLVPQLO-UHFFFAOYSA-N	-1	0	362.411	2.023	10	5		FEBERM
CCc1nc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCCC2)no1	ZINC000177608779	546652461	/nfs/dbraw/zinc/65/24/61/546652461.db2.gz	PYWYGTSVFJQVNF-UHFFFAOYSA-N	-1	0	372.428	2.350	10	5		FEBERM
O=C([O-])CC1(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCCC1	ZINC000262905440	549860954	/nfs/dbraw/zinc/86/09/54/549860954.db2.gz	MPOUFHXVMOVPPZ-UHFFFAOYSA-N	-1	0	350.356	2.117	10	5		FEBERM
Cc1cc(OCC(=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000021025258	211304055	/nfs/dbraw/zinc/30/40/55/211304055.db2.gz	LNFHMCQSXPDOMV-UHFFFAOYSA-N	-1	0	366.351	2.167	10	5		FEBERM
O=C([O-])[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C1CC1	ZINC000261978644	328832966	/nfs/dbraw/zinc/83/29/66/328832966.db2.gz	BWEUTMKIXYXULD-CABCVRRESA-N	-1	0	357.366	2.188	10	5		FEBERM
CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000263549763	328946554	/nfs/dbraw/zinc/94/65/54/328946554.db2.gz	JWGQWOLMQJJDIT-CYBMUJFWSA-N	-1	0	371.415	2.045	10	5		FEBERM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(c2nc3ccccc3o2)CC1	ZINC000172411573	546252040	/nfs/dbraw/zinc/25/20/40/546252040.db2.gz	CEXTUSAFFWOTRC-UHFFFAOYSA-N	-1	0	368.349	2.404	10	5		FEBERM
CN(C)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1	ZINC000123682505	543776348	/nfs/dbraw/zinc/77/63/48/543776348.db2.gz	VIYPYPWTPSUGEP-AWEZNQCLSA-N	-1	0	367.402	2.315	10	5		FEBERM
CCCCN1CCOC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000185909005	548057335	/nfs/dbraw/zinc/05/73/35/548057335.db2.gz	RCUSRHZUDLWWCM-CYBMUJFWSA-N	-1	0	357.794	2.393	10	5		FEBERM
Cc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000064873578	212046577	/nfs/dbraw/zinc/04/65/77/212046577.db2.gz	RWBMYTRLBRUAIZ-OAHLLOKOSA-N	-1	0	358.350	2.094	10	5		FEBERM
O=C([O-])[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1	ZINC000263018116	672925821	/nfs/dbraw/zinc/92/58/21/672925821.db2.gz	SYZKUCYZGOYPSR-ZDUSSCGKSA-N	-1	0	370.789	2.034	10	5		FEBERM
CCC[C@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262089738	328841476	/nfs/dbraw/zinc/84/14/76/328841476.db2.gz	CJKFNNWTXWJBRU-NSHDSACASA-N	-1	0	356.400	2.206	10	5		FEBERM
Cc1cc(F)cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000262096254	328841912	/nfs/dbraw/zinc/84/19/12/328841912.db2.gz	DJLHRNGOLCGSFO-NXEZZACHSA-N	-1	0	364.251	2.377	10	5		FEBERM
CCc1nc(C2([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CCCC2)no1	ZINC000177607095	546652292	/nfs/dbraw/zinc/65/22/92/546652292.db2.gz	LLBGDKGFZDSELZ-UHFFFAOYSA-N	-1	0	366.399	2.288	10	5		FEBERM
O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C1CC1	ZINC000262632470	328877477	/nfs/dbraw/zinc/87/74/77/328877477.db2.gz	FYLMXXSXJNXGGM-CABCVRRESA-N	-1	0	373.409	2.378	10	5		FEBERM
CC(C)(C)OC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1=O	ZINC000725262178	570526814	/nfs/dbraw/zinc/52/68/14/570526814.db2.gz	AGVUMQWWLRNLBY-UHFFFAOYSA-N	-1	0	374.349	2.463	10	5		FEBERM
O=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1I	ZINC000132784584	571275963	/nfs/dbraw/zinc/27/59/63/571275963.db2.gz	AHNZIAYHAAIKLJ-UHFFFAOYSA-N	-1	0	359.079	2.083	10	5		FEBERM
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])C1CCOCC1	ZINC000263158650	672929031	/nfs/dbraw/zinc/92/90/31/672929031.db2.gz	ICAKDZNIHITZNZ-CQSZACIVSA-N	-1	0	350.371	2.069	10	5		FEBERM
CC(C)(C)OC(=O)N1C[C@H](Oc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000059903656	212018543	/nfs/dbraw/zinc/01/85/43/212018543.db2.gz	AQKMUZXZAQMDPI-PWSUYJOCSA-N	-1	0	352.343	2.436	10	5		FEBERM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c1	ZINC000059132364	212015988	/nfs/dbraw/zinc/01/59/88/212015988.db2.gz	DMCKIOWUNMCSKC-UHFFFAOYSA-N	-1	0	354.291	2.266	10	5		FEBERM
CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000262364863	328861526	/nfs/dbraw/zinc/86/15/26/328861526.db2.gz	VOXXIEFCEJXPQQ-GHMZBOCLSA-N	-1	0	360.288	2.492	10	5		FEBERM
