smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)c2ccccc2)cc1C	ZINC000102888504	543084718	/nfs/dbraw/zinc/08/47/18/543084718.db2.gz	PDVWIYUBPKKUGW-CQSZACIVSA-N	-1	3	350.396	2.224	10	5		FEBEHM
CC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1cccc([N+](=O)[O-])c1	ZINC000177795315	327545585	/nfs/dbraw/zinc/54/55/85/327545585.db2.gz	LGBDOCTVMSRXBC-MRXNPFEDSA-N	-1	3	358.398	2.495	10	5		FEBEHM
C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000173791489	546286478	/nfs/dbraw/zinc/28/64/78/546286478.db2.gz	SWKNFATUERNKRC-ZDUSSCGKSA-N	-1	3	350.396	2.478	10	5		FEBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@@H]2C)cc1C	ZINC000173884033	327291586	/nfs/dbraw/zinc/29/15/86/327291586.db2.gz	HBERFADJPQEAFA-UONOGXRCSA-N	-1	3	355.460	2.219	10	5		FEBEHM
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-]	ZINC000253353452	549682539	/nfs/dbraw/zinc/68/25/39/549682539.db2.gz	UYEQJLBCYMJAKS-ZIAGYGMSSA-N	-1	3	355.460	2.219	10	5		FEBEHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000053993767	205196316	/nfs/dbraw/zinc/19/63/16/205196316.db2.gz	WYQSSNQCRGUSTQ-HNNXBMFYSA-N	-1	3	364.379	2.178	10	5		FEBEHM
CC(C)N1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1	ZINC000173886621	327291456	/nfs/dbraw/zinc/29/14/56/327291456.db2.gz	PRPWOFLRZGPKHD-JQWIXIFHSA-N	-1	3	361.851	2.255	10	5		FEBEHM
CC(C)N1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000173882797	327291275	/nfs/dbraw/zinc/29/12/75/327291275.db2.gz	WMHWBQOZUCOQFK-JQWIXIFHSA-N	-1	3	361.851	2.255	10	5		FEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)c(C(F)(F)F)c1	ZINC000158542407	545869217	/nfs/dbraw/zinc/86/92/17/545869217.db2.gz	RYBYCVAAXOBIRZ-WDEREUQCSA-N	-1	3	368.333	2.195	10	5		FEBEHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000068195306	541561575	/nfs/dbraw/zinc/56/15/75/541561575.db2.gz	DZNSLXBVYMFSGQ-SNVBAGLBSA-N	-1	3	367.358	2.039	10	5		FEBEHM
CC(C)(C)NN=c1nc[n-]c(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000040585245	208257344	/nfs/dbraw/zinc/25/73/44/208257344.db2.gz	QQJIFPXDCCOFKE-UHFFFAOYSA-N	-1	3	360.374	2.441	10	5		FEBEHM
O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187035802	548245865	/nfs/dbraw/zinc/24/58/65/548245865.db2.gz	XRMKRUVJFWEMDN-INIZCTEOSA-N	-1	3	370.409	2.480	10	5		FEBEHM
CN(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1	ZINC000055218501	540636968	/nfs/dbraw/zinc/63/69/68/540636968.db2.gz	ROJRGRXOKIVPCQ-HNNXBMFYSA-N	-1	3	367.402	2.315	10	5		FEBEHM
Cc1ccc(Nc2[n-]cnc(=NN3CCN(C)CC3)c2[N+](=O)[O-])c(C)c1	ZINC000040620941	208258528	/nfs/dbraw/zinc/25/85/28/208258528.db2.gz	QDSHDINENHPWDJ-UHFFFAOYSA-N	-1	3	357.418	2.320	10	5		FEBEHM
COCCN(CCOC)c1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000040618256	208259357	/nfs/dbraw/zinc/25/93/57/208259357.db2.gz	PAOXNKCYQXDAPR-UHFFFAOYSA-N	-1	3	365.365	2.367	10	5		FEBEHM
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000190596563	328218639	/nfs/dbraw/zinc/21/86/39/328218639.db2.gz	UUWZITYSEDAWQE-OAHLLOKOSA-N	-1	3	370.409	2.290	10	5		FEBEHM
