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)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656928	379655262	/nfs/dbraw/zinc/65/52/62/379655262.db2.gz	YRHSBTHHOMKWGG-SFYZADRCSA-N	-2	0	336.326	-0.779	20	5		EBBDRL
O=C([O-])C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000776442027	583404472	/nfs/dbraw/zinc/40/44/72/583404472.db2.gz	VKCCLFBIJUPZLY-SNVBAGLBSA-N	-2	0	346.317	-0.015	20	5		EBBDRL
O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000832608169	583999453	/nfs/dbraw/zinc/99/94/53/583999453.db2.gz	DUUIIDVEXKAVAA-UHFFFAOYSA-N	-2	0	332.294	-0.158	20	5		EBBDRL
O=C(Oc1ncc(F)cc1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001226752042	811883538	/nfs/dbraw/zinc/88/35/38/811883538.db2.gz	WMQHQPKBFZHCOM-ZCFIWIBFSA-N	-2	0	326.129	-0.496	20	5		EBBDRL
Cc1[nH]c(=O)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001228688333	811994189	/nfs/dbraw/zinc/99/41/89/811994189.db2.gz	IEXYZTTVGWDKAT-GPXNAGAYSA-N	-2	0	344.232	-0.554	20	5		EBBDRL
COc1ccc([N+](=O)[O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001234880748	812447827	/nfs/dbraw/zinc/44/78/27/812447827.db2.gz	GRCAHIWTXZFWEQ-SSDLBLMSSA-N	-2	0	344.232	-0.560	20	5		EBBDRL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000319532225	376152120	/nfs/dbraw/zinc/15/21/20/376152120.db2.gz	OUYPPYANQXIWLU-ZCFIWIBFSA-N	-3	0	336.253	-0.060	20	5		EBBDRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000277686836	379491389	/nfs/dbraw/zinc/49/13/89/379491389.db2.gz	QOBCUXZZMVIKKK-UHFFFAOYSA-N	-2	0	331.306	-0.504	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCCOC2)n1	ZINC000600660322	379655965	/nfs/dbraw/zinc/65/59/65/379655965.db2.gz	RAZOHMPASCQPEN-VXNVDRBHSA-N	-2	0	348.337	-0.514	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCCOC2)n1	ZINC000600660321	379656219	/nfs/dbraw/zinc/65/62/19/379656219.db2.gz	RAZOHMPASCQPEN-IONNQARKSA-N	-2	0	348.337	-0.514	20	5		EBBDRL
C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1O	ZINC000343944235	156192612	/nfs/dbraw/zinc/19/26/12/156192612.db2.gz	VUHONFHPTLNDOX-ZYHUDNBSSA-N	-2	0	339.304	-0.498	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)Oc1nccc([O-])c1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225664450	811823565	/nfs/dbraw/zinc/82/35/65/811823565.db2.gz	OJAVBLFPLVUFMB-SPGJFGJESA-N	-3	0	330.205	-0.863	20	5		EBBDRL
Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c([N+](=O)[O-])n1	ZINC001227225457	811912040	/nfs/dbraw/zinc/91/20/40/811912040.db2.gz	ZLWSMBGBPRJZMM-IMTBSYHQSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cc1ccnc([N+](=O)[O-])c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233554604	812316631	/nfs/dbraw/zinc/31/66/31/812316631.db2.gz	YJORPXMNDLQJHP-POYBYMJQSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
O=[N+]([O-])c1c(NCCOP(=O)([O-])[O-])ncnc1N1CCOCC1	ZINC001168589894	832427702	/nfs/dbraw/zinc/42/77/02/832427702.db2.gz	QCXGNKCNABLPSV-UHFFFAOYSA-N	-2	0	349.240	-0.257	20	5		EBBDRL
O=C([O-])[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000424239075	265053549	/nfs/dbraw/zinc/05/35/49/265053549.db2.gz	JHGIAIRVJMBDCJ-SNVBAGLBSA-N	-2	0	344.301	-0.376	20	5		EBBDRL
O=C([O-])N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000831746474	583991121	/nfs/dbraw/zinc/99/11/21/583991121.db2.gz	ACMDDUIYKJUBGF-MRVPVSSYSA-N	-2	0	344.305	-0.063	20	5		EBBDRL
O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)C1CC1	ZINC000863957274	584381154	/nfs/dbraw/zinc/38/11/54/584381154.db2.gz	VHWAAJSQIUGAIC-SECBINFHSA-N	-2	0	329.290	-0.095	20	5		EBBDRL