Cc1ncc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)s1	ZINC000182001709	547419675	/nfs/dbraw/zinc/41/96/75/547419675.db2.gz	VUEYXEAKPMQHJL-UHFFFAOYSA-N	-1	0	362.411	2.023	10	5		FEBERM
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)[O-])C1CCOCC1	ZINC000263158649	672929271	/nfs/dbraw/zinc/92/92/71/672929271.db2.gz	ICAKDZNIHITZNZ-AWEZNQCLSA-N	-1	0	350.371	2.069	10	5		FEBERM
CC(C)NC(=O)c1ccc(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000263556863	328946794	/nfs/dbraw/zinc/94/67/94/328946794.db2.gz	OVUUINYUAYLEAX-SCLBCKFNSA-N	-1	0	361.398	2.424	10	5		FEBERM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(c2nc3ccccc3o2)CC1	ZINC000186848764	548205599	/nfs/dbraw/zinc/20/55/99/548205599.db2.gz	KATMENHTEQPTEB-UHFFFAOYSA-N	-1	0	368.349	2.404	10	5		FEBERM
C[C@@H](CN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-]	ZINC000263368684	549897952	/nfs/dbraw/zinc/89/79/52/549897952.db2.gz	MGEOOXYWPVLCKK-QMMMGPOBSA-N	-1	0	363.292	2.476	10	5		FEBERM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F	ZINC000262251893	328854143	/nfs/dbraw/zinc/85/41/43/328854143.db2.gz	LOOINFQUXGEORE-RKDXNWHRSA-N	-1	0	350.224	2.069	10	5		FEBERM
Cc1nc([C@@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000262601927	328875648	/nfs/dbraw/zinc/87/56/48/328875648.db2.gz	YVBXADFMMWMHOY-SECBINFHSA-N	-1	0	365.367	2.314	10	5		FEBERM
Cc1ccc(NCCCNC(=O)N(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000263251297	328928361	/nfs/dbraw/zinc/92/83/61/328928361.db2.gz	OYRFUXLXTIRVQV-GFCCVEGCSA-N	-1	0	352.391	2.067	10	5		FEBERM
COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1	ZINC000263553336	328946833	/nfs/dbraw/zinc/94/68/33/328946833.db2.gz	MMDUYEPOQBAKOB-HTQZYQBOSA-N	-1	0	352.240	2.442	10	5		FEBERM
Cc1nc([C@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000262601928	672918366	/nfs/dbraw/zinc/91/83/66/672918366.db2.gz	YVBXADFMMWMHOY-VIFPVBQESA-N	-1	0	365.367	2.314	10	5		FEBERM
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)n1	ZINC000182024339	327757561	/nfs/dbraw/zinc/75/75/61/327757561.db2.gz	BHXPFDGEJIOVTB-ZDUSSCGKSA-N	-1	0	359.386	2.061	10	5		FEBERM
C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H](CF)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000262856138	328895269	/nfs/dbraw/zinc/89/52/69/328895269.db2.gz	DQELERBSUKEHFW-NTZNESFSSA-N	-1	0	367.377	2.230	10	5		FEBERM
O=C([O-])[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1	ZINC000263029328	328909644	/nfs/dbraw/zinc/90/96/44/328909644.db2.gz	UUBZEPVNKMDUJK-GFCCVEGCSA-N	-1	0	356.762	2.105	10	5		FEBERM
O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCOCC1	ZINC000263089012	328914631	/nfs/dbraw/zinc/91/46/31/328914631.db2.gz	ZWKNPXUQVDZZIU-AWEZNQCLSA-N	-1	0	373.365	2.000	10	5		FEBERM
NC(=S)NN=c1nc(-c2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)[n-]1	ZINC000390824297	527111435	/nfs/dbraw/zinc/11/14/35/527111435.db2.gz	LBXXYETZZIBKFQ-UHFFFAOYSA-N	-1	0	358.305	2.231	10	5		FEBERM
O=C([O-])[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1	ZINC000262833614	328893267	/nfs/dbraw/zinc/89/32/67/328893267.db2.gz	GEKIPQLZTMRFAZ-SJORKVTESA-N	-1	0	354.362	2.464	10	5		FEBERM
O=C([O-])C1(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCCCC1	ZINC000263301517	328931586	/nfs/dbraw/zinc/93/15/86/328931586.db2.gz	ZODLYBPQLRQUFC-UHFFFAOYSA-N	-1	0	350.356	2.117	10	5		FEBERM
O=C([O-])c1cccc(N2C(=O)C[C@@H](Nc3ccccc3[N+](=O)[O-])C2=O)c1	ZINC000016901066	220195479	/nfs/dbraw/zinc/19/54/79/220195479.db2.gz	FYAIWVDVSUZBEC-CYBMUJFWSA-N	-1	0	355.306	2.037	10	5		FEBERM
C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000262856134	328895285	/nfs/dbraw/zinc/89/52/85/328895285.db2.gz	DQELERBSUKEHFW-LOWVWBTDSA-N	-1	0	367.377	2.230	10	5		FEBERM
C[C@H](CN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-]	ZINC000263368682	549898149	/nfs/dbraw/zinc/89/81/49/549898149.db2.gz	MGEOOXYWPVLCKK-MRVPVSSYSA-N	-1	0	363.292	2.476	10	5		FEBERM