CC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1cccc([N+](=O)[O-])c1	ZINC000090467082	325360240	/nfs/dbraw/zinc/36/02/40/325360240.db2.gz	LGBDOCTVMSRXBC-INIZCTEOSA-N	-1	3	358.398	2.495	10	5		FEBEHM
CC(C)N1C[C@H](C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000246475268	549141266	/nfs/dbraw/zinc/14/12/66/549141266.db2.gz	WMHWBQOZUCOQFK-CMPLNLGQSA-N	-1	3	361.851	2.255	10	5		FEBEHM
Cc1cccc(N2CCN(c3[n-]cnc(=NN(C)C)c3[N+](=O)[O-])CC2)c1C	ZINC000054498985	136125480	/nfs/dbraw/zinc/12/54/80/136125480.db2.gz	SKGNADWCSPMYHD-UHFFFAOYSA-N	-1	3	371.445	2.217	10	5		FEBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@@H]2C)c1C	ZINC000121068846	326310609	/nfs/dbraw/zinc/31/06/09/326310609.db2.gz	IVVZMHMRWXTVFU-JSGCOSHPSA-N	-1	3	355.460	2.219	10	5		FEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1	ZINC000158542001	326899282	/nfs/dbraw/zinc/89/92/82/326899282.db2.gz	RYBYCVAAXOBIRZ-MNOVXSKESA-N	-1	3	368.333	2.195	10	5		FEBEHM
O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187035782	548245911	/nfs/dbraw/zinc/24/59/11/548245911.db2.gz	XRMKRUVJFWEMDN-MRXNPFEDSA-N	-1	3	370.409	2.480	10	5		FEBEHM
CC(C)N1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000173886608	327291383	/nfs/dbraw/zinc/29/13/83/327291383.db2.gz	PRPWOFLRZGPKHD-PWSUYJOCSA-N	-1	3	361.851	2.255	10	5		FEBEHM
CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1	ZINC000055218502	540636778	/nfs/dbraw/zinc/63/67/78/540636778.db2.gz	ROJRGRXOKIVPCQ-OAHLLOKOSA-N	-1	3	367.402	2.315	10	5		FEBEHM
CCc1nc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)no1	ZINC000177606149	546652610	/nfs/dbraw/zinc/65/26/10/546652610.db2.gz	KOKUQTIIFMGXAR-UHFFFAOYSA-N	-1	3	366.399	2.288	10	5		FEBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CN(C)C)c1ccccc1	ZINC000046033936	540238304	/nfs/dbraw/zinc/23/83/04/540238304.db2.gz	DTVQVEDQAFIEDE-OAHLLOKOSA-N	-1	3	363.439	2.484	10	5		FEBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@@H]2C)cc1C	ZINC000173884047	327291592	/nfs/dbraw/zinc/29/15/92/327291592.db2.gz	HBERFADJPQEAFA-KBPBESRZSA-N	-1	3	355.460	2.219	10	5		FEBEHM
CC(C)N1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000246217691	549081930	/nfs/dbraw/zinc/08/19/30/549081930.db2.gz	PRPWOFLRZGPKHD-ZYHUDNBSSA-N	-1	3	361.851	2.255	10	5		FEBEHM
CN1CCN(N=c2nc[n-]c(Nc3ccccc3Cl)c2[N+](=O)[O-])CC1	ZINC000040623540	220912461	/nfs/dbraw/zinc/91/24/61/220912461.db2.gz	AYDBBAOSXYAUEN-UHFFFAOYSA-N	-1	3	363.809	2.356	10	5		FEBEHM
Cc1cnn(CC[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1	ZINC000183668028	327829875	/nfs/dbraw/zinc/82/98/75/327829875.db2.gz	GRHGFPSLAIIRKE-UHFFFAOYSA-N	-1	3	358.807	2.040	10	5		FEBEHM
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000190596540	328218705	/nfs/dbraw/zinc/21/87/05/328218705.db2.gz	UUWZITYSEDAWQE-HNNXBMFYSA-N	-1	3	370.409	2.290	10	5		FEBEHM
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000190645773	328221538	/nfs/dbraw/zinc/22/15/38/328221538.db2.gz	DKIWKKBNAKRUGV-OAHLLOKOSA-N	-1	3	370.409	2.290	10	5		FEBEHM