COc1ccc([N+](=O)[O-])c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001226448474	811866147	/nfs/dbraw/zinc/86/61/47/811866147.db2.gz	YCQFTKYCSVDGTO-MRVPVSSYSA-N	-2	0	337.177	-0.021	20	5		EBBDRL
Cc1cc([O-])c([N+](=O)[O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001231263574	812284049	/nfs/dbraw/zinc/28/40/49/812284049.db2.gz	LKNOIPJULBQPJN-CDUCUWFYSA-N	-3	0	344.232	-0.554	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])n1	ZINC000600653073	379656099	/nfs/dbraw/zinc/65/60/99/379656099.db2.gz	ZTGQFNWLWWOQJE-BYPYZUCNSA-N	-2	0	328.253	-0.285	20	5		EBBDRL
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000298673648	525070678	/nfs/dbraw/zinc/07/06/78/525070678.db2.gz	VGSXLUQWVDAVMR-ZETCQYMHSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)n1	ZINC000863966125	584382357	/nfs/dbraw/zinc/38/23/57/584382357.db2.gz	XCYWCTFQVWWXTP-UHFFFAOYSA-N	-2	0	332.294	-0.612	20	5		EBBDRL
O=C([O-])C[C@H](C(=O)OCc1ccc([N+](=O)[O-])nc1)[C@H](O)C(=O)[O-]	ZINC001224114897	811746019	/nfs/dbraw/zinc/74/60/19/811746019.db2.gz	QUGPFWRTUACDMB-XVKPBYJWSA-N	-2	0	328.233	-0.431	20	5		EBBDRL
O=C(Oc1cc2n[nH]cc2cc1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001230601234	812204550	/nfs/dbraw/zinc/20/45/50/812204550.db2.gz	LKPLODXREJVCKC-MRVPVSSYSA-N	-2	0	347.176	-0.153	20	5		EBBDRL
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656825	378938549	/nfs/dbraw/zinc/93/85/49/378938549.db2.gz	WIROMZPSINEVLI-SSDOTTSWSA-N	-2	0	334.310	-0.571	20	5		EBBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000275157512	379462131	/nfs/dbraw/zinc/46/21/31/379462131.db2.gz	ZNRXHWXOHYZVTQ-LDWIPMOCSA-N	-2	0	334.306	-0.284	20	5		EBBDRL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000275122713	379462376	/nfs/dbraw/zinc/46/23/76/379462376.db2.gz	UCXAHLPBJUEFGF-MRVPVSSYSA-N	-2	0	345.333	-0.100	20	5		EBBDRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000282070514	379533812	/nfs/dbraw/zinc/53/38/12/379533812.db2.gz	NAJILUQVTMJURU-UHFFFAOYSA-N	-2	0	331.306	-0.504	20	5		EBBDRL
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600664729	379655874	/nfs/dbraw/zinc/65/58/74/379655874.db2.gz	GOGMCQPHHJJKIP-JTQLQIEISA-N	-2	0	336.326	-0.514	20	5		EBBDRL
CN1C[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1=O	ZINC000579244325	380979812	/nfs/dbraw/zinc/97/98/12/380979812.db2.gz	CSZJDEBATSAKRZ-SSDOTTSWSA-N	-2	0	343.317	-0.198	20	5		EBBDRL
O=C([O-])C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548199175	381910497	/nfs/dbraw/zinc/91/04/97/381910497.db2.gz	JXYIANNTIATMPQ-VIFPVBQESA-N	-2	0	332.290	-0.058	20	5		EBBDRL
O=C([O-])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1(=O)=O	ZINC000424246040	265054909	/nfs/dbraw/zinc/05/49/09/265054909.db2.gz	PJFLNSCKLGMUNQ-SNVBAGLBSA-N	-2	0	344.301	-0.376	20	5		EBBDRL
O=C([O-])C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000776442026	583404514	/nfs/dbraw/zinc/40/45/14/583404514.db2.gz	VKCCLFBIJUPZLY-JTQLQIEISA-N	-2	0	346.317	-0.015	20	5		EBBDRL
Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncc1[N+](=O)[O-]	ZINC001225659892	811822326	/nfs/dbraw/zinc/82/23/26/811822326.db2.gz	ZGGOOCDXHKKLIG-LHLIQPBNSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncc1[N+](=O)[O-]	ZINC001226577477	811871329	/nfs/dbraw/zinc/87/13/29/811871329.db2.gz	AIUVZLRALVQNOP-FWOIEVBISA-N	-2	0	344.232	-0.560	20	5		EBBDRL