O=C([O-])c1ccc(N2C(=O)C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000016900954	220195617	/nfs/dbraw/zinc/19/56/17/220195617.db2.gz	XVFBFWMVHYKNGO-CQSZACIVSA-N	-1	0	355.306	2.037	10	5		FEBERM
CCn1c(COc2ccc([N+](=O)[O-])c(C)c2)nnc1SCC(=O)[O-]	ZINC000064872466	221154817	/nfs/dbraw/zinc/15/48/17/221154817.db2.gz	KFUMHHIAKAWTOK-UHFFFAOYSA-N	-1	0	352.372	2.270	10	5		FEBERM
Cc1sc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000262409130	328864172	/nfs/dbraw/zinc/86/41/72/328864172.db2.gz	ZBSMROGQWUZVME-RNFRBKRXSA-N	-1	0	352.290	2.300	10	5		FEBERM
CCc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-]	ZINC000262878679	549859002	/nfs/dbraw/zinc/85/90/02/549859002.db2.gz	GVEDXMOUBZWXOU-AWEZNQCLSA-N	-1	0	350.371	2.014	10	5		FEBERM
O=C([O-])[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1	ZINC000263029330	549872574	/nfs/dbraw/zinc/87/25/74/549872574.db2.gz	UUBZEPVNKMDUJK-LBPRGKRZSA-N	-1	0	356.762	2.105	10	5		FEBERM
Cc1cc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000064873594	221154480	/nfs/dbraw/zinc/15/44/80/221154480.db2.gz	RREZVIOHIJAPHQ-HNNXBMFYSA-N	-1	0	358.350	2.094	10	5		FEBERM
COc1ccc(OC)c2c1CN(c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C[C@@H]2O	ZINC000012640701	132861808	/nfs/dbraw/zinc/86/18/08/132861808.db2.gz	OMMBTMCGLYSFAO-AWEZNQCLSA-N	-1	0	374.349	2.364	10	5		FEBERM
CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC000098088710	222228333	/nfs/dbraw/zinc/22/83/33/222228333.db2.gz	YMUUKTKPQPJUOH-QWHCGFSZSA-N	-1	0	352.343	2.436	10	5		FEBERM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862901	548750000	/nfs/dbraw/zinc/75/00/00/548750000.db2.gz	CEGZOJVDAZGTCD-UHFFFAOYSA-N	-1	0	354.315	2.321	10	5		FEBERM
CCCC[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000263556383	672936400	/nfs/dbraw/zinc/93/64/00/672936400.db2.gz	OMMXKXZSWZWSKY-SECBINFHSA-N	-1	0	368.770	2.309	10	5		FEBERM
CCn1c(COc2ccc([N+](=O)[O-])cc2C)nnc1SCC(=O)[O-]	ZINC000064872454	205309052	/nfs/dbraw/zinc/30/90/52/205309052.db2.gz	SQEMSUHOVITNOZ-UHFFFAOYSA-N	-1	0	352.372	2.270	10	5		FEBERM
CN(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1	ZINC000123682766	543776976	/nfs/dbraw/zinc/77/69/76/543776976.db2.gz	VIYPYPWTPSUGEP-CQSZACIVSA-N	-1	0	367.402	2.315	10	5		FEBERM
CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1	ZINC000263091719	549876954	/nfs/dbraw/zinc/87/69/54/549876954.db2.gz	VLSUUHDCIJPLHN-HNNXBMFYSA-N	-1	0	364.383	2.172	10	5		FEBERM
CCc1c(C)sc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1C(=O)[O-]	ZINC000263471589	549903456	/nfs/dbraw/zinc/90/34/56/549903456.db2.gz	RYNQUWOURNKTBW-UHFFFAOYSA-N	-1	0	365.367	2.026	10	5		FEBERM
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000263491043	672934251	/nfs/dbraw/zinc/93/42/51/672934251.db2.gz	OUWLQLDQUSXULF-VIFPVBQESA-N	-1	0	366.754	2.015	10	5		FEBERM
O=[N+]([O-])c1c([N-]c2ccc(Br)cn2)ncnc1-n1ccnc1	ZINC000040647476	205075132	/nfs/dbraw/zinc/07/51/32/205075132.db2.gz	RBWGHHGMQYACEP-UHFFFAOYSA-N	-1	0	362.147	2.472	10	5		FEBERM
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000262948760	328902631	/nfs/dbraw/zinc/90/26/31/328902631.db2.gz	MHMVNJFXNAOVCI-ONGXEEELSA-N	-1	0	374.802	2.041	10	5		FEBERM
O=C([O-])[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1C(F)(F)F	ZINC000263545834	328946546	/nfs/dbraw/zinc/94/65/46/328946546.db2.gz	GVWJHPMSSDSHRS-RKDXNWHRSA-N	-1	0	373.287	2.179	10	5		FEBERM
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)n1	ZINC000160431853	546040878	/nfs/dbraw/zinc/04/08/78/546040878.db2.gz	PGUNACQNRJOSCS-ZDUSSCGKSA-N	-1	0	359.386	2.061	10	5		FEBERM
O=C([O-])[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1	ZINC000263018115	328908801	/nfs/dbraw/zinc/90/88/01/328908801.db2.gz	SYZKUCYZGOYPSR-CYBMUJFWSA-N	-1	0	370.789	2.034	10	5		FEBERM
