smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000548558204	302309537	/nfs/dbraw/zinc/30/95/37/302309537.db2.gz	NGGCMWYCEDYFGP-MUWHJKNJSA-N	-2	1	338.363	0.549	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000578154232	438901529	/nfs/dbraw/zinc/90/15/29/438901529.db2.gz	JHLGVPJMJWOVAY-MRVPVSSYSA-N	-2	1	332.338	0.343	20	5		ECBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cnoc2)c1-c1nnn[n-]1	ZINC000823647567	587736227	/nfs/dbraw/zinc/73/62/27/587736227.db2.gz	MQJWXWXAQYLYJH-UHFFFAOYSA-N	-2	1	337.277	0.564	20	5		ECBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cnoc2)c1-c1nn[n-]n1	ZINC000823647567	587736228	/nfs/dbraw/zinc/73/62/28/587736228.db2.gz	MQJWXWXAQYLYJH-UHFFFAOYSA-N	-2	1	337.277	0.564	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])n1	ZINC000833683432	588558582	/nfs/dbraw/zinc/55/85/82/588558582.db2.gz	PCWBIDZDLGOESH-MRVPVSSYSA-N	-2	1	347.353	0.232	20	5		ECBDML
O=C([O-])[C@@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOC1	ZINC000316965323	201069004	/nfs/dbraw/zinc/06/90/04/201069004.db2.gz	FHHBFNOJFIEAJB-LLVKDONJSA-N	-2	1	334.281	0.256	20	5		ECBDML
CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000340541168	297507316	/nfs/dbraw/zinc/50/73/16/297507316.db2.gz	JFZGRORUNNLOHL-IONNQARKSA-N	-2	1	334.354	0.589	20	5		ECBDML
CC[C@@H](CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000516627612	438916890	/nfs/dbraw/zinc/91/68/90/438916890.db2.gz	OAMQDYZZMRYMBV-QMMMGPOBSA-N	-2	1	334.354	0.590	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000570772927	439448590	/nfs/dbraw/zinc/44/85/90/439448590.db2.gz	DBBCNXMGIDKVRN-JOYOIKCWSA-N	-2	1	346.365	0.733	20	5		ECBDML
COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776625384	579286525	/nfs/dbraw/zinc/28/65/25/579286525.db2.gz	GXHAEQYONWJQCU-SSDOTTSWSA-N	-2	1	338.725	0.626	20	5		ECBDML
O=C([O-])NC1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1	ZINC000832318306	588478712	/nfs/dbraw/zinc/47/87/12/588478712.db2.gz	LTBQZWQKNFNEBR-UHFFFAOYSA-N	-2	1	344.349	0.847	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000548555124	302309072	/nfs/dbraw/zinc/30/90/72/302309072.db2.gz	WOCWAOMCNRMJOJ-MRVPVSSYSA-N	-2	1	334.354	0.590	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]Cc2ccoc2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000594719910	439595070	/nfs/dbraw/zinc/59/50/70/439595070.db2.gz	LBINMCXCURLUTM-UHFFFAOYSA-N	-2	1	344.305	0.581	20	5		ECBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000776504869	579282667	/nfs/dbraw/zinc/28/26/67/579282667.db2.gz	WIFBFAQLNTWZSF-XCBNKYQSSA-N	-2	1	348.308	0.502	20	5		ECBDML
CCN(CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)[O-]	ZINC000827130506	588101114	/nfs/dbraw/zinc/10/11/14/588101114.db2.gz	ZEZCZNQVMWGETE-UHFFFAOYSA-N	-2	1	332.338	0.658	20	5		ECBDML
O=C([O-])N1CCCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000832008775	588462491	/nfs/dbraw/zinc/46/24/91/588462491.db2.gz	BUXWUQISRNHUIB-SECBINFHSA-N	-2	1	344.349	0.801	20	5		ECBDML
O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000834078714	588593255	/nfs/dbraw/zinc/59/32/55/588593255.db2.gz	UCCZMNCXGKAZIG-ZETCQYMHSA-N	-2	1	335.363	0.935	20	5		ECBDML
O=C([O-])N1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1	ZINC000738641522	603315969	/nfs/dbraw/zinc/31/59/69/603315969.db2.gz	VXTFXZAXINCGQP-UHFFFAOYSA-N	-2	1	330.322	0.411	20	5		ECBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)s1	ZINC000532395357	420580907	/nfs/dbraw/zinc/58/09/07/420580907.db2.gz	MCIZWZCLJRRXPO-UHFFFAOYSA-N	-2	1	344.334	0.465	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])n1	ZINC000547938665	302277788	/nfs/dbraw/zinc/27/77/88/302277788.db2.gz	FLVGGBISZUNFIL-VIFPVBQESA-N	-2	1	348.381	0.979	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548545268	302308306	/nfs/dbraw/zinc/30/83/06/302308306.db2.gz	LKNAARGEBWYTGI-UHFFFAOYSA-N	-2	1	348.381	0.981	20	5		ECBDML
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000274990528	436906009	/nfs/dbraw/zinc/90/60/09/436906009.db2.gz	KPRFFROSGJCMFX-SECBINFHSA-N	-2	1	348.308	0.835	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000570772928	322698986	/nfs/dbraw/zinc/69/89/86/322698986.db2.gz	DBBCNXMGIDKVRN-SKDRFNHKSA-N	-2	1	346.365	0.733	20	5		ECBDML
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[n-]n1	ZINC000826500865	588064353	/nfs/dbraw/zinc/06/43/53/588064353.db2.gz	PARHWNNQQWQKMM-UHFFFAOYSA-N	-2	1	336.293	0.299	20	5		ECBDML
O=C([O-])N(CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1	ZINC000831830693	588453059	/nfs/dbraw/zinc/45/30/59/588453059.db2.gz	RAIAWBHLDCUANP-UHFFFAOYSA-N	-2	1	344.349	0.801	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c([N+](=O)[O-])n1	ZINC000614352537	439774666	/nfs/dbraw/zinc/77/46/66/439774666.db2.gz	KZSANUAJMRQKMT-UHFFFAOYSA-N	-2	1	334.354	0.590	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)c([N+](=O)[O-])n1	ZINC000548867690	302331978	/nfs/dbraw/zinc/33/19/78/302331978.db2.gz	WBFXKSLNTLLQSB-GMSGAONNSA-N	-2	1	346.365	0.589	20	5		ECBDML
CCOC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000290970947	437547933	/nfs/dbraw/zinc/54/79/33/437547933.db2.gz	OQUSYPYCTUXCRC-MRVPVSSYSA-N	-2	1	336.297	0.502	20	5		ECBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])o1	ZINC000833323570	588534579	/nfs/dbraw/zinc/53/45/79/588534579.db2.gz	OEVQYIJNZOYMAS-UHFFFAOYSA-N	-2	1	328.262	0.586	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000594720546	439594594	/nfs/dbraw/zinc/59/45/94/439594594.db2.gz	PFKUKVOAGCXZTJ-SNVBAGLBSA-N	-2	1	338.317	0.292	20	5		ECBDML