O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000274900458	304074213	/nfs/dbraw/zinc/07/42/13/304074213.db2.gz	ICKLZNYFYZYYPQ-SECBINFHSA-N	-2	0	332.290	-0.058	20	5		EBBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000274960467	379463198	/nfs/dbraw/zinc/46/31/98/379463198.db2.gz	JCWQLBNWNOOAMA-UHFFFAOYSA-N	-2	0	332.290	-0.104	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCCOC2)n1	ZINC000600660317	379655507	/nfs/dbraw/zinc/65/55/07/379655507.db2.gz	RAZOHMPASCQPEN-APPZFPTMSA-N	-2	0	348.337	-0.514	20	5		EBBDRL
CS(=O)(=O)Cc1noc(=NC(=O)c2cccc([N+](=O)[O-])c2[O-])[n-]1	ZINC000436628609	265241522	/nfs/dbraw/zinc/24/15/22/265241522.db2.gz	IHKBWTOQRHGQFG-UHFFFAOYSA-N	-2	0	342.289	-0.098	20	5		EBBDRL
NC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275035161	303247244	/nfs/dbraw/zinc/24/72/44/303247244.db2.gz	GDPVDCMISWHVLF-SSDOTTSWSA-N	-2	0	349.296	-0.269	20	5		EBBDRL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000816733795	583720633	/nfs/dbraw/zinc/72/06/33/583720633.db2.gz	MEFCFBPIJAQRIN-UHFFFAOYSA-N	-2	0	332.236	-0.438	20	5		EBBDRL
O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000826425863	583901091	/nfs/dbraw/zinc/90/10/91/583901091.db2.gz	WYBAPHUNPBIHRZ-UHFFFAOYSA-N	-2	0	331.252	-0.289	20	5		EBBDRL
O=C([O-])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000826461041	583902720	/nfs/dbraw/zinc/90/27/20/583902720.db2.gz	COAARAPLRWPJOF-UHFFFAOYSA-N	-2	0	328.266	-0.862	20	5		EBBDRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000827524124	583922659	/nfs/dbraw/zinc/92/26/59/583922659.db2.gz	CXXVZFCFMNYREV-ZETCQYMHSA-N	-2	0	332.294	-0.159	20	5		EBBDRL
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831019036	583974642	/nfs/dbraw/zinc/97/46/42/583974642.db2.gz	VJSPNTHKTAAKLZ-QMMMGPOBSA-N	-2	0	346.321	-0.255	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)n1	ZINC000863966042	584382342	/nfs/dbraw/zinc/38/23/42/584382342.db2.gz	UREXMIBFZRGOOL-LLVKDONJSA-N	-2	0	346.321	-0.366	20	5		EBBDRL
Cc1cc([O-])c([N+](=O)[O-])c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001231263575	812284901	/nfs/dbraw/zinc/28/49/01/812284901.db2.gz	LKNOIPJULBQPJN-MLUIRONXSA-N	-3	0	344.232	-0.554	20	5		EBBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-]	ZINC000275135452	379463727	/nfs/dbraw/zinc/46/37/27/379463727.db2.gz	WBAFEDXTTSIVKO-QMMMGPOBSA-N	-2	0	334.306	-0.283	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)C(=O)[O-])n1	ZINC000600650796	379655778	/nfs/dbraw/zinc/65/57/78/379655778.db2.gz	BNWNLEJQSSWPGB-JGVFFNPUSA-N	-2	0	348.337	-0.514	20	5		EBBDRL
CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656929	379655801	/nfs/dbraw/zinc/65/58/01/379655801.db2.gz	YRHSBTHHOMKWGG-YUMQZZPRSA-N	-2	0	336.326	-0.779	20	5		EBBDRL
COc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000274991128	154634099	/nfs/dbraw/zinc/63/40/99/154634099.db2.gz	ZCIMLFGYYAEZEC-ZETCQYMHSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000820281736	583770348	/nfs/dbraw/zinc/77/03/48/583770348.db2.gz	FXUYQKWCRWTYPI-UHFFFAOYSA-N	-2	0	346.263	-0.129	20	5		EBBDRL
O=C(CN(C(=O)[O-])C1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000834001500	584023526	/nfs/dbraw/zinc/02/35/26/584023526.db2.gz	LLJDADVTUGHCNH-UHFFFAOYSA-N	-2	0	344.305	-0.063	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)n1	ZINC000863965292	584382155	/nfs/dbraw/zinc/38/21/55/584382155.db2.gz	IZMXZPOWKRJBEZ-SSDOTTSWSA-N	-2	0	332.294	-0.756	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)Oc1c(O)cccc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226340071	811860807	/nfs/dbraw/zinc/86/08/07/811860807.db2.gz	MTTGLMRQMVUGAK-ANLVUFKYSA-N	-2	0	329.217	-0.258	20	5		EBBDRL
COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncc1[N+](=O)[O-]	ZINC001226577480	811871771	/nfs/dbraw/zinc/87/17/71/811871771.db2.gz	AIUVZLRALVQNOP-RRAGMBSWSA-N	-2	0	344.232	-0.560	20	5		EBBDRL
O=C(Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001230231969	812090729	/nfs/dbraw/zinc/09/07/29/812090729.db2.gz	YSMSDMHKFKJHSB-ZCFIWIBFSA-N	-2	0	348.164	-0.758	20	5		EBBDRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000278789739	380243577	/nfs/dbraw/zinc/24/35/77/380243577.db2.gz	ZQFYNROPNOABSH-UHFFFAOYSA-N	-2	0	331.306	-0.504	20	5		EBBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274953550	381782206	/nfs/dbraw/zinc/78/22/06/381782206.db2.gz	TWTAWQVODMDWLN-SSDOTTSWSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)C1	ZINC000831746791	583991126	/nfs/dbraw/zinc/99/11/26/583991126.db2.gz	CEBWFSUKKWCIOC-ZCFIWIBFSA-N	-2	0	332.294	-0.265	20	5		EBBDRL
O=C([O-])C[C@H](C(=O)Oc1cccc([O-])c1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225626167	811820493	/nfs/dbraw/zinc/82/04/93/811820493.db2.gz	OOUPJXLWUWJNQS-XUOSJQGZSA-N	-3	0	329.217	-0.258	20	5		EBBDRL
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COc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c([N+](=O)[O-])c1	ZINC001225772452	811828167	/nfs/dbraw/zinc/82/81/67/811828167.db2.gz	NIQKKHLHXSYFOS-MRVPVSSYSA-N	-2	0	337.177	-0.021	20	5		EBBDRL
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COc1cc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000863956847	584381085	/nfs/dbraw/zinc/38/10/85/584381085.db2.gz	UNNQFMWJMOBJIU-UHFFFAOYSA-N	-2	0	348.289	-0.491	20	5		EBBDRL
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COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225615196	811820121	/nfs/dbraw/zinc/82/01/21/811820121.db2.gz	HRMTXZQUZJHDGP-SSDOTTSWSA-N	-2	0	337.177	-0.021	20	5		EBBDRL
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COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c([N+](=O)[O-])c1	ZINC000275064733	379463087	/nfs/dbraw/zinc/46/30/87/379463087.db2.gz	KGEPGXAZZBYBHJ-LDWIPMOCSA-N	-2	0	334.306	-0.284	20	5		EBBDRL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000619470863	381189695	/nfs/dbraw/zinc/18/96/95/381189695.db2.gz	DTFQLHGKUYHZDI-UHFFFAOYSA-N	-2	0	348.289	-0.237	20	5		EBBDRL
Cn1c(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000830969322	583973281	/nfs/dbraw/zinc/97/32/81/583973281.db2.gz	UBDDUERKCBMHMH-ZETCQYMHSA-N	-2	0	346.321	-0.255	20	5		EBBDRL
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CC(C)OC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000863416046	584370057	/nfs/dbraw/zinc/37/00/57/584370057.db2.gz	BHSYUZSEIQVNOC-ZETCQYMHSA-N	-2	0	336.326	-0.515	20	5		EBBDRL
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C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C(=O)[O-]	ZINC000824640640	583848090	/nfs/dbraw/zinc/84/80/90/583848090.db2.gz	MRNZGHUPWFKRIA-RXMQYKEDSA-N	-2	0	342.293	-0.474	20	5		EBBDRL
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Cc1ccnc([N+](=O)[O-])c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233554594	812316234	/nfs/dbraw/zinc/31/62/34/812316234.db2.gz	YJORPXMNDLQJHP-HTRCEHHLSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
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COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000264450731	419188101	/nfs/dbraw/zinc/18/81/01/419188101.db2.gz	DSGUJZBQJRUHII-ZETCQYMHSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