CCC[C@@H](NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000262201337	549798091	/nfs/dbraw/zinc/79/80/91/549798091.db2.gz	WAQWIFQEFVYUDQ-MRVPVSSYSA-N	-1	0	362.285	2.188	10	5		FEBERM
Cc1cc(S(=O)(=O)[N-]C(=O)CCCc2ccccn2)ccc1[N+](=O)[O-]	ZINC000127516514	672038137	/nfs/dbraw/zinc/03/81/37/672038137.db2.gz	KZZQPSIIWDMEKV-UHFFFAOYSA-N	-1	0	363.395	2.126	10	5		FEBERM
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000262678212	672919196	/nfs/dbraw/zinc/91/91/96/672919196.db2.gz	RYBFSKLOBSZEEM-KOLCDFICSA-N	-1	0	356.762	2.481	10	5		FEBERM
Cc1c(F)cc(S(=O)(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000262461670	328867342	/nfs/dbraw/zinc/86/73/42/328867342.db2.gz	MNWPEPCRHLDURW-JTQLQIEISA-N	-1	0	362.379	2.068	10	5		FEBERM
O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1	ZINC000262844771	549854997	/nfs/dbraw/zinc/85/49/97/549854997.db2.gz	COPCUGWXFDBBAQ-LBPRGKRZSA-N	-1	0	356.762	2.105	10	5		FEBERM
Cc1coc(CC(=O)[O-])c1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000263070746	549875968	/nfs/dbraw/zinc/87/59/68/549875968.db2.gz	YFCQJZCSHYETSN-UHFFFAOYSA-N	-1	0	373.365	2.086	10	5		FEBERM
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1	ZINC000262089600	328841386	/nfs/dbraw/zinc/84/13/86/328841386.db2.gz	CGYUEVOZFPIEOO-WDEREUQCSA-N	-1	0	350.352	2.124	10	5		FEBERM
CCC[C@H](NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000262201340	328850451	/nfs/dbraw/zinc/85/04/51/328850451.db2.gz	WAQWIFQEFVYUDQ-QMMMGPOBSA-N	-1	0	362.285	2.188	10	5		FEBERM
CC[C@@H](C)[C@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262550650	328872231	/nfs/dbraw/zinc/87/22/31/328872231.db2.gz	UVGWSYPWYVAXGH-BMIGLBTASA-N	-1	0	370.427	2.452	10	5		FEBERM
COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000040945817	205085066	/nfs/dbraw/zinc/08/50/66/205085066.db2.gz	PVUDDSZZPXHXEC-UHFFFAOYSA-N	-1	0	353.312	2.312	10	5		FEBERM
CC(C)(C)OCC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262086490	328841201	/nfs/dbraw/zinc/84/12/01/328841201.db2.gz	BYTWTAJOPAVPAB-AWEZNQCLSA-N	-1	0	352.387	2.302	10	5		FEBERM
CSc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-]	ZINC000263070723	328912941	/nfs/dbraw/zinc/91/29/41/328912941.db2.gz	YEVAAUJZBWGZRF-LBPRGKRZSA-N	-1	0	368.411	2.174	10	5		FEBERM
CCC[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000263549765	328946610	/nfs/dbraw/zinc/94/66/10/328946610.db2.gz	JWGQWOLMQJJDIT-ZDUSSCGKSA-N	-1	0	371.415	2.045	10	5		FEBERM
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C(=O)[O-])C1CCOCC1	ZINC000263003456	549870731	/nfs/dbraw/zinc/87/07/31/549870731.db2.gz	RKTGWLRFPXKLNW-AWEZNQCLSA-N	-1	0	364.398	2.377	10	5		FEBERM
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1S(=O)(=O)[O-]	ZINC000038171720	205040508	/nfs/dbraw/zinc/04/05/08/205040508.db2.gz	YFPQLLJMKAPUQU-UHFFFAOYSA-N	-1	0	355.284	2.199	10	5		FEBERM
CCCCN1CCOC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000185909029	327938624	/nfs/dbraw/zinc/93/86/24/327938624.db2.gz	RCUSRHZUDLWWCM-ZDUSSCGKSA-N	-1	0	357.794	2.393	10	5		FEBERM
NC(=S)NN=c1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)[n-]1	ZINC000390823967	527111078	/nfs/dbraw/zinc/11/10/78/527111078.db2.gz	HPLCFEZGZYRDND-UHFFFAOYSA-N	-1	0	358.305	2.231	10	5		FEBERM
O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCOCC1	ZINC000263089015	549877098	/nfs/dbraw/zinc/87/70/98/549877098.db2.gz	ZWKNPXUQVDZZIU-CQSZACIVSA-N	-1	0	373.365	2.000	10	5		FEBERM
O=C([O-])[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C(F)(F)F	ZINC000263569743	549909965	/nfs/dbraw/zinc/90/99/65/549909965.db2.gz	ZQUKITLBEJPXTO-RNFRBKRXSA-N	-1	0	362.289	2.299	10	5		FEBERM
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000180781342	672418151	/nfs/dbraw/zinc/41/81/51/672418151.db2.gz	UMQPJPRGNNWECI-SSDOTTSWSA-N	-1	0	353.718	2.304	10	5		FEBERM
COCCNc1ncnc([N-]c2ccc(Br)cn2)c1[N+](=O)[O-]	ZINC000040647294	205075165	/nfs/dbraw/zinc/07/51/65/205075165.db2.gz	OEFBKXDFRIVRFA-UHFFFAOYSA-N	-1	0	369.179	2.344	10	5		FEBERM