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCSC[C@@H]1c1nn[n-]n1	ZINC000788147064	578829169	/nfs/dbraw/zinc/82/91/69/578829169.db2.gz	GNBIQWCYEMYRJE-SECBINFHSA-N	-2	1	336.333	0.744	20	5		ECBDML
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCSC[C@@H]1c1nn[n-]n1	ZINC000763009196	579553103	/nfs/dbraw/zinc/55/31/03/579553103.db2.gz	WATJMOQZMPIRIR-SECBINFHSA-N	-2	1	336.333	0.744	20	5		ECBDML
O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1	ZINC000834150020	588884972	/nfs/dbraw/zinc/88/49/72/588884972.db2.gz	KQOGFZJNZLDAKR-QMMMGPOBSA-N	-2	1	330.322	0.314	20	5		ECBDML
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1	ZINC000826498824	588063885	/nfs/dbraw/zinc/06/38/85/588063885.db2.gz	LFRDKTVLLJUHHZ-UHFFFAOYSA-N	-2	1	347.316	0.971	20	5		ECBDML
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000846002310	589180534	/nfs/dbraw/zinc/18/05/34/589180534.db2.gz	MULROZMTVQPKIA-UHFFFAOYSA-N	-2	1	337.741	0.594	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547964076	302278632	/nfs/dbraw/zinc/27/86/32/302278632.db2.gz	ARMAXLWPDGRVNG-MRVPVSSYSA-N	-2	1	348.381	0.979	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)c([N+](=O)[O-])n1	ZINC000565831140	438981742	/nfs/dbraw/zinc/98/17/42/438981742.db2.gz	FWLYZTWDJIHGTE-NSHDSACASA-N	-2	1	332.338	0.343	20	5		ECBDML
CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000556702189	322192724	/nfs/dbraw/zinc/19/27/24/322192724.db2.gz	JYDQZLOQXJKIDF-QMMMGPOBSA-N	-2	1	334.354	0.733	20	5		ECBDML
O=C([O-])Cc1nc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n[nH]1	ZINC000739911324	579721821	/nfs/dbraw/zinc/72/18/21/579721821.db2.gz	ZVHHAQKMSHSICH-UHFFFAOYSA-N	-2	1	335.232	0.321	20	5		ECBDML
O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740506790	579750905	/nfs/dbraw/zinc/75/09/05/579750905.db2.gz	NWFAKZMYACFGKU-SSDOTTSWSA-N	-2	1	333.297	0.765	20	5		ECBDML
CCOC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000811673793	587223353	/nfs/dbraw/zinc/22/33/53/587223353.db2.gz	OQUSYPYCTUXCRC-QMMMGPOBSA-N	-2	1	336.297	0.502	20	5		ECBDML
O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000831987153	588461122	/nfs/dbraw/zinc/46/11/22/588461122.db2.gz	VPXARQXQSIWEHF-QMMMGPOBSA-N	-2	1	330.322	0.411	20	5		ECBDML
O=C(CNC(=O)c1ncccc1[O-])Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000361663791	300113451	/nfs/dbraw/zinc/11/34/51/300113451.db2.gz	WWAYWYMLEFVPCA-UHFFFAOYSA-N	-2	1	332.272	0.770	20	5		ECBDML
CCOC(=O)c1n[n-]c(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1	ZINC000615917877	439808378	/nfs/dbraw/zinc/80/83/78/439808378.db2.gz	OVCWXQNTZCPEGX-UHFFFAOYSA-N	-2	1	335.276	0.525	20	5		ECBDML
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1	ZINC000825325231	587932544	/nfs/dbraw/zinc/93/25/44/587932544.db2.gz	JQWAEXSHFBLBLO-XCBNKYQSSA-N	-2	1	340.292	0.193	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])n1	ZINC000833683435	588558626	/nfs/dbraw/zinc/55/86/26/588558626.db2.gz	PCWBIDZDLGOESH-QMMMGPOBSA-N	-2	1	347.353	0.232	20	5		ECBDML
C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000263491429	436968610	/nfs/dbraw/zinc/96/86/10/436968610.db2.gz	OXYAWLVYZSESHA-JTQLQIEISA-N	-2	1	338.725	0.362	20	5		ECBDML
CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1	ZINC000436747433	438423769	/nfs/dbraw/zinc/42/37/69/438423769.db2.gz	ANDJEWMYHGGTJM-UHFFFAOYSA-N	-2	1	327.278	0.074	20	5		ECBDML
CS(=O)(=O)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])[n-]1	ZINC000436747433	438423771	/nfs/dbraw/zinc/42/37/71/438423771.db2.gz	ANDJEWMYHGGTJM-UHFFFAOYSA-N	-2	1	327.278	0.074	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C(CC)(CC)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000578068266	438892296	/nfs/dbraw/zinc/89/22/96/438892296.db2.gz	WTRDTOUZZUOKRI-UHFFFAOYSA-N	-2	1	334.354	0.733	20	5		ECBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCC1	ZINC000596028245	438916086	/nfs/dbraw/zinc/91/60/86/438916086.db2.gz	YJTYCHUPPRVEKB-VIFPVBQESA-N	-2	1	329.334	0.769	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547894584	322142183	/nfs/dbraw/zinc/14/21/83/322142183.db2.gz	BBZQKSHAAIAFFU-QMMMGPOBSA-N	-2	1	334.354	0.590	20	5		ECBDML
O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1	ZINC000834149392	588885044	/nfs/dbraw/zinc/88/50/44/588885044.db2.gz	FLENQAYSQDHEQF-SSDOTTSWSA-N	-2	1	335.363	0.981	20	5		ECBDML
C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000263498282	751127037	/nfs/dbraw/zinc/12/70/37/751127037.db2.gz	RWBSVNPRFHGTMK-SNVBAGLBSA-N	-2	1	338.725	0.362	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])n1	ZINC000596026765	438916109	/nfs/dbraw/zinc/91/61/09/438916109.db2.gz	MMGDBMKNEZIECU-SECBINFHSA-N	-2	1	346.365	0.590	20	5		ECBDML
O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])COC1	ZINC000368411318	321726642	/nfs/dbraw/zinc/72/66/42/321726642.db2.gz	NROICYJOGFVJGH-UHFFFAOYSA-N	-2	1	336.709	0.380	20	5		ECBDML
O=C([O-])N1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000740506793	579750912	/nfs/dbraw/zinc/75/09/12/579750912.db2.gz	NWFAKZMYACFGKU-ZETCQYMHSA-N	-2	1	333.297	0.765	20	5		ECBDML
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000831589996	588435878	/nfs/dbraw/zinc/43/58/78/588435878.db2.gz	DPILSOHOSUROBY-NSHDSACASA-N	-2	1	333.322	0.148	20	5		ECBDML