COc1c([O-])ccc2c(=O)c3c(O)c(OC)c(OC)c(OC)c3n(C)c21	ZINC000015274386	220150348	/nfs/dbraw/zinc/15/03/48/220150348.db2.gz	IHSANOPPEBGTGL-UHFFFAOYSA-N	-1	3	361.350	2.137	10	5	biogenic,in-vitro	FEBEHM
Cc1cc(O)ccc1N1C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2[O-])C1=O	ZINC000016901748	220195431	/nfs/dbraw/zinc/19/54/31/220195431.db2.gz	IMEUEPNJKJTTMC-CYBMUJFWSA-N	-1	3	357.322	2.058	10	5		FEBEHM
Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-]	ZINC000253353451	549682404	/nfs/dbraw/zinc/68/24/04/549682404.db2.gz	UYEQJLBCYMJAKS-KGLIPLIRSA-N	-1	3	355.460	2.219	10	5		FEBEHM
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc([N+](=O)[O-])c1	ZINC000177808753	327546329	/nfs/dbraw/zinc/54/63/29/327546329.db2.gz	WPYCLQGUTDRABZ-OAHLLOKOSA-N	-1	3	353.334	2.360	10	5		FEBEHM
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1	ZINC000190650817	328222275	/nfs/dbraw/zinc/22/22/75/328222275.db2.gz	VKWKHSYSSYXINJ-OAHLLOKOSA-N	-1	3	370.409	2.290	10	5		FEBEHM
CN(c1nc[n-]c(=NNc2ccccc2)c1[N+](=O)[O-])C1CCN(C)CC1	ZINC000040624728	205074352	/nfs/dbraw/zinc/07/43/52/205074352.db2.gz	AJEUOHLMPXSALG-UHFFFAOYSA-N	-1	3	357.418	2.354	10	5		FEBEHM
Cc1cccc(Nc2[n-]cnc(=NN3CCN(C)CC3)c2[N+](=O)[O-])c1C	ZINC000040620397	205073836	/nfs/dbraw/zinc/07/38/36/205073836.db2.gz	AZFHQHKXGIRYOF-UHFFFAOYSA-N	-1	3	357.418	2.320	10	5		FEBEHM
Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)c2ccccc2)c1[N+](=O)[O-]	ZINC000189986944	328180941	/nfs/dbraw/zinc/18/09/41/328180941.db2.gz	YNZKYXIZNQNFNA-CQSZACIVSA-N	-1	3	350.396	2.224	10	5		FEBEHM
CN(C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1	ZINC000194337096	672756620	/nfs/dbraw/zinc/75/66/20/672756620.db2.gz	BHRQSNZFODCNMF-AWEZNQCLSA-N	-1	3	367.402	2.315	10	5		FEBEHM
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1	ZINC000190645664	328221793	/nfs/dbraw/zinc/22/17/93/328221793.db2.gz	KUIOOBMZENKQPL-OAHLLOKOSA-N	-1	3	370.409	2.290	10	5		FEBEHM
CC(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000133635193	326612280	/nfs/dbraw/zinc/61/22/80/326612280.db2.gz	KGQSCWDTNKLUOH-UHFFFAOYSA-N	-1	3	354.306	2.117	10	5		FEBEHM
Cc1cc(C)cc(Nc2[n-]cnc(=NN3CCN(C)CC3)c2[N+](=O)[O-])c1	ZINC000040582978	205072964	/nfs/dbraw/zinc/07/29/64/205072964.db2.gz	KXOKASRJSPGTNY-UHFFFAOYSA-N	-1	3	357.418	2.320	10	5		FEBEHM
CC(C)N1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1	ZINC000173884856	327291549	/nfs/dbraw/zinc/29/15/49/327291549.db2.gz	QTWNPHMLRKSMJE-GWCFXTLKSA-N	-1	3	361.851	2.255	10	5		FEBEHM
CCc1ccc(Nc2[n-]cnc(=NN3CCN(C)CC3)c2[N+](=O)[O-])cc1	ZINC000040587271	205072982	/nfs/dbraw/zinc/07/29/82/205072982.db2.gz	KTXONVITTGDHBT-UHFFFAOYSA-N	-1	3	357.418	2.265	10	5		FEBEHM
CC(C)N1C[C@H](C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000246229538	549085121	/nfs/dbraw/zinc/08/51/21/549085121.db2.gz	QTWNPHMLRKSMJE-GXFFZTMASA-N	-1	3	361.851	2.255	10	5		FEBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@H]2C)c1C	ZINC000246966363	549253234	/nfs/dbraw/zinc/25/32/34/549253234.db2.gz	IVVZMHMRWXTVFU-OCCSQVGLSA-N	-1	3	355.460	2.219	10	5		FEBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@H]2C)c1C	ZINC000246966389	549252935	/nfs/dbraw/zinc/25/29/35/549252935.db2.gz	IVVZMHMRWXTVFU-TZMCWYRMSA-N	-1	3	355.460	2.219	10	5		FEBEHM