O=C([O-])[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C(F)(F)F	ZINC000263562320	328946911	/nfs/dbraw/zinc/94/69/11/328946911.db2.gz	SNPCUZFBUPVZNO-PHDIDXHHSA-N	-1	0	350.278	2.003	10	5		FEBERM
COc1cc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)c([N+](=O)[O-])cc1OC	ZINC000263041780	328910799	/nfs/dbraw/zinc/91/07/99/328910799.db2.gz	VTTWYOYSPBHVQS-UHFFFAOYSA-N	-1	0	364.310	2.142	10	5		FEBERM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1C	ZINC000246966363	549253228	/nfs/dbraw/zinc/25/32/28/549253228.db2.gz	IVVZMHMRWXTVFU-OCCSQVGLSA-N	-1	0	355.460	2.219	10	5		FEBERM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc2cc[nH]c21	ZINC000174017554	672357203	/nfs/dbraw/zinc/35/72/03/672357203.db2.gz	QBUQANKCCFCNCY-UHFFFAOYSA-N	-1	0	363.326	2.334	10	5		FEBERM
CCCC[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000263490399	672934240	/nfs/dbraw/zinc/93/42/40/672934240.db2.gz	OMMXKXZSWZWSKY-VIFPVBQESA-N	-1	0	368.770	2.309	10	5		FEBERM
O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000102310498	209234894	/nfs/dbraw/zinc/23/48/94/209234894.db2.gz	XVFBFWMVHYKNGO-AWEZNQCLSA-N	-1	0	355.306	2.037	10	5		FEBERM
CC(C)(C)OC(=O)N1C[C@H](Oc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000098088706	209206680	/nfs/dbraw/zinc/20/66/80/209206680.db2.gz	NKHQBHKCUHCTPO-CHWSQXEVSA-N	-1	0	352.343	2.436	10	5		FEBERM
Cc1ncc(CN2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)s1	ZINC000151118613	544507354	/nfs/dbraw/zinc/50/73/54/544507354.db2.gz	LOWQWWABHSSTDB-UHFFFAOYSA-N	-1	0	362.411	2.023	10	5		FEBERM
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000262948751	328902633	/nfs/dbraw/zinc/90/26/33/328902633.db2.gz	MHMVNJFXNAOVCI-KOLCDFICSA-N	-1	0	374.802	2.041	10	5		FEBERM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1C	ZINC000246966389	549252919	/nfs/dbraw/zinc/25/29/19/549252919.db2.gz	IVVZMHMRWXTVFU-TZMCWYRMSA-N	-1	0	355.460	2.219	10	5		FEBERM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCCc1ccccn1	ZINC000137242662	672141946	/nfs/dbraw/zinc/14/19/46/672141946.db2.gz	TYHTYPGDWKVARB-UHFFFAOYSA-N	-1	0	363.395	2.126	10	5		FEBERM
Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000102310879	209234143	/nfs/dbraw/zinc/23/41/43/209234143.db2.gz	HRXBCLQHFXGNIK-CQSZACIVSA-N	-1	0	369.333	2.345	10	5		FEBERM
Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])on1	ZINC000038039641	207820274	/nfs/dbraw/zinc/82/02/74/207820274.db2.gz	HGGXMEMOAWNBIP-UHFFFAOYSA-N	-1	0	362.161	2.455	10	5		FEBERM
CCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000185024806	327895513	/nfs/dbraw/zinc/89/55/13/327895513.db2.gz	NOSASYXZZFBPQB-NSHDSACASA-N	-1	0	359.176	2.269	10	5		FEBERM
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)n1	ZINC000116977502	326045864	/nfs/dbraw/zinc/04/58/64/326045864.db2.gz	SKZLOMMCXIHJMA-ZDUSSCGKSA-N	-1	0	359.386	2.061	10	5		FEBERM
Cc1nnc2n1C[C@@H](C(=O)[O-])N(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C2	ZINC000263514467	549907066	/nfs/dbraw/zinc/90/70/66/549907066.db2.gz	OILUTEWKHPWLQX-HNNXBMFYSA-N	-1	0	359.386	2.087	10	5		FEBERM
CCC[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C(=O)[O-]	ZINC000263559579	672936276	/nfs/dbraw/zinc/93/62/76/672936276.db2.gz	QLYWYRMDVWANFH-NSHDSACASA-N	-1	0	366.761	2.459	10	5		FEBERM
COc1cc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000263553991	549908641	/nfs/dbraw/zinc/90/86/41/549908641.db2.gz	XYRBQUWJHAMLPK-GFCCVEGCSA-N	-1	0	368.386	2.300	10	5		FEBERM
CC(C)(C)OC(=O)N1C[C@H](Oc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000098089578	209206158	/nfs/dbraw/zinc/20/61/58/209206158.db2.gz	AQKMUZXZAQMDPI-ZYHUDNBSSA-N	-1	0	352.343	2.436	10	5		FEBERM
Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000016901192	207600848	/nfs/dbraw/zinc/60/08/48/207600848.db2.gz	HRXBCLQHFXGNIK-AWEZNQCLSA-N	-1	0	369.333	2.345	10	5		FEBERM