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000299218128	265351726	/nfs/dbraw/zinc/35/17/26/265351726.db2.gz	VACDYQVDPZTSKF-YLWLKBPMSA-N	-2	1	338.725	0.361	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547894583	322142068	/nfs/dbraw/zinc/14/20/68/322142068.db2.gz	BBZQKSHAAIAFFU-MRVPVSSYSA-N	-2	1	334.354	0.590	20	5		ECBDML
O=C([O-])C1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1	ZINC000575853031	322797080	/nfs/dbraw/zinc/79/70/80/322797080.db2.gz	XJWZYGFRWQLARA-UHFFFAOYSA-N	-2	1	329.334	0.912	20	5		ECBDML
O=c1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[n-]o1	ZINC000791411511	578889760	/nfs/dbraw/zinc/88/97/60/578889760.db2.gz	KNZSYVIDYWMNDX-UHFFFAOYSA-N	-2	1	348.724	0.446	20	5		ECBDML
O=C([O-])N1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000831852178	588454525	/nfs/dbraw/zinc/45/45/25/588454525.db2.gz	LQAKITDVZXLAGO-UHFFFAOYSA-N	-2	1	335.725	0.889	20	5		ECBDML
O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000831986593	588461187	/nfs/dbraw/zinc/46/11/87/588461187.db2.gz	SCYAZIOQWARRMV-SECBINFHSA-N	-2	1	344.349	0.658	20	5		ECBDML
CC(C)OC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000863416166	590012212	/nfs/dbraw/zinc/01/22/12/590012212.db2.gz	CTEDQBHXTZIZAH-ZETCQYMHSA-N	-2	1	338.363	0.813	20	5		ECBDML
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CCO[N-]C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000846003111	589180777	/nfs/dbraw/zinc/18/07/77/589180777.db2.gz	VNHPLSNDOULKED-UHFFFAOYSA-N	-2	1	337.741	0.594	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])n1	ZINC000547939682	302277796	/nfs/dbraw/zinc/27/77/96/302277796.db2.gz	QWNBTEZYEOPOTI-VIFPVBQESA-N	-2	1	332.338	0.343	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)CC)c([N+](=O)[O-])n1	ZINC000576703974	438794657	/nfs/dbraw/zinc/79/46/57/438794657.db2.gz	XRKQPJCHWFXBSE-VIFPVBQESA-N	-2	1	348.381	0.979	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000570772925	322698834	/nfs/dbraw/zinc/69/88/34/322698834.db2.gz	DBBCNXMGIDKVRN-BXKDBHETSA-N	-2	1	346.365	0.733	20	5		ECBDML
O=C([O-])COCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776584061	579284861	/nfs/dbraw/zinc/28/48/61/579284861.db2.gz	OHHRMMCKUTVRRL-UHFFFAOYSA-N	-2	1	338.725	0.628	20	5		ECBDML
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1	ZINC000825325230	587932535	/nfs/dbraw/zinc/93/25/35/587932535.db2.gz	JQWAEXSHFBLBLO-OIBJUYFYSA-N	-2	1	340.292	0.193	20	5		ECBDML
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000827379791	588116702	/nfs/dbraw/zinc/11/67/02/588116702.db2.gz	KWNNOQQZABYMQO-JTQLQIEISA-N	-2	1	337.332	0.921	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])n1	ZINC000548590379	302311855	/nfs/dbraw/zinc/31/18/55/302311855.db2.gz	WNSXGCMABOEOGW-UHFFFAOYSA-N	-2	1	346.365	0.735	20	5		ECBDML
C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274962496	436900740	/nfs/dbraw/zinc/90/07/40/436900740.db2.gz	VDAPOJKPUUWPOG-CDUCUWFYSA-N	-2	1	338.725	0.361	20	5		ECBDML
CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000824203368	587860521	/nfs/dbraw/zinc/86/05/21/587860521.db2.gz	INCCKZSXENTXGP-SECBINFHSA-N	-2	1	346.365	0.950	20	5		ECBDML
O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000831987152	588460982	/nfs/dbraw/zinc/46/09/82/588460982.db2.gz	VPXARQXQSIWEHF-MRVPVSSYSA-N	-2	1	330.322	0.411	20	5		ECBDML
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274962494	263531752	/nfs/dbraw/zinc/53/17/52/263531752.db2.gz	VDAPOJKPUUWPOG-ANLVUFKYSA-N	-2	1	338.725	0.361	20	5		ECBDML
C/C=C/C[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000566185140	439018794	/nfs/dbraw/zinc/01/87/94/439018794.db2.gz	YRNMXTAPDOHIGC-RYEJSQLPSA-N	-2	1	332.338	0.509	20	5		ECBDML
O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000614327764	439774142	/nfs/dbraw/zinc/77/41/42/439774142.db2.gz	YSCFFVWRRAEPMH-RXMQYKEDSA-N	-3	1	338.319	0.253	20	5		ECBDML
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1	ZINC000825325232	587932372	/nfs/dbraw/zinc/93/23/72/587932372.db2.gz	JQWAEXSHFBLBLO-XVKPBYJWSA-N	-2	1	340.292	0.193	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@](C)(CC)CC(=O)[O-])c([N+](=O)[O-])n1	ZINC000829834725	588344164	/nfs/dbraw/zinc/34/41/64/588344164.db2.gz	QURIZHKDYWCKBB-LLVKDONJSA-N	-2	1	334.354	0.733	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000340457465	437651344	/nfs/dbraw/zinc/65/13/44/437651344.db2.gz	WTKIGAWNVRXTIC-UHFFFAOYSA-N	-2	1	334.354	0.733	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])n1	ZINC000570763174	322698668	/nfs/dbraw/zinc/69/86/68/322698668.db2.gz	WVOFHWKLWUTQJH-SFYZADRCSA-N	-2	1	332.338	0.343	20	5		ECBDML
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000282939726	264071705	/nfs/dbraw/zinc/07/17/05/264071705.db2.gz	PLKBQESOAUZMSY-MRVPVSSYSA-N	-2	1	333.304	0.732	20	5		ECBDML
C[C@@](CO)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC(=O)[O-]	ZINC000548685370	302320367	/nfs/dbraw/zinc/32/03/67/302320367.db2.gz	BKVPEILJQKASEE-JTQLQIEISA-N	-2	1	338.363	0.408	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])n1	ZINC000517025544	438945079	/nfs/dbraw/zinc/94/50/79/438945079.db2.gz	WZCRMOSPXKDCSL-PSASIEDQSA-N	-2	1	348.381	0.835	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548266900	322152612	/nfs/dbraw/zinc/15/26/12/322152612.db2.gz	KYAVQTLWIGVOED-QMMMGPOBSA-N	-2	1	348.381	0.979	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C)c([N+](=O)[O-])n1	ZINC000579105456	322885935	/nfs/dbraw/zinc/88/59/35/322885935.db2.gz	APOQQVSZVFOUSI-LBPRGKRZSA-N	-2	1	348.381	0.979	20	5		ECBDML
