smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157063056	524202530	/nfs/dbraw/zinc/20/25/30/524202530.db2.gz	ZBUNWQPSRKMLBK-SNVBAGLBSA-N	-1	1	369.378	1.701	10	5		FDBEMM
CC(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000133676017	173271521	/nfs/dbraw/zinc/27/15/21/173271521.db2.gz	RSVWJPUFZSQFER-UHFFFAOYSA-N	-1	1	365.205	1.861	10	5		FDBEMM
CC(C)(C)OC(=O)[C@H]1CNCCN1c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000095935485	534947805	/nfs/dbraw/zinc/94/78/05/534947805.db2.gz	JWOGAFLLVAZSCJ-CYBMUJFWSA-N	-1	1	351.359	1.413	10	5		FDBEMM
COc1ccccc1Oc1nc[n-]c(=NN2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000040623868	205074429	/nfs/dbraw/zinc/07/44/29/205074429.db2.gz	XHTVORQDUONXBE-UHFFFAOYSA-N	-1	1	360.374	1.760	10	5		FDBEMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2ncnn2C1	ZINC000113298456	524668058	/nfs/dbraw/zinc/66/80/58/524668058.db2.gz	OIOQZVVFXLJUDF-MRVPVSSYSA-N	-1	1	357.779	1.133	10	5		FDBEMM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000177001197	525217764	/nfs/dbraw/zinc/21/77/64/525217764.db2.gz	PXNNQRQFEKGOEY-SNVBAGLBSA-N	-1	1	371.806	1.962	10	5		FDBEMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2ncnn2C1	ZINC000113299226	524667107	/nfs/dbraw/zinc/66/71/07/524667107.db2.gz	XJRVHPWCCWKFMI-SECBINFHSA-N	-1	1	357.779	1.133	10	5		FDBEMM
CC(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000185929773	536221744	/nfs/dbraw/zinc/22/17/44/536221744.db2.gz	XBWWXKMHISYUFU-UHFFFAOYSA-N	-1	1	365.205	1.861	10	5		FDBEMM
C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1	ZINC000262894865	536931384	/nfs/dbraw/zinc/93/13/84/536931384.db2.gz	HINZUCUPZCVONU-CYBMUJFWSA-N	-1	1	371.777	1.106	10	5		FDBEMM
O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1[nH]nc2c1CCCC2	ZINC000119319328	671672964	/nfs/dbraw/zinc/67/29/64/671672964.db2.gz	MSBCRSXJVIAUTA-UHFFFAOYSA-N	-1	1	368.346	1.455	10	5		FDBEMM
CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2	ZINC000181727810	525907394	/nfs/dbraw/zinc/90/73/94/525907394.db2.gz	VXVILXCDBCZLPX-SECBINFHSA-N	-1	1	371.444	1.665	10	5		FDBEMM
CCn1cc(CN2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cn1	ZINC000187075944	536254156	/nfs/dbraw/zinc/25/41/56/536254156.db2.gz	DWAMMUVERRYJTF-UHFFFAOYSA-N	-1	1	374.401	1.260	10	5		FDBEMM
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ncn[n-]1	ZINC000026263748	519111447	/nfs/dbraw/zinc/11/14/47/519111447.db2.gz	NNOWOIOCTDMBOV-LLVKDONJSA-N	-1	1	366.765	1.181	10	5		FDBEMM
C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1	ZINC000262894872	536931676	/nfs/dbraw/zinc/93/16/76/536931676.db2.gz	HINZUCUPZCVONU-ZDUSSCGKSA-N	-1	1	371.777	1.106	10	5		FDBEMM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1[nH]nc2c1CCCC2	ZINC000121062185	671699426	/nfs/dbraw/zinc/69/94/26/671699426.db2.gz	BOUCKNFZZWUSDN-UHFFFAOYSA-N	-1	1	364.383	1.457	10	5		FDBEMM
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1cccc([N+](=O)[O-])c1	ZINC000177792125	174157407	/nfs/dbraw/zinc/15/74/07/174157407.db2.gz	PQYOOEWUIRDLBB-GFCCVEGCSA-N	-1	1	367.383	1.977	10	5		FDBEMM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2	ZINC000159379659	524656096	/nfs/dbraw/zinc/65/60/96/524656096.db2.gz	DQAZTGGXKDHVTQ-SECBINFHSA-N	-1	1	371.444	1.665	10	5		FDBEMM
CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)C1	ZINC000262854826	536921397	/nfs/dbraw/zinc/92/13/97/536921397.db2.gz	XVURFOQNQZWVAZ-UHFFFAOYSA-N	-1	1	361.358	1.138	10	5		FDBEMM
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)C1	ZINC000262854826	536921399	/nfs/dbraw/zinc/92/13/99/536921399.db2.gz	XVURFOQNQZWVAZ-UHFFFAOYSA-N	-1	1	361.358	1.138	10	5		FDBEMM
O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000005891052	518358483	/nfs/dbraw/zinc/35/84/83/518358483.db2.gz	APWLZWLNASMREA-MRVPVSSYSA-N	-1	1	354.793	1.177	10	5		FDBEMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2ncnn2C1	ZINC000113298460	524667428	/nfs/dbraw/zinc/66/74/28/524667428.db2.gz	OIOQZVVFXLJUDF-QMMMGPOBSA-N	-1	1	357.779	1.133	10	5		FDBEMM
CC(C)(C)OC(=O)[C@@H]1CNCCN1c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000095935484	132216021	/nfs/dbraw/zinc/21/60/21/132216021.db2.gz	JWOGAFLLVAZSCJ-ZDUSSCGKSA-N	-1	1	351.359	1.413	10	5		FDBEMM
C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000134252120	173320966	/nfs/dbraw/zinc/32/09/66/173320966.db2.gz	JQXQJEFJKDRWJM-IONNQARKSA-N	-1	1	365.205	1.813	10	5		FDBEMM
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ncn[n-]1	ZINC000026263755	519111948	/nfs/dbraw/zinc/11/19/48/519111948.db2.gz	NNOWOIOCTDMBOV-NSHDSACASA-N	-1	1	366.765	1.181	10	5		FDBEMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2ncnn2C1	ZINC000113299228	524666945	/nfs/dbraw/zinc/66/69/45/524666945.db2.gz	XJRVHPWCCWKFMI-VIFPVBQESA-N	-1	1	357.779	1.133	10	5		FDBEMM
CC[C@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1cccc([N+](=O)[O-])c1	ZINC000155210969	525783138	/nfs/dbraw/zinc/78/31/38/525783138.db2.gz	HLRWCFBXSSIDQQ-ZDUSSCGKSA-N	-1	1	367.383	1.977	10	5		FDBEMM
C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000134252162	173321130	/nfs/dbraw/zinc/32/11/30/173321130.db2.gz	JQXQJEFJKDRWJM-CBAPKCEASA-N	-1	1	365.205	1.813	10	5		FDBEMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCn2ncnc21	ZINC000176749311	174086129	/nfs/dbraw/zinc/08/61/29/174086129.db2.gz	HCYQSMKGBCSKPP-SECBINFHSA-N	-1	1	357.779	1.653	10	5		FDBEMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCn2ncnc21	ZINC000176750079	174086553	/nfs/dbraw/zinc/08/65/53/174086553.db2.gz	GFQOHKAIKDORFN-VIFPVBQESA-N	-1	1	357.779	1.653	10	5		FDBEMM
O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1[nH]nc2c1CCCC2	ZINC000123759777	671729717	/nfs/dbraw/zinc/72/97/17/671729717.db2.gz	ZHJDTXAOHKUNHV-UHFFFAOYSA-N	-1	1	368.346	1.455	10	5		FDBEMM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2	ZINC000159379814	524656637	/nfs/dbraw/zinc/65/66/37/524656637.db2.gz	DQAZTGGXKDHVTQ-VIFPVBQESA-N	-1	1	371.444	1.665	10	5		FDBEMM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1[nH]nc2c1CCCC2	ZINC000192483123	672355109	/nfs/dbraw/zinc/35/51/09/672355109.db2.gz	HSYYHBXOHIYYCI-UHFFFAOYSA-N	-1	1	350.356	1.315	10	5		FDBEMM
O=C([O-])[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCOCC1	ZINC000262965516	178836916	/nfs/dbraw/zinc/83/69/16/178836916.db2.gz	ODIWHBHDUOPFCA-GFCCVEGCSA-N	-1	1	362.342	1.328	10	5		FDBEMM