Cc1noc([C@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)n1	ZINC000262175592	328848350	/nfs/dbraw/zinc/84/83/50/328848350.db2.gz	ICUCLRICANSRQC-JTQLQIEISA-N	-1	0	360.326	2.004	10	5		FEBERM
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000262678217	672919076	/nfs/dbraw/zinc/91/90/76/672919076.db2.gz	RYBFSKLOBSZEEM-ONGXEEELSA-N	-1	0	356.762	2.481	10	5		FEBERM
CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000263016518	672925859	/nfs/dbraw/zinc/92/58/59/672925859.db2.gz	PYIGJGBQBMXUMJ-AWEZNQCLSA-N	-1	0	352.372	2.219	10	5		FEBERM
CCN(C)S(=O)(=O)c1ccc2oc3ccc(C(=O)[O-])cc3c(=O)c2c1	ZINC000028260289	539828745	/nfs/dbraw/zinc/82/87/45/539828745.db2.gz	JADZGTXDSZYHOG-UHFFFAOYSA-N	-1	0	361.375	2.285	10	5		FEBERM
Cc1ncc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)s1	ZINC000185845932	548044396	/nfs/dbraw/zinc/04/43/96/548044396.db2.gz	SKNZYXXXLLAFTO-UHFFFAOYSA-N	-1	0	362.411	2.023	10	5		FEBERM
Cc1nn(CCC(=O)N(C)C2(C(=O)[O-])CCCCC2)c(C)c1[N+](=O)[O-]	ZINC000191282715	328258261	/nfs/dbraw/zinc/25/82/61/328258261.db2.gz	YKFZUERNCXHHBI-UHFFFAOYSA-N	-1	0	352.391	2.044	10	5		FEBERM
CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1	ZINC000262078634	328840377	/nfs/dbraw/zinc/84/03/77/328840377.db2.gz	DSGNIECYYFDPIP-CQSZACIVSA-N	-1	0	373.431	2.146	10	5		FEBERM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(c2nc3ccccc3o2)CC1	ZINC000119019350	326118486	/nfs/dbraw/zinc/11/84/86/326118486.db2.gz	VUKNRKQFUNZIGV-UHFFFAOYSA-N	-1	0	368.349	2.404	10	5		FEBERM
O=C([O-])[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000263245265	672930475	/nfs/dbraw/zinc/93/04/75/672930475.db2.gz	OFTDRKUVVQXUEK-NSHDSACASA-N	-1	0	355.778	2.297	10	5		FEBERM
Cc1ncc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)s1	ZINC000111622626	543409285	/nfs/dbraw/zinc/40/92/85/543409285.db2.gz	WUPZPYSCDGWEJN-UHFFFAOYSA-N	-1	0	362.411	2.023	10	5		FEBERM
O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000102310497	222294067	/nfs/dbraw/zinc/29/40/67/222294067.db2.gz	FEOMYCJLCXHBPR-ZDUSSCGKSA-N	-1	0	355.306	2.037	10	5		FEBERM
Cc1coc(CC(=O)[O-])c1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000262988494	328906181	/nfs/dbraw/zinc/90/61/81/328906181.db2.gz	QAGUBHRHSAJVAQ-UHFFFAOYSA-N	-1	0	373.365	2.086	10	5		FEBERM
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1	ZINC000262089594	328841338	/nfs/dbraw/zinc/84/13/38/328841338.db2.gz	CGYUEVOZFPIEOO-MNOVXSKESA-N	-1	0	350.352	2.124	10	5		FEBERM
O=C([O-])[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1	ZINC000262861168	328895647	/nfs/dbraw/zinc/89/56/47/328895647.db2.gz	ISBLFFZLSIBJTM-CABCVRRESA-N	-1	0	369.377	2.334	10	5		FEBERM
C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000263382712	328936782	/nfs/dbraw/zinc/93/67/82/328936782.db2.gz	XMTCFCOONBISAX-DGCLKSJQSA-N	-1	0	358.354	2.106	10	5		FEBERM
CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862622	548750262	/nfs/dbraw/zinc/75/02/62/548750262.db2.gz	QHJMKBKBFAWMSA-UHFFFAOYSA-N	-1	0	354.315	2.257	10	5		FEBERM
CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1	ZINC000263091721	549876939	/nfs/dbraw/zinc/87/69/39/549876939.db2.gz	VLSUUHDCIJPLHN-OAHLLOKOSA-N	-1	0	364.383	2.172	10	5		FEBERM
Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@@H](Nc2ccccc2[N+](=O)[O-])C1=O	ZINC000102310872	222294213	/nfs/dbraw/zinc/29/42/13/222294213.db2.gz	GRHMNJQXXFGPNC-CYBMUJFWSA-N	-1	0	369.333	2.345	10	5		FEBERM
C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000190583481	328217690	/nfs/dbraw/zinc/21/76/90/328217690.db2.gz	UXKCWQLXQHGJKN-OAHLLOKOSA-N	-1	0	370.409	2.290	10	5		FEBERM
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)n1	ZINC000160431705	326965460	/nfs/dbraw/zinc/96/54/60/326965460.db2.gz	PGUNACQNRJOSCS-CYBMUJFWSA-N	-1	0	359.386	2.061	10	5		FEBERM