CC(C)N1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000246475279	549141902	/nfs/dbraw/zinc/14/19/02/549141902.db2.gz	WMHWBQOZUCOQFK-ZYHUDNBSSA-N	-1	3	361.851	2.255	10	5		FEBEHM
O=c1[n-]nc2n1-c1c(cc(NCc3ccco3)c(Cl)c1[N+](=O)[O-])OC2	ZINC000008705166	207242469	/nfs/dbraw/zinc/24/24/69/207242469.db2.gz	UTTJNAKZUOSYRO-UHFFFAOYSA-N	-1	3	363.717	2.220	10	5		FEBEHM
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000190645749	328221522	/nfs/dbraw/zinc/22/15/22/328221522.db2.gz	DKIWKKBNAKRUGV-HNNXBMFYSA-N	-1	3	370.409	2.290	10	5		FEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccccc2)c(Cl)c1	ZINC000102888524	543084154	/nfs/dbraw/zinc/08/41/54/543084154.db2.gz	VOJKTQFEFNTKIP-CYBMUJFWSA-N	-1	3	356.787	2.260	10	5		FEBEHM
CC(C)N1C[C@H](C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000246217682	549082029	/nfs/dbraw/zinc/08/20/29/549082029.db2.gz	PRPWOFLRZGPKHD-CMPLNLGQSA-N	-1	3	361.851	2.255	10	5		FEBEHM
CCN(c1ccccc1)c1[n-]cnc(=NN2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000040573329	208257540	/nfs/dbraw/zinc/25/75/40/208257540.db2.gz	WNPNJQVWLJYLSN-UHFFFAOYSA-N	-1	3	357.418	2.117	10	5		FEBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)c2ccccc2)c1C	ZINC000158435559	326895776	/nfs/dbraw/zinc/89/57/76/326895776.db2.gz	QDLIKUPEVXIHQL-CQSZACIVSA-N	-1	3	350.396	2.224	10	5		FEBEHM
O=c1[n-]c(=O)c2nc3c(Br)ccc(Br)c3nc2[nH]1	ZINC000016386064	211161357	/nfs/dbraw/zinc/16/13/57/211161357.db2.gz	HFGVVPSXXNPFRM-UHFFFAOYSA-N	-1	3	371.976	2.097	10	5		FEBEHM
Nc1nc(COC(=O)c2ccccc2)nc([N-]c2ccc([N+](=O)[O-])cc2)n1	ZINC000103241524	222328241	/nfs/dbraw/zinc/32/82/41/222328241.db2.gz	FCEVUUVDNFQZSJ-UHFFFAOYSA-N	-1	3	366.337	2.463	10	5		FEBEHM
Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-]	ZINC000190026496	328183268	/nfs/dbraw/zinc/18/32/68/328183268.db2.gz	UYEQJLBCYMJAKS-KBPBESRZSA-N	-1	3	355.460	2.219	10	5		FEBEHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000053993768	540563988	/nfs/dbraw/zinc/56/39/88/540563988.db2.gz	WYQSSNQCRGUSTQ-OAHLLOKOSA-N	-1	3	364.379	2.178	10	5		FEBEHM
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-]	ZINC000190026479	328183264	/nfs/dbraw/zinc/18/32/64/328183264.db2.gz	UYEQJLBCYMJAKS-UONOGXRCSA-N	-1	3	355.460	2.219	10	5		FEBEHM
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000190583481	328217694	/nfs/dbraw/zinc/21/76/94/328217694.db2.gz	UXKCWQLXQHGJKN-OAHLLOKOSA-N	-1	3	370.409	2.290	10	5		FEBEHM
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1	ZINC000190645642	328221851	/nfs/dbraw/zinc/22/18/51/328221851.db2.gz	KUIOOBMZENKQPL-HNNXBMFYSA-N	-1	3	370.409	2.290	10	5		FEBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@H]2C)cc1C	ZINC000246096294	549050779	/nfs/dbraw/zinc/05/07/79/549050779.db2.gz	HBERFADJPQEAFA-ZIAGYGMSSA-N	-1	3	355.460	2.219	10	5		FEBEHM