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1	ZINC000193592623	178170833	/nfs/dbraw/zinc/17/08/33/178170833.db2.gz	OBBAPYXJPBPZJE-GFCCVEGCSA-N	-1	1	360.374	1.456	10	5		FDBEMM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157062919	524202720	/nfs/dbraw/zinc/20/27/20/524202720.db2.gz	ZBUNWQPSRKMLBK-JTQLQIEISA-N	-1	1	369.378	1.701	10	5		FDBEMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2nc3ccccc3o2)CC1	ZINC000172411439	524219515	/nfs/dbraw/zinc/21/95/15/524219515.db2.gz	AYVUFBLHOAMUIK-UHFFFAOYSA-N	-1	1	369.337	1.799	10	5		FDBEMM
CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1cccc([N+](=O)[O-])c1	ZINC000177792111	174157876	/nfs/dbraw/zinc/15/78/76/174157876.db2.gz	PQYOOEWUIRDLBB-LBPRGKRZSA-N	-1	1	367.383	1.977	10	5		FDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000193674788	178175301	/nfs/dbraw/zinc/17/53/01/178175301.db2.gz	VLZGLXZAGSACLH-LBPRGKRZSA-N	-1	1	372.385	1.991	10	5		FDBEMM
Cc1ncc(CN2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)s1	ZINC000111622632	524313705	/nfs/dbraw/zinc/31/37/05/524313705.db2.gz	SCCAHJGVCAMSTH-UHFFFAOYSA-N	-1	1	363.399	1.418	10	5		FDBEMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCn2ncnc21	ZINC000176748075	174086782	/nfs/dbraw/zinc/08/67/82/174086782.db2.gz	FHOUAAAESSDIEP-SECBINFHSA-N	-1	1	357.779	1.653	10	5		FDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000193674776	178175102	/nfs/dbraw/zinc/17/51/02/178175102.db2.gz	VLZGLXZAGSACLH-GFCCVEGCSA-N	-1	1	372.385	1.991	10	5		FDBEMM
Cc1nn(C)c(C)c1CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1	ZINC000193587651	178170936	/nfs/dbraw/zinc/17/09/36/178170936.db2.gz	PNFPDFOPHRLFBY-UHFFFAOYSA-N	-1	1	374.401	1.004	10	5		FDBEMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCOCC1	ZINC000101571200	172335216	/nfs/dbraw/zinc/33/52/16/172335216.db2.gz	XAUPPYRQAISHQW-JTQLQIEISA-N	-1	1	363.823	1.247	10	5		FDBEMM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCC2	ZINC000123740639	671729695	/nfs/dbraw/zinc/72/96/95/671729695.db2.gz	BHHWEPJMZBHRPW-UHFFFAOYSA-N	-1	1	364.383	1.624	10	5		FDBEMM
O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000005891072	204229592	/nfs/dbraw/zinc/22/95/92/204229592.db2.gz	APWLZWLNASMREA-QMMMGPOBSA-N	-1	1	354.793	1.177	10	5		FDBEMM
Cn1c2ccccc2s/c1=N\[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000019926383	518840092	/nfs/dbraw/zinc/84/00/92/518840092.db2.gz	XZNOOMINRWSBHO-PFONDFGASA-N	-1	1	364.408	1.942	10	5		FDBEMM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000177002814	525217025	/nfs/dbraw/zinc/21/70/25/525217025.db2.gz	BPSNAWNZFDYMDS-SNVBAGLBSA-N	-1	1	371.806	1.962	10	5		FDBEMM
COCCN(CCOC)c1ncnc([N-]c2ccc(C)cn2)c1[N+](=O)[O-]	ZINC000040618356	205074970	/nfs/dbraw/zinc/07/49/70/205074970.db2.gz	HXAGQHHCEOYADV-UHFFFAOYSA-N	-1	1	362.390	1.931	10	5		FDBEMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCn2ncnc21	ZINC000176750063	174086273	/nfs/dbraw/zinc/08/62/73/174086273.db2.gz	GFQOHKAIKDORFN-SECBINFHSA-N	-1	1	357.779	1.653	10	5		FDBEMM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000177001182	525217959	/nfs/dbraw/zinc/21/79/59/525217959.db2.gz	PXNNQRQFEKGOEY-JTQLQIEISA-N	-1	1	371.806	1.962	10	5		FDBEMM
CN1CCN(N=c2nc[n-]c(Nc3ccc(Cl)cn3)c2[N+](=O)[O-])CC1	ZINC000040623520	208258508	/nfs/dbraw/zinc/25/85/08/208258508.db2.gz	HBGAIQXNXVHKSJ-UHFFFAOYSA-N	-1	1	364.797	1.751	10	5		FDBEMM