CSc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)cc1[N+](=O)[O-]	ZINC000262187617	328849434	/nfs/dbraw/zinc/84/94/34/328849434.db2.gz	RIWBHOSYKPTTTB-NEPJUHHUSA-N	-1	0	350.396	2.500	10	5		FEBERM
CCC[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C(=O)[O-]	ZINC000263559578	672936397	/nfs/dbraw/zinc/93/63/97/672936397.db2.gz	QLYWYRMDVWANFH-LLVKDONJSA-N	-1	0	366.761	2.459	10	5		FEBERM
O=C([O-])c1cccc(N2C(=O)C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000102310664	222293992	/nfs/dbraw/zinc/29/39/92/222293992.db2.gz	AVPYGBSTSUHGJS-AWEZNQCLSA-N	-1	0	355.306	2.037	10	5		FEBERM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000226862878	548750905	/nfs/dbraw/zinc/75/09/05/548750905.db2.gz	QHJNXCHIZGTFSP-UHFFFAOYSA-N	-1	0	354.315	2.321	10	5		FEBERM
CCc1c(C)sc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1C(=O)[O-]	ZINC000263477657	549904159	/nfs/dbraw/zinc/90/41/59/549904159.db2.gz	TXBBDRIWLDCMLQ-UHFFFAOYSA-N	-1	0	352.372	2.451	10	5		FEBERM
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)n1	ZINC000186578208	327969306	/nfs/dbraw/zinc/96/93/06/327969306.db2.gz	UDPSSIDEBTXBIF-CYBMUJFWSA-N	-1	0	359.386	2.061	10	5		FEBERM
CCC[C@@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263569465	672936552	/nfs/dbraw/zinc/93/65/52/672936552.db2.gz	ZJJUHKMBDRGPON-CYBMUJFWSA-N	-1	0	373.431	2.291	10	5		FEBERM
O=C([O-])c1cccc(N2C(=O)C[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000016901068	220195519	/nfs/dbraw/zinc/19/55/19/220195519.db2.gz	AVPYGBSTSUHGJS-CQSZACIVSA-N	-1	0	355.306	2.037	10	5		FEBERM
CCC(CC)(CC(=O)[O-])NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000262990896	328906305	/nfs/dbraw/zinc/90/63/05/328906305.db2.gz	SOMUPEIRJSMGAW-UHFFFAOYSA-N	-1	0	352.372	2.363	10	5		FEBERM
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1	ZINC000262209387	328851217	/nfs/dbraw/zinc/85/12/17/328851217.db2.gz	XOWJCBIVDXTZJB-RISCZKNCSA-N	-1	0	350.371	2.206	10	5		FEBERM
CCC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-]	ZINC000262159969	549793892	/nfs/dbraw/zinc/79/38/92/549793892.db2.gz	PAZQJUNADOCEQR-MRVPVSSYSA-N	-1	0	363.139	2.480	10	5		FEBERM
Cc1noc([C@@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)n1	ZINC000262175594	549795374	/nfs/dbraw/zinc/79/53/74/549795374.db2.gz	ICUCLRICANSRQC-SNVBAGLBSA-N	-1	0	360.326	2.004	10	5		FEBERM
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)c1	ZINC000263052720	549874342	/nfs/dbraw/zinc/87/43/42/549874342.db2.gz	WPAOUZXECHXHDZ-CYBMUJFWSA-N	-1	0	368.411	2.174	10	5		FEBERM
O=C([O-])c1cc(Nc2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000020436299	539675179	/nfs/dbraw/zinc/67/51/79/539675179.db2.gz	CVTIXMKTZGNKOP-UHFFFAOYSA-N	-1	0	361.226	2.187	10	5		FEBERM
CC(C)(C)OC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC000008698778	219866360	/nfs/dbraw/zinc/86/63/60/219866360.db2.gz	FWPPBRIZSKHWBD-AWEZNQCLSA-N	-1	0	365.386	2.101	10	5		FEBERM
O=C([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O	ZINC000095682049	221970603	/nfs/dbraw/zinc/97/06/03/221970603.db2.gz	OMIAKMRFSBNNLP-UHFFFAOYSA-N	-1	0	359.206	2.321	10	5		FEBERM
C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000190583464	328217736	/nfs/dbraw/zinc/21/77/36/328217736.db2.gz	UXKCWQLXQHGJKN-HNNXBMFYSA-N	-1	0	370.409	2.290	10	5		FEBERM
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C(=O)[O-])C1CCOCC1	ZINC000263003458	549870746	/nfs/dbraw/zinc/87/07/46/549870746.db2.gz	RKTGWLRFPXKLNW-CQSZACIVSA-N	-1	0	364.398	2.377	10	5		FEBERM
CSc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-]	ZINC000263070720	549875802	/nfs/dbraw/zinc/87/58/02/549875802.db2.gz	YEVAAUJZBWGZRF-GFCCVEGCSA-N	-1	0	368.411	2.174	10	5		FEBERM
Cc1ccc(NCCCNC(=O)N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000263251299	549889661	/nfs/dbraw/zinc/88/96/61/549889661.db2.gz	OYRFUXLXTIRVQV-LBPRGKRZSA-N	-1	0	352.391	2.067	10	5		FEBERM
CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000263016520	672925731	/nfs/dbraw/zinc/92/57/31/672925731.db2.gz	PYIGJGBQBMXUMJ-CQSZACIVSA-N	-1	0	352.372	2.219	10	5		FEBERM