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O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000832491660	588486050	/nfs/dbraw/zinc/48/60/50/588486050.db2.gz	QQBZHCNXXPBHMD-BDAKNGLRSA-N	-2	1	344.349	0.704	20	5		ECBDML
O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000832491663	588486109	/nfs/dbraw/zinc/48/61/09/588486109.db2.gz	QQBZHCNXXPBHMD-RKDXNWHRSA-N	-2	1	344.349	0.704	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000547964077	302278839	/nfs/dbraw/zinc/27/88/39/302278839.db2.gz	ARMAXLWPDGRVNG-QMMMGPOBSA-N	-2	1	348.381	0.979	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000548555127	302309221	/nfs/dbraw/zinc/30/92/21/302309221.db2.gz	WOCWAOMCNRMJOJ-QMMMGPOBSA-N	-2	1	334.354	0.590	20	5		ECBDML
CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000578066659	322854250	/nfs/dbraw/zinc/85/42/50/322854250.db2.gz	PHVQUVCCWIODPS-ZETCQYMHSA-N	-2	1	336.347	0.757	20	5		ECBDML
O=C([O-])N1CCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000832008917	588462496	/nfs/dbraw/zinc/46/24/96/588462496.db2.gz	DDRGQBMRRGMGGX-VIFPVBQESA-N	-2	1	344.349	0.801	20	5		ECBDML
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CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c([N+](=O)[O-])n1	ZINC000547882218	302274621	/nfs/dbraw/zinc/27/46/21/302274621.db2.gz	UBKZBGLYCZJOHH-QMMMGPOBSA-N	-2	1	334.354	0.589	20	5		ECBDML
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O=c1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[n-]o1	ZINC000352907706	438489378	/nfs/dbraw/zinc/48/93/78/438489378.db2.gz	FWLYNWNYYBHQFB-UHFFFAOYSA-N	-2	1	348.724	0.446	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)CC)c([N+](=O)[O-])n1	ZINC000576703972	438795780	/nfs/dbraw/zinc/79/57/80/438795780.db2.gz	XRKQPJCHWFXBSE-SECBINFHSA-N	-2	1	348.381	0.979	20	5		ECBDML
CCOC(=O)c1n[n-]c(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000617840222	439984808	/nfs/dbraw/zinc/98/48/08/439984808.db2.gz	AABAKNTVZWEDSB-UHFFFAOYSA-N	-2	1	335.276	0.525	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@](C)(CC)CC(=O)[O-])c([N+](=O)[O-])n1	ZINC000829834726	588344107	/nfs/dbraw/zinc/34/41/07/588344107.db2.gz	QURIZHKDYWCKBB-NSHDSACASA-N	-2	1	334.354	0.733	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000530367428	302005785	/nfs/dbraw/zinc/00/57/85/302005785.db2.gz	MWGFSRHQINQCQT-VIFPVBQESA-N	-2	1	346.365	0.733	20	5		ECBDML
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C[C@](CO)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC(=O)[O-]	ZINC000548685371	302320137	/nfs/dbraw/zinc/32/01/37/302320137.db2.gz	BKVPEILJQKASEE-SNVBAGLBSA-N	-2	1	338.363	0.408	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])n1	ZINC000517025545	438946445	/nfs/dbraw/zinc/94/64/45/438946445.db2.gz	WZCRMOSPXKDCSL-SCZZXKLOSA-N	-2	1	348.381	0.835	20	5		ECBDML
CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000614361775	439774909	/nfs/dbraw/zinc/77/49/09/439774909.db2.gz	VFLMLCDXPKWKIN-RKDXNWHRSA-N	-2	1	348.381	0.979	20	5		ECBDML
O=C([O-])NC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1	ZINC000740611780	579755436	/nfs/dbraw/zinc/75/54/36/579755436.db2.gz	GGFNNUUARHTCDW-ZETCQYMHSA-N	-2	1	335.363	0.981	20	5		ECBDML
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000831591063	588435949	/nfs/dbraw/zinc/43/59/49/588435949.db2.gz	PLCKCQSUEMHYNE-JTQLQIEISA-N	-2	1	338.363	0.814	20	5		ECBDML
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000275100864	436923575	/nfs/dbraw/zinc/92/35/75/436923575.db2.gz	QLFVTSCPGADATJ-ZETCQYMHSA-N	-2	1	338.725	0.362	20	5		ECBDML
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CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000578066658	322854246	/nfs/dbraw/zinc/85/42/46/322854246.db2.gz	PHVQUVCCWIODPS-SSDOTTSWSA-N	-2	1	336.347	0.757	20	5		ECBDML
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000274938024	263527704	/nfs/dbraw/zinc/52/77/04/263527704.db2.gz	QLFVTSCPGADATJ-SSDOTTSWSA-N	-2	1	338.725	0.362	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000424391690	437925816	/nfs/dbraw/zinc/92/58/16/437925816.db2.gz	NKASBEFBTQYWAV-UHFFFAOYSA-N	-2	1	334.354	0.590	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])n1	ZINC000548266963	322152666	/nfs/dbraw/zinc/15/26/66/322152666.db2.gz	MWSMMZFURJTSMV-MRVPVSSYSA-N	-2	1	334.354	0.590	20	5		ECBDML
CC(C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])NC(=O)[O-]	ZINC000824124373	587855787	/nfs/dbraw/zinc/85/57/87/587855787.db2.gz	WUSVNRAWBXKQNU-QMMMGPOBSA-N	-2	1	332.338	0.560	20	5		ECBDML
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1	ZINC000825325229	587932579	/nfs/dbraw/zinc/93/25/79/587932579.db2.gz	JQWAEXSHFBLBLO-GMSGAONNSA-N	-2	1	340.292	0.193	20	5		ECBDML
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CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000548558203	302309691	/nfs/dbraw/zinc/30/96/91/302309691.db2.gz	NGGCMWYCEDYFGP-IMTBSYHQSA-N	-2	1	338.363	0.549	20	5		ECBDML
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CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000614361769	439775122	/nfs/dbraw/zinc/77/51/22/439775122.db2.gz	VFLMLCDXPKWKIN-DTWKUNHWSA-N	-2	1	348.381	0.979	20	5		ECBDML
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000827378878	588116498	/nfs/dbraw/zinc/11/64/98/588116498.db2.gz	BINGTWMZTBRSOU-JTQLQIEISA-N	-2	1	337.332	0.921	20	5		ECBDML