CCn1cc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cn1	ZINC000109663140	526158106	/nfs/dbraw/zinc/15/81/06/526158106.db2.gz	RUIBSJDFXSNKQR-UHFFFAOYSA-N	-1	1	374.401	1.260	10	5		FDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1CC(O)C1	ZINC000091524372	671511416	/nfs/dbraw/zinc/51/14/16/671511416.db2.gz	XRHZRSYJVNNGLF-UHFFFAOYSA-N	-1	1	365.205	1.407	10	5		FDBEMM
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1	ZINC000193592637	178171470	/nfs/dbraw/zinc/17/14/70/178171470.db2.gz	OBBAPYXJPBPZJE-LBPRGKRZSA-N	-1	1	360.374	1.456	10	5		FDBEMM
CN1CCN(N=c2nc[n-]c(Nc3cccnc3Cl)c2[N+](=O)[O-])CC1	ZINC000040623862	208258803	/nfs/dbraw/zinc/25/88/03/208258803.db2.gz	KOJZATLYEIVDHL-UHFFFAOYSA-N	-1	1	364.797	1.751	10	5		FDBEMM
COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1	ZINC000174003292	258316947	/nfs/dbraw/zinc/31/69/47/258316947.db2.gz	RIIVHOBGWHOLHY-YPMHNXCESA-N	-1	1	357.432	1.610	10	5		FDBEMM
Cc1cc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCC3)ccc1[N+](=O)[O-]	ZINC000115925046	671655395	/nfs/dbraw/zinc/65/53/95/671655395.db2.gz	VPWIXNKMFDPRRR-UHFFFAOYSA-N	-1	1	364.383	1.624	10	5		FDBEMM
COc1ccc(Oc2nc[n-]c(=NN3CCN(C)CC3)c2[N+](=O)[O-])cc1	ZINC000040623871	208258645	/nfs/dbraw/zinc/25/86/45/208258645.db2.gz	ZBPWSMFIFZUUSA-UHFFFAOYSA-N	-1	1	360.374	1.760	10	5		FDBEMM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC2	ZINC000114874685	524902877	/nfs/dbraw/zinc/90/28/77/524902877.db2.gz	VJEWLNZGZXRXBF-VIFPVBQESA-N	-1	1	369.378	1.181	10	5		FDBEMM
Cc1ncc(CN2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)s1	ZINC000193572378	178168671	/nfs/dbraw/zinc/16/86/71/178168671.db2.gz	AESQXKAOMKDTAK-UHFFFAOYSA-N	-1	1	363.399	1.418	10	5		FDBEMM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc(C)c(C)c(=O)[n-]2)n1	ZINC000009822434	207287377	/nfs/dbraw/zinc/28/73/77/207287377.db2.gz	UCLVVFDFZNHQBV-UHFFFAOYSA-N	-1	1	358.314	1.634	10	5		FDBEMM
Cn1cc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1	ZINC000102661835	172353682	/nfs/dbraw/zinc/35/36/82/172353682.db2.gz	CKJMCEZIVXHUFD-UHFFFAOYSA-N	-1	1	358.807	1.893	10	5		FDBEMM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC2	ZINC000114874683	524902946	/nfs/dbraw/zinc/90/29/46/524902946.db2.gz	VJEWLNZGZXRXBF-SECBINFHSA-N	-1	1	369.378	1.181	10	5		FDBEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000262845016	536917574	/nfs/dbraw/zinc/91/75/74/536917574.db2.gz	VMYISKPRALCYLN-UHFFFAOYSA-N	-1	1	363.370	1.358	10	5		FDBEMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCOCC1	ZINC000101571201	172335937	/nfs/dbraw/zinc/33/59/37/172335937.db2.gz	XAUPPYRQAISHQW-SNVBAGLBSA-N	-1	1	363.823	1.247	10	5		FDBEMM
C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000134252097	173321171	/nfs/dbraw/zinc/32/11/71/173321171.db2.gz	JQXQJEFJKDRWJM-VXNVDRBHSA-N	-1	1	365.205	1.813	10	5		FDBEMM
C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000134252139	173321201	/nfs/dbraw/zinc/32/12/01/173321201.db2.gz	JQXQJEFJKDRWJM-APPZFPTMSA-N	-1	1	365.205	1.813	10	5		FDBEMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCn2ncnc21	ZINC000176749327	174086190	/nfs/dbraw/zinc/08/61/90/174086190.db2.gz	HCYQSMKGBCSKPP-VIFPVBQESA-N	-1	1	357.779	1.653	10	5		FDBEMM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2	ZINC000114874707	524902495	/nfs/dbraw/zinc/90/24/95/524902495.db2.gz	HHJZZIYVCJBWPF-QMMMGPOBSA-N	-1	1	357.417	1.104	10	5		FDBEMM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2	ZINC000114874705	524902606	/nfs/dbraw/zinc/90/26/06/524902606.db2.gz	HHJZZIYVCJBWPF-MRVPVSSYSA-N	-1	1	357.417	1.104	10	5		FDBEMM