CC(C)NS(=O)(=O)c1ccc2oc3ccc(C(=O)[O-])cc3c(=O)c2c1	ZINC000028258949	220569920	/nfs/dbraw/zinc/56/99/20/220569920.db2.gz	DQZPUUJHVGLVIN-UHFFFAOYSA-N	-1	0	361.375	2.331	10	5		FEBERM
CC(C)(C)OC(=O)N1C[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-]	ZINC000059903668	221127871	/nfs/dbraw/zinc/12/78/71/221127871.db2.gz	YMUUKTKPQPJUOH-OLZOCXBDSA-N	-1	0	352.343	2.436	10	5		FEBERM
CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000098088707	222227499	/nfs/dbraw/zinc/22/74/99/222227499.db2.gz	NKHQBHKCUHCTPO-QWHCGFSZSA-N	-1	0	352.343	2.436	10	5		FEBERM
CCc1oc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C(=O)[O-]	ZINC000261604563	328804851	/nfs/dbraw/zinc/80/48/51/328804851.db2.gz	DCLSLHJZBYEYST-UHFFFAOYSA-N	-1	0	373.365	2.411	10	5		FEBERM
CCC[C@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263569466	328947393	/nfs/dbraw/zinc/94/73/93/328947393.db2.gz	ZJJUHKMBDRGPON-ZDUSSCGKSA-N	-1	0	373.431	2.291	10	5		FEBERM
CC(C)(C)OC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1=O	ZINC000725262120	570527155	/nfs/dbraw/zinc/52/71/55/570527155.db2.gz	XKPGNFPCGFODIQ-UHFFFAOYSA-N	-1	0	374.349	2.463	10	5		FEBERM
CCC[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262089736	672908895	/nfs/dbraw/zinc/90/88/95/672908895.db2.gz	CJKFNNWTXWJBRU-LLVKDONJSA-N	-1	0	356.400	2.206	10	5		FEBERM
O=C([O-])CCCCCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000262835926	672921952	/nfs/dbraw/zinc/92/19/52/672921952.db2.gz	YNPRENXRPLLWRF-UHFFFAOYSA-N	-1	0	352.372	2.364	10	5		FEBERM
CCc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-]	ZINC000262878682	549859007	/nfs/dbraw/zinc/85/90/07/549859007.db2.gz	GVEDXMOUBZWXOU-CQSZACIVSA-N	-1	0	350.371	2.014	10	5		FEBERM
COc1cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F	ZINC000263560064	549908909	/nfs/dbraw/zinc/90/89/09/549908909.db2.gz	QUUFEVPTFZSDAO-RNFRBKRXSA-N	-1	0	352.240	2.442	10	5		FEBERM
CC(C)(C)OC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-]	ZINC000008698777	539490144	/nfs/dbraw/zinc/49/01/44/539490144.db2.gz	FWPPBRIZSKHWBD-CQSZACIVSA-N	-1	0	365.386	2.101	10	5		FEBERM
O=C([O-])[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1	ZINC000262856179	549856187	/nfs/dbraw/zinc/85/61/87/549856187.db2.gz	IGLYJTRVMAQGCR-HUUCEWRRSA-N	-1	0	370.361	2.300	10	5		FEBERM
O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C(F)(F)F	ZINC000262063850	672908490	/nfs/dbraw/zinc/90/84/90/672908490.db2.gz	BBLHUNLYCNDIHT-RKDXNWHRSA-N	-1	0	350.224	2.069	10	5		FEBERM
CCC[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263548812	672935656	/nfs/dbraw/zinc/93/56/56/672935656.db2.gz	JCAQGUJHDOUCQG-SECBINFHSA-N	-1	0	352.315	2.256	10	5		FEBERM
Cc1cc(OCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000064873596	221154523	/nfs/dbraw/zinc/15/45/23/221154523.db2.gz	RREZVIOHIJAPHQ-OAHLLOKOSA-N	-1	0	358.350	2.094	10	5		FEBERM
COc1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccc(OC)cc3)[n+]2[O-])cc1	ZINC000032646403	263393250	/nfs/dbraw/zinc/39/32/50/263393250.db2.gz	YFQBYVBJJHEDFK-UHFFFAOYSA-N	-1	0	357.326	2.175	10	5		FEBERM
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)c1	ZINC000263052722	549874314	/nfs/dbraw/zinc/87/43/14/549874314.db2.gz	WPAOUZXECHXHDZ-ZDUSSCGKSA-N	-1	0	368.411	2.174	10	5		FEBERM
Cc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000064873577	221154824	/nfs/dbraw/zinc/15/48/24/221154824.db2.gz	RWBMYTRLBRUAIZ-HNNXBMFYSA-N	-1	0	358.350	2.094	10	5		FEBERM
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)n1	ZINC000152088569	326698642	/nfs/dbraw/zinc/69/86/42/326698642.db2.gz	GJLYXERMLABBRJ-ZDUSSCGKSA-N	-1	0	359.386	2.061	10	5		FEBERM
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000262948755	328902684	/nfs/dbraw/zinc/90/26/84/328902684.db2.gz	MHMVNJFXNAOVCI-MWLCHTKSSA-N	-1	0	374.802	2.041	10	5		FEBERM