CCOC(=O)C([O-])=Cc1cc(NC(=O)OC(C)(C)C)ncc1[N+](=O)[O-]	ZINC000143231192	544420802	/nfs/dbraw/zinc/42/08/02/544420802.db2.gz	PTFOXLGBIOZQOH-UHFFFAOYSA-N	-1	3	353.331	2.012	10	5		FEBEHM
CC(C)N1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000173882783	327291213	/nfs/dbraw/zinc/29/12/13/327291213.db2.gz	WMHWBQOZUCOQFK-PWSUYJOCSA-N	-1	3	361.851	2.255	10	5		FEBEHM
CCN(CC)S(=O)(=O)c1ccc([N-]c2cc(C)n(C)n2)c([N+](=O)[O-])c1	ZINC000092826158	542889750	/nfs/dbraw/zinc/88/97/50/542889750.db2.gz	VNSYJKBVFXZFNN-UHFFFAOYSA-N	-1	3	367.431	2.411	10	5		FEBEHM
CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000098117568	543021906	/nfs/dbraw/zinc/02/19/06/543021906.db2.gz	VWGHUHQXHVGZFL-GFCCVEGCSA-N	-1	3	355.441	2.238	10	5		FEBEHM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@H]2C)cc1C	ZINC000246096288	549051522	/nfs/dbraw/zinc/05/15/22/549051522.db2.gz	HBERFADJPQEAFA-KGLIPLIRSA-N	-1	3	355.460	2.219	10	5		FEBEHM
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000190583464	328217743	/nfs/dbraw/zinc/21/77/43/328217743.db2.gz	UXKCWQLXQHGJKN-HNNXBMFYSA-N	-1	3	370.409	2.290	10	5		FEBEHM
C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000173791501	546286242	/nfs/dbraw/zinc/28/62/42/546286242.db2.gz	SWKNFATUERNKRC-CYBMUJFWSA-N	-1	3	350.396	2.478	10	5		FEBEHM
CC(C)N1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000246229544	549085108	/nfs/dbraw/zinc/08/51/08/549085108.db2.gz	QTWNPHMLRKSMJE-ZWNOBZJWSA-N	-1	3	361.851	2.255	10	5		FEBEHM
C[C@@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000180829545	672418924	/nfs/dbraw/zinc/41/89/24/672418924.db2.gz	PKVOLCXKMYAOTI-LBPRGKRZSA-N	-1	3	369.468	2.455	10	5		FEBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CN(C)C)c1ccccc1	ZINC000046033935	540238276	/nfs/dbraw/zinc/23/82/76/540238276.db2.gz	DTVQVEDQAFIEDE-HNNXBMFYSA-N	-1	3	363.439	2.484	10	5		FEBEHM
CN(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000098117567	543022048	/nfs/dbraw/zinc/02/20/48/543022048.db2.gz	VWGHUHQXHVGZFL-LBPRGKRZSA-N	-1	3	355.441	2.238	10	5		FEBEHM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@@H]2C)c1C	ZINC000121068672	326310641	/nfs/dbraw/zinc/31/06/41/326310641.db2.gz	IVVZMHMRWXTVFU-GXTWGEPZSA-N	-1	3	355.460	2.219	10	5		FEBEHM
CN(C)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1	ZINC000194337111	672756560	/nfs/dbraw/zinc/75/65/60/672756560.db2.gz	BHRQSNZFODCNMF-CQSZACIVSA-N	-1	3	367.402	2.315	10	5		FEBEHM
CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1	ZINC000190650795	328222221	/nfs/dbraw/zinc/22/22/21/328222221.db2.gz	VKWKHSYSSYXINJ-HNNXBMFYSA-N	-1	3	370.409	2.290	10	5		FEBEHM
CC(C)N1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000173884846	327291466	/nfs/dbraw/zinc/29/14/66/327291466.db2.gz	QTWNPHMLRKSMJE-MFKMUULPSA-N	-1	3	361.851	2.255	10	5		FEBEHM
Cc1cnn(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1	ZINC000176719058	546479810	/nfs/dbraw/zinc/47/98/10/546479810.db2.gz	NYGZTXBCMXGRTH-UHFFFAOYSA-N	-1	3	358.807	2.040	10	5		FEBEHM