CC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000863410338	590011985	/nfs/dbraw/zinc/01/19/85/590011985.db2.gz	BDJOSUTZRHNFDU-QMMMGPOBSA-N	-2	1	334.281	0.445	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]Cc2ncccc2O)c([N+](=O)[O-])n1	ZINC000360022771	437504611	/nfs/dbraw/zinc/50/46/11/437504611.db2.gz	ITPLYSWYSNESAG-UHFFFAOYSA-N	-2	1	327.322	0.390	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000340453383	437650135	/nfs/dbraw/zinc/65/01/35/437650135.db2.gz	GAFNIMCWEQLDPS-UHFFFAOYSA-N	-2	1	334.354	0.735	20	5		ECBDML
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000340541166	437685800	/nfs/dbraw/zinc/68/58/00/437685800.db2.gz	JFZGRORUNNLOHL-CBAPKCEASA-N	-2	1	334.354	0.589	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])n1	ZINC000594720549	439594785	/nfs/dbraw/zinc/59/47/85/439594785.db2.gz	PHUMQYZWCKHGOP-VIFPVBQESA-N	-2	1	346.365	0.590	20	5		ECBDML
CCOC(=O)c1nc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])n[n-]1	ZINC000615916570	439808336	/nfs/dbraw/zinc/80/83/36/439808336.db2.gz	DLCMZSKUBJYUMG-UHFFFAOYSA-N	-2	1	335.276	0.525	20	5		ECBDML
CCOC(=O)c1n[n-]c(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])n1	ZINC000615916570	439808337	/nfs/dbraw/zinc/80/83/37/439808337.db2.gz	DLCMZSKUBJYUMG-UHFFFAOYSA-N	-2	1	335.276	0.525	20	5		ECBDML
O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000832491662	588486089	/nfs/dbraw/zinc/48/60/89/588486089.db2.gz	QQBZHCNXXPBHMD-IUCAKERBSA-N	-2	1	344.349	0.704	20	5		ECBDML
O=C([O-])c1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc([N+](=O)[O-])c1	ZINC000738673084	579644678	/nfs/dbraw/zinc/64/46/78/579644678.db2.gz	PEUMWVCSOYYHCS-SNVBAGLBSA-N	-2	1	348.275	0.020	20	5		ECBDML
O=c1[n-]c(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n[nH]1	ZINC000823665599	587737190	/nfs/dbraw/zinc/73/71/90/587737190.db2.gz	RRSWPAMXVQMOJP-UHFFFAOYSA-N	-2	1	332.284	0.038	20	5		ECBDML
O=c1[n-]c(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n[nH]1	ZINC000823665599	587737192	/nfs/dbraw/zinc/73/71/92/587737192.db2.gz	RRSWPAMXVQMOJP-UHFFFAOYSA-N	-2	1	332.284	0.038	20	5		ECBDML
O=c1[n-]c(CCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n[nH]1	ZINC000826501844	588064654	/nfs/dbraw/zinc/06/46/54/588064654.db2.gz	JLMJUDVXPNSCKZ-UHFFFAOYSA-N	-2	1	331.296	0.643	20	5		ECBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCOC1	ZINC000776504871	579282644	/nfs/dbraw/zinc/28/26/44/579282644.db2.gz	WIFBFAQLNTWZSF-XVKPBYJWSA-N	-2	1	348.308	0.502	20	5		ECBDML
COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776625388	579286470	/nfs/dbraw/zinc/28/64/70/579286470.db2.gz	GXHAEQYONWJQCU-ZETCQYMHSA-N	-2	1	338.725	0.626	20	5		ECBDML
O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1	ZINC000832433950	588483464	/nfs/dbraw/zinc/48/34/64/588483464.db2.gz	ZMLSBTDCYNWFOF-MRVPVSSYSA-N	-2	1	330.322	0.314	20	5		ECBDML
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1CCC(=O)[O-]	ZINC000833622166	588553174	/nfs/dbraw/zinc/55/31/74/588553174.db2.gz	MIECXDGMRHDEHA-SNVBAGLBSA-N	-2	1	337.332	0.921	20	5		ECBDML
O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000834078713	588593232	/nfs/dbraw/zinc/59/32/32/588593232.db2.gz	UCCZMNCXGKAZIG-SSDOTTSWSA-N	-2	1	335.363	0.935	20	5		ECBDML
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275129013	263553530	/nfs/dbraw/zinc/55/35/30/263553530.db2.gz	VACDYQVDPZTSKF-XRGYYRRGSA-N	-2	1	338.725	0.361	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])n1	ZINC000361987220	300150780	/nfs/dbraw/zinc/15/07/80/300150780.db2.gz	SSLQCRVQFIJFRG-UHFFFAOYSA-N	-2	1	346.365	0.733	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])n1	ZINC000547938664	302277547	/nfs/dbraw/zinc/27/75/47/302277547.db2.gz	FLVGGBISZUNFIL-SECBINFHSA-N	-2	1	348.381	0.979	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C)c([N+](=O)[O-])n1	ZINC000579105449	438981688	/nfs/dbraw/zinc/98/16/88/438981688.db2.gz	APOQQVSZVFOUSI-GFCCVEGCSA-N	-2	1	348.381	0.979	20	5		ECBDML
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000282939730	264071669	/nfs/dbraw/zinc/07/16/69/264071669.db2.gz	PLKBQESOAUZMSY-QMMMGPOBSA-N	-2	1	333.304	0.732	20	5		ECBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCOC1	ZINC000548527978	302306638	/nfs/dbraw/zinc/30/66/38/302306638.db2.gz	QTQIJZJYZAAHPN-HZGVNTEJSA-N	-2	1	336.347	0.424	20	5		ECBDML
O=C([O-])CSCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000274980501	436904518	/nfs/dbraw/zinc/90/45/18/436904518.db2.gz	JPILSELWAMMRBK-UHFFFAOYSA-N	-2	1	338.338	0.830	20	5		ECBDML
CCC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000274990531	436906689	/nfs/dbraw/zinc/90/66/89/436906689.db2.gz	KPRFFROSGJCMFX-VIFPVBQESA-N	-2	1	348.308	0.835	20	5		ECBDML
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1	ZINC000436609582	438415362	/nfs/dbraw/zinc/41/53/62/438415362.db2.gz	SGQAKNUNCOELJM-UHFFFAOYSA-N	-2	1	327.278	0.074	20	5		ECBDML
CS(=O)(=O)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[n-]1	ZINC000436609582	438415365	/nfs/dbraw/zinc/41/53/65/438415365.db2.gz	SGQAKNUNCOELJM-UHFFFAOYSA-N	-2	1	327.278	0.074	20	5		ECBDML
C/C=C/C[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000566185142	439020033	/nfs/dbraw/zinc/02/00/33/439020033.db2.gz	YRNMXTAPDOHIGC-WGAJWPLOSA-N	-2	1	332.338	0.509	20	5		ECBDML
Cn1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C(=O)[O-]	ZINC000539841586	322081666	/nfs/dbraw/zinc/08/16/66/322081666.db2.gz	AXCFKCLSIUFNKS-UHFFFAOYSA-N	-2	1	342.289	0.533	20	5		ECBDML
O=C([O-])N[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1	ZINC000834150019	588885125	/nfs/dbraw/zinc/88/51/25/588885125.db2.gz	KQOGFZJNZLDAKR-MRVPVSSYSA-N	-2	1	330.322	0.314	20	5		ECBDML