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1	ZINC000116977473	525263259	/nfs/dbraw/zinc/26/32/59/525263259.db2.gz	XNBLBKBBPNARIJ-GFCCVEGCSA-N	-1	1	360.374	1.456	10	5		FDBEMM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000177003193	525220349	/nfs/dbraw/zinc/22/03/49/525220349.db2.gz	GGYMEIPAGRMASW-SNVBAGLBSA-N	-1	1	355.351	1.447	10	5		FDBEMM
COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000174003304	258316859	/nfs/dbraw/zinc/31/68/59/258316859.db2.gz	RIIVHOBGWHOLHY-AAEUAGOBSA-N	-1	1	357.432	1.610	10	5		FDBEMM
CCCc1[nH]nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000262091081	672724679	/nfs/dbraw/zinc/72/46/79/672724679.db2.gz	DAONYCLBDJWPIC-RNFRBKRXSA-N	-1	1	364.280	1.606	10	5		FDBEMM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000177002798	525217079	/nfs/dbraw/zinc/21/70/79/525217079.db2.gz	BPSNAWNZFDYMDS-JTQLQIEISA-N	-1	1	371.806	1.962	10	5		FDBEMM
Cn1cc(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1	ZINC000102661818	172353909	/nfs/dbraw/zinc/35/39/09/172353909.db2.gz	FWFDNIPBKREQPS-UHFFFAOYSA-N	-1	1	358.807	1.893	10	5		FDBEMM
Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1	ZINC000115713693	525051291	/nfs/dbraw/zinc/05/12/91/525051291.db2.gz	KYFRYKAPROWPMZ-UHFFFAOYSA-N	-1	1	374.401	1.004	10	5		FDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2nc3ccccc3o2)CC1	ZINC000193605008	537252481	/nfs/dbraw/zinc/25/24/81/537252481.db2.gz	RLPNPLXXWSSTEC-UHFFFAOYSA-N	-1	1	369.337	1.799	10	5		FDBEMM
C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nnc2n1CCCC2	ZINC000121709830	524337203	/nfs/dbraw/zinc/33/72/03/524337203.db2.gz	PRYNTFCYBBUQKK-SECBINFHSA-N	-1	1	369.378	1.701	10	5		FDBEMM
C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nnc2n1CCCC2	ZINC000121709671	524337548	/nfs/dbraw/zinc/33/75/48/524337548.db2.gz	PRYNTFCYBBUQKK-VIFPVBQESA-N	-1	1	369.378	1.701	10	5		FDBEMM
CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2	ZINC000181727831	525907102	/nfs/dbraw/zinc/90/71/02/525907102.db2.gz	VXVILXCDBCZLPX-VIFPVBQESA-N	-1	1	371.444	1.665	10	5		FDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1CC(CO)C1	ZINC000705099324	885811377	/nfs/dbraw/zinc/81/13/77/885811377.db2.gz	HSCXZMBBGZRIKV-UHFFFAOYSA-N	-1	1	365.205	1.407	10	5		FDBEMM
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1	ZINC000116977475	525263708	/nfs/dbraw/zinc/26/37/08/525263708.db2.gz	XNBLBKBBPNARIJ-LBPRGKRZSA-N	-1	1	360.374	1.456	10	5		FDBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2-n2cncn2)s1	ZINC000066000533	522935200	/nfs/dbraw/zinc/93/52/00/522935200.db2.gz	XCPWQKUJLQECOQ-UHFFFAOYSA-N	-1	1	366.384	1.111	10	5		FDBEMM
O=C([O-])[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCOCC1	ZINC000262965517	536949395	/nfs/dbraw/zinc/94/93/95/536949395.db2.gz	ODIWHBHDUOPFCA-LBPRGKRZSA-N	-1	1	362.342	1.328	10	5		FDBEMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCn2ncnc21	ZINC000176748090	174086573	/nfs/dbraw/zinc/08/65/73/174086573.db2.gz	FHOUAAAESSDIEP-VIFPVBQESA-N	-1	1	357.779	1.653	10	5		FDBEMM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000177003177	525220320	/nfs/dbraw/zinc/22/03/20/525220320.db2.gz	GGYMEIPAGRMASW-JTQLQIEISA-N	-1	1	355.351	1.447	10	5		FDBEMM