O=C([O-])NC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1	ZINC000832433951	588483483	/nfs/dbraw/zinc/48/34/83/588483483.db2.gz	ZMLSBTDCYNWFOF-QMMMGPOBSA-N	-2	1	330.322	0.314	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)c([N+](=O)[O-])n1	ZINC000548867698	302331951	/nfs/dbraw/zinc/33/19/51/302331951.db2.gz	WBFXKSLNTLLQSB-XVKPBYJWSA-N	-2	1	346.365	0.589	20	5		ECBDML
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000833626099	588554150	/nfs/dbraw/zinc/55/41/50/588554150.db2.gz	NETJHKLVOIKJCQ-JTQLQIEISA-N	-2	1	337.332	0.921	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c([N+](=O)[O-])n1	ZINC000535496901	302120997	/nfs/dbraw/zinc/12/09/97/302120997.db2.gz	MQEBOWOEHUVIMM-UHFFFAOYSA-N	-2	1	332.338	0.487	20	5		ECBDML
C/C=C\C[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000566185136	322510096	/nfs/dbraw/zinc/51/00/96/322510096.db2.gz	YRNMXTAPDOHIGC-NHLYECAPSA-N	-2	1	332.338	0.509	20	5		ECBDML
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCSC[C@H]1c1nn[n-]n1	ZINC000773161377	579221189	/nfs/dbraw/zinc/22/11/89/579221189.db2.gz	YJCXKNNFILXZNC-VIFPVBQESA-N	-2	1	336.333	0.744	20	5		ECBDML
CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000824203372	587860603	/nfs/dbraw/zinc/86/06/03/587860603.db2.gz	INCCKZSXENTXGP-VIFPVBQESA-N	-2	1	346.365	0.950	20	5		ECBDML
O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000834077820	588593220	/nfs/dbraw/zinc/59/32/20/588593220.db2.gz	KUASGGXZUSWSCV-QMMMGPOBSA-N	-2	1	330.322	0.268	20	5		ECBDML
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000548558202	302309699	/nfs/dbraw/zinc/30/96/99/302309699.db2.gz	NGGCMWYCEDYFGP-HZGVNTEJSA-N	-2	1	338.363	0.549	20	5		ECBDML
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000274898389	436889238	/nfs/dbraw/zinc/88/92/38/436889238.db2.gz	HNJJOVJKNASDQQ-SSDOTTSWSA-N	-2	1	338.725	0.362	20	5		ECBDML
CCCC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000359090211	438356652	/nfs/dbraw/zinc/35/66/52/438356652.db2.gz	SDRGTFSOFWIPEM-MRVPVSSYSA-N	-2	1	334.354	0.733	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000584721704	439611228	/nfs/dbraw/zinc/61/12/28/439611228.db2.gz	WFDWEYJTSFEGPM-DTWKUNHWSA-N	-2	1	346.365	0.733	20	5		ECBDML
O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000618359531	440113183	/nfs/dbraw/zinc/11/31/83/440113183.db2.gz	CTGXWTZUXCUBJO-NSHDSACASA-N	-2	1	341.287	0.728	20	5		ECBDML
CCC[C@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000555460656	322181555	/nfs/dbraw/zinc/18/15/55/322181555.db2.gz	BCHDFADBYJUWOH-MRVPVSSYSA-N	-2	1	334.354	0.590	20	5		ECBDML
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCSC[C@H]1c1nn[n-]n1	ZINC000788147065	578829181	/nfs/dbraw/zinc/82/91/81/578829181.db2.gz	GNBIQWCYEMYRJE-VIFPVBQESA-N	-2	1	336.333	0.744	20	5		ECBDML
O=C([O-])NC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1	ZINC000834156247	588885635	/nfs/dbraw/zinc/88/56/35/588885635.db2.gz	XQRMEYURCRSABE-UHFFFAOYSA-N	-2	1	330.322	0.458	20	5		ECBDML
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000283798412	264153544	/nfs/dbraw/zinc/15/35/44/264153544.db2.gz	WTNGTDSINMKGDX-MRVPVSSYSA-N	-2	1	333.304	0.732	20	5		ECBDML
CO[C@@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])cnc2[O-])s[n-]1	ZINC000338926322	297310065	/nfs/dbraw/zinc/31/00/65/297310065.db2.gz	COKBKXCQZXGNKT-YFKPBYRVSA-N	-2	1	325.306	0.929	20	5		ECBDML
CO[C@@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s[n-]1	ZINC000338926322	297310066	/nfs/dbraw/zinc/31/00/66/297310066.db2.gz	COKBKXCQZXGNKT-YFKPBYRVSA-N	-2	1	325.306	0.929	20	5		ECBDML
CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000340541165	297507102	/nfs/dbraw/zinc/50/71/02/297507102.db2.gz	JFZGRORUNNLOHL-APPZFPTMSA-N	-2	1	334.354	0.589	20	5		ECBDML
COCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000275083667	436920326	/nfs/dbraw/zinc/92/03/26/436920326.db2.gz	NPYAWZPBHXVBMD-QMMMGPOBSA-N	-2	1	336.297	0.502	20	5		ECBDML
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776457329	579281858	/nfs/dbraw/zinc/28/18/58/579281858.db2.gz	ADDWXJHKQTVDCR-QMMMGPOBSA-N	-2	1	338.725	0.362	20	5		ECBDML
O=C([O-])Cc1nc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n[nH]1	ZINC000739911104	579721707	/nfs/dbraw/zinc/72/17/07/579721707.db2.gz	VPYIILXNZPLFNB-UHFFFAOYSA-N	-2	1	349.259	0.364	20	5		ECBDML
O=C([O-])NCC1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1	ZINC000832450807	588484260	/nfs/dbraw/zinc/48/42/60/588484260.db2.gz	FRXZMJITXLAUDU-UHFFFAOYSA-N	-2	1	344.349	0.849	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c([N+](=O)[O-])n1	ZINC000611164808	439676858	/nfs/dbraw/zinc/67/68/58/439676858.db2.gz	GARKSLBSNGTUSR-UHFFFAOYSA-N	-2	1	346.365	0.877	20	5		ECBDML
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O=C([O-])N1CC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000740490240	579749890	/nfs/dbraw/zinc/74/98/90/579749890.db2.gz	UQUALNDOTQXMHI-UHFFFAOYSA-N	-2	1	335.725	0.889	20	5		ECBDML
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)s1	ZINC000826499704	588063878	/nfs/dbraw/zinc/06/38/78/588063878.db2.gz	SYTUEUOLRUMJIK-UHFFFAOYSA-N	-2	1	342.322	0.360	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000359151211	438366976	/nfs/dbraw/zinc/36/69/76/438366976.db2.gz	GCALBNIPUWEMDA-SECBINFHSA-N	-2	1	348.381	0.836	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C2CC2)c([N+](=O)[O-])n1	ZINC000565830939	322480876	/nfs/dbraw/zinc/48/08/76/322480876.db2.gz	FWLYZTWDJIHGTE-LLVKDONJSA-N	-2	1	332.338	0.343	20	5		ECBDML
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000831589995	588435807	/nfs/dbraw/zinc/43/58/07/588435807.db2.gz	DPILSOHOSUROBY-LLVKDONJSA-N	-2	1	333.322	0.148	20	5		ECBDML
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CCn1cc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000593275548	439361078	/nfs/dbraw/zinc/36/10/78/439361078.db2.gz	DKFOWSMGULASTF-VIFPVBQESA-N	-2	1	346.365	0.590	20	5		ECBDML
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CCn1cc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000530367424	302005713	/nfs/dbraw/zinc/00/57/13/302005713.db2.gz	MWGFSRHQINQCQT-SECBINFHSA-N	-2	1	346.365	0.733	20	5		ECBDML
CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000614361773	439774988	/nfs/dbraw/zinc/77/49/88/439774988.db2.gz	VFLMLCDXPKWKIN-IUCAKERBSA-N	-2	1	348.381	0.979	20	5		ECBDML
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCSC[C@@H]1c1nn[n-]n1	ZINC000773161376	579221171	/nfs/dbraw/zinc/22/11/71/579221171.db2.gz	YJCXKNNFILXZNC-SECBINFHSA-N	-2	1	336.333	0.744	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)c([N+](=O)[O-])n1	ZINC000548867695	302332091	/nfs/dbraw/zinc/33/20/91/302332091.db2.gz	WBFXKSLNTLLQSB-OIBJUYFYSA-N	-2	1	346.365	0.589	20	5		ECBDML
COC(=O)CCCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000274979335	436904351	/nfs/dbraw/zinc/90/43/51/436904351.db2.gz	XOHMBQDSUSNMNT-UHFFFAOYSA-N	-2	1	346.317	0.988	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])n1	ZINC000517025546	438945704	/nfs/dbraw/zinc/94/57/04/438945704.db2.gz	WZCRMOSPXKDCSL-WCBMZHEXSA-N	-2	1	348.381	0.835	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c([N+](=O)[O-])n1	ZINC000567046469	322566722	/nfs/dbraw/zinc/56/67/22/322566722.db2.gz	HYOMGRFCWYMRPV-MRVPVSSYSA-N	-2	1	334.354	0.589	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000359151212	299814952	/nfs/dbraw/zinc/81/49/52/299814952.db2.gz	GCALBNIPUWEMDA-VIFPVBQESA-N	-2	1	348.381	0.836	20	5		ECBDML
Cc1onc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1-c1nn[n-]n1	ZINC000826348238	588032123	/nfs/dbraw/zinc/03/21/23/588032123.db2.gz	CJBIJDZNSJYADN-UHFFFAOYSA-N	-2	1	345.275	0.958	20	5		ECBDML
O=C([O-])c1nscc1S(=O)(=O)[N-]N=c1[nH]cccc1[N+](=O)[O-]	ZINC000833345722	588535394	/nfs/dbraw/zinc/53/53/94/588535394.db2.gz	WEVCHWPBKXYNEL-UHFFFAOYSA-N	-2	1	345.318	0.450	20	5		ECBDML
CC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000863410337	590011975	/nfs/dbraw/zinc/01/19/75/590011975.db2.gz	BDJOSUTZRHNFDU-MRVPVSSYSA-N	-2	1	334.281	0.445	20	5		ECBDML
CCCC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000359090213	321584057	/nfs/dbraw/zinc/58/40/57/321584057.db2.gz	SDRGTFSOFWIPEM-QMMMGPOBSA-N	-2	1	334.354	0.733	20	5		ECBDML
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CC(C)c1[nH]nc(C(=O)Nc2n[nH]c(SCCO)n2)c1[N+](=O)[O-]	ZINC000270894182	263283266	/nfs/dbraw/zinc/28/32/66/263283266.db2.gz	QYOFUTLMCKXVMP-UHFFFAOYSA-N	-2	1	341.353	0.896	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])n1	ZINC000547939677	302277695	/nfs/dbraw/zinc/27/76/95/302277695.db2.gz	QWNBTEZYEOPOTI-SECBINFHSA-N	-2	1	332.338	0.343	20	5		ECBDML
COCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000275083659	436920108	/nfs/dbraw/zinc/92/01/08/436920108.db2.gz	NPYAWZPBHXVBMD-MRVPVSSYSA-N	-2	1	336.297	0.502	20	5		ECBDML
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1	ZINC000338115432	437390500	/nfs/dbraw/zinc/39/05/00/437390500.db2.gz	GHKRINLYAXYTEV-UHFFFAOYSA-N	-2	1	327.278	0.074	20	5		ECBDML
CS(=O)(=O)c1nnc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[n-]1	ZINC000338115432	437390506	/nfs/dbraw/zinc/39/05/06/437390506.db2.gz	GHKRINLYAXYTEV-UHFFFAOYSA-N	-2	1	327.278	0.074	20	5		ECBDML
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CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])n1	ZINC000776575069	579284410	/nfs/dbraw/zinc/28/44/10/579284410.db2.gz	NQAKCPQWWISSJL-MRVPVSSYSA-N	-2	1	332.338	0.343	20	5		ECBDML
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000436601922	438416763	/nfs/dbraw/zinc/41/67/63/438416763.db2.gz	DFTGYQKFOHWSSV-UHFFFAOYSA-N	-2	1	327.278	0.074	20	5		ECBDML
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CCC[C@](C)([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000517134013	438951753	/nfs/dbraw/zinc/95/17/53/438951753.db2.gz	KKHNFAAMWCDRGF-NSHDSACASA-N	-2	1	334.354	0.733	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000593275545	439360730	/nfs/dbraw/zinc/36/07/30/439360730.db2.gz	DKFOWSMGULASTF-SECBINFHSA-N	-2	1	346.365	0.590	20	5		ECBDML
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCSC[C@H]1c1nn[n-]n1	ZINC000763009199	579553125	/nfs/dbraw/zinc/55/31/25/579553125.db2.gz	WATJMOQZMPIRIR-VIFPVBQESA-N	-2	1	336.333	0.744	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])n1	ZINC000853068436	589531000	/nfs/dbraw/zinc/53/10/00/589531000.db2.gz	AWLDUSLEPPBHJA-MRVPVSSYSA-N	-2	1	330.322	0.263	20	5		ECBDML
O=C([O-])COCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000547938157	302277671	/nfs/dbraw/zinc/27/76/71/302277671.db2.gz	XCKCSJCMLRQQBV-UHFFFAOYSA-N	-2	1	338.725	0.628	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)c([N+](=O)[O-])n1	ZINC000517027051	438946374	/nfs/dbraw/zinc/94/63/74/438946374.db2.gz	DJMAKYOPPMHATD-UHFFFAOYSA-N	-2	1	332.338	0.487	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000568305749	439236844	/nfs/dbraw/zinc/23/68/44/439236844.db2.gz	JHLGVPJMJWOVAY-QMMMGPOBSA-N	-2	1	332.338	0.343	20	5		ECBDML
CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000614361756	439775062	/nfs/dbraw/zinc/77/50/62/439775062.db2.gz	VFLMLCDXPKWKIN-BDAKNGLRSA-N	-2	1	348.381	0.979	20	5		ECBDML
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CCn1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])n1	ZINC000548263887	302293000	/nfs/dbraw/zinc/29/30/00/302293000.db2.gz	FWRQIPVHQPHLDU-MRVPVSSYSA-N	-2	1	334.354	0.446	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000340522163	437684064	/nfs/dbraw/zinc/68/40/64/437684064.db2.gz	YRVMHADYXHYICW-MRVPVSSYSA-N	-2	1	334.354	0.589	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)c([N+](=O)[O-])n1	ZINC000593274344	439360761	/nfs/dbraw/zinc/36/07/61/439360761.db2.gz	SMNHOEXPVFYDRP-ZETCQYMHSA-N	-2	1	332.338	0.343	20	5		ECBDML
COC(=O)CCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000600660353	439684580	/nfs/dbraw/zinc/68/45/80/439684580.db2.gz	SKSXUJHVUYNQCS-UHFFFAOYSA-N	-2	1	346.317	0.906	20	5		ECBDML
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1CCC(=O)[O-]	ZINC000833622165	588553287	/nfs/dbraw/zinc/55/32/87/588553287.db2.gz	MIECXDGMRHDEHA-JTQLQIEISA-N	-2	1	337.332	0.921	20	5		ECBDML
CO[C@@H](C)c1nc(=NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s[n-]1	ZINC000338927485	297310572	/nfs/dbraw/zinc/31/05/72/297310572.db2.gz	XDJHMLPTQUKFNU-YFKPBYRVSA-N	-2	1	325.306	0.929	20	5		ECBDML
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CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)c([N+](=O)[O-])n1	ZINC000548867696	302331866	/nfs/dbraw/zinc/33/18/66/302331866.db2.gz	WBFXKSLNTLLQSB-XCBNKYQSSA-N	-2	1	346.365	0.589	20	5		ECBDML
O=C([O-])C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000340447648	437648250	/nfs/dbraw/zinc/64/82/50/437648250.db2.gz	DFIQJJNWKBHTIC-UHFFFAOYSA-N	-2	1	339.123	0.720	20	5		ECBDML
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CCn1cc(S(=O)(=O)[N-]C2([C@H](C)C(=O)[O-])CC2)c([N+](=O)[O-])n1	ZINC000593274343	439360395	/nfs/dbraw/zinc/36/03/95/439360395.db2.gz	SMNHOEXPVFYDRP-SSDOTTSWSA-N	-2	1	332.338	0.343	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])n1	ZINC000776575080	579284395	/nfs/dbraw/zinc/28/43/95/579284395.db2.gz	NQAKCPQWWISSJL-QMMMGPOBSA-N	-2	1	332.338	0.343	20	5		ECBDML
Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000777361338	579297195	/nfs/dbraw/zinc/29/71/95/579297195.db2.gz	SCGZNMSLYBXJIO-UHFFFAOYSA-N	-2	1	332.276	0.362	20	5		ECBDML
C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000827378879	588116478	/nfs/dbraw/zinc/11/64/78/588116478.db2.gz	BINGTWMZTBRSOU-SNVBAGLBSA-N	-2	1	337.332	0.921	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-]C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])n1	ZINC000827705539	588136242	/nfs/dbraw/zinc/13/62/42/588136242.db2.gz	BLYIABKQUYCZQK-UHFFFAOYSA-N	-2	1	347.353	0.232	20	5		ECBDML
C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000263498281	751126848	/nfs/dbraw/zinc/12/68/48/751126848.db2.gz	RWBSVNPRFHGTMK-JTQLQIEISA-N	-2	1	338.725	0.362	20	5		ECBDML
C[C@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000299218127	265352284	/nfs/dbraw/zinc/35/22/84/265352284.db2.gz	VACDYQVDPZTSKF-XNCJUZBTSA-N	-2	1	338.725	0.361	20	5		ECBDML
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000340541171	297507175	/nfs/dbraw/zinc/50/71/75/297507175.db2.gz	JFZGRORUNNLOHL-VXNVDRBHSA-N	-2	1	334.354	0.589	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])n1	ZINC000517025547	438945867	/nfs/dbraw/zinc/94/58/67/438945867.db2.gz	WZCRMOSPXKDCSL-WPRPVWTQSA-N	-2	1	348.381	0.835	20	5		ECBDML
CCC[C@@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000555460661	322181460	/nfs/dbraw/zinc/18/14/60/322181460.db2.gz	BCHDFADBYJUWOH-QMMMGPOBSA-N	-2	1	334.354	0.590	20	5		ECBDML
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CS(=O)(=O)c1n[n-]c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1	ZINC000356516319	437776626	/nfs/dbraw/zinc/77/66/26/437776626.db2.gz	SZZAXSCLOCHDSS-UHFFFAOYSA-N	-2	1	327.278	0.074	20	5		ECBDML
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CC[C@H](CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000516627611	438915963	/nfs/dbraw/zinc/91/59/63/438915963.db2.gz	OAMQDYZZMRYMBV-MRVPVSSYSA-N	-2	1	334.354	0.590	20	5		ECBDML
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CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548222155	302290941	/nfs/dbraw/zinc/29/09/41/302290941.db2.gz	KLDFAXPAGCCPHA-QMMMGPOBSA-N	-2	1	338.725	0.626	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000548552136	302308993	/nfs/dbraw/zinc/30/89/93/302308993.db2.gz	XDZOJPHVJAJHFT-QMMMGPOBSA-N	-2	1	334.354	0.733	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000592152065	439167885	/nfs/dbraw/zinc/16/78/85/439167885.db2.gz	OXXXEUDUPJWHFR-SFYZADRCSA-N	-2	1	332.338	0.343	20	5		ECBDML
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CCC[C@@](C)([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000517134009	438953096	/nfs/dbraw/zinc/95/30/96/438953096.db2.gz	KKHNFAAMWCDRGF-LLVKDONJSA-N	-2	1	334.354	0.733	20	5		ECBDML
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CCn1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])n1	ZINC000596026767	438915132	/nfs/dbraw/zinc/91/51/32/438915132.db2.gz	MMGDBMKNEZIECU-VIFPVBQESA-N	-2	1	346.365	0.590	20	5		ECBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000592152064	439167448	/nfs/dbraw/zinc/16/74/48/439167448.db2.gz	OXXXEUDUPJWHFR-JGVFFNPUSA-N	-2	1	332.338	0.343	20	5		ECBDML
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