Cc1cc([N+](=O)[O-])cnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226764065	811884316	/nfs/dbraw/zinc/88/43/16/811884316.db2.gz	FUHGQMAENYXJFQ-IONNQARKSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cc1cnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001227236623	811912449	/nfs/dbraw/zinc/91/24/49/811912449.db2.gz	JMUPUUJHOXMWRV-IMTBSYHQSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
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COc1ccc([N+](=O)[O-])c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001234880741	812448301	/nfs/dbraw/zinc/44/83/01/812448301.db2.gz	GRCAHIWTXZFWEQ-ANLVUFKYSA-N	-2	0	344.232	-0.560	20	5		EBBDRL
CCC(=O)C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656832	378940531	/nfs/dbraw/zinc/94/05/31/378940531.db2.gz	WIROMZPSINEVLI-ZETCQYMHSA-N	-2	0	334.310	-0.571	20	5		EBBDRL
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831019034	583974633	/nfs/dbraw/zinc/97/46/33/583974633.db2.gz	VJSPNTHKTAAKLZ-MRVPVSSYSA-N	-2	0	346.321	-0.255	20	5		EBBDRL
Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c([N+](=O)[O-])n1	ZINC001227225458	811912459	/nfs/dbraw/zinc/91/24/59/811912459.db2.gz	ZLWSMBGBPRJZMM-MUWHJKNJSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
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COc1ccc([N+](=O)[O-])c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001234880747	812447818	/nfs/dbraw/zinc/44/78/18/812447818.db2.gz	GRCAHIWTXZFWEQ-MLUIRONXSA-N	-2	0	344.232	-0.560	20	5		EBBDRL
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Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCCOC2)n1	ZINC000600660320	379655143	/nfs/dbraw/zinc/65/51/43/379655143.db2.gz	RAZOHMPASCQPEN-CBAPKCEASA-N	-2	0	348.337	-0.514	20	5		EBBDRL
COc1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000274940769	295014869	/nfs/dbraw/zinc/01/48/69/295014869.db2.gz	GGRIFDXDJDFXMQ-UHFFFAOYSA-N	-2	0	348.289	-0.237	20	5		EBBDRL
Cc1cc([N+](=O)[O-])cnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226764064	811884441	/nfs/dbraw/zinc/88/44/41/811884441.db2.gz	FUHGQMAENYXJFQ-CBAPKCEASA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cc1ccc([N+](=O)[O-])c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001227065716	811902117	/nfs/dbraw/zinc/90/21/17/811902117.db2.gz	XZJPRVAINHJIDT-MUWHJKNJSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC001589496630	987079908	/nfs/dbraw/zinc/07/99/08/987079908.db2.gz	ZGYVVUHNVDXDDD-MRVPVSSYSA-N	-2	0	345.333	-0.050	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])n1	ZINC000600650793	379655071	/nfs/dbraw/zinc/65/50/71/379655071.db2.gz	BNWNLEJQSSWPGB-HTQZYQBOSA-N	-2	0	348.337	-0.514	20	5		EBBDRL
O=C([O-])C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275253190	154644087	/nfs/dbraw/zinc/64/40/87/154644087.db2.gz	LIHVUUCUKRWZGR-QMMMGPOBSA-N	-2	0	332.290	-0.058	20	5		EBBDRL
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Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncc1[N+](=O)[O-]	ZINC001225659894	811821771	/nfs/dbraw/zinc/82/17/71/811821771.db2.gz	ZGGOOCDXHKKLIG-WKEGUHRASA-N	-2	0	328.233	-0.260	20	5		EBBDRL
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Cc1nccc([N+](=O)[O-])c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234904828	812447730	/nfs/dbraw/zinc/44/77/30/812447730.db2.gz	HOYZEWRJYHKLCN-IMTBSYHQSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
COc1ccc([N+](=O)[O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001234880746	812448263	/nfs/dbraw/zinc/44/82/63/812448263.db2.gz	GRCAHIWTXZFWEQ-CDUCUWFYSA-N	-2	0	344.232	-0.560	20	5		EBBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000274933978	304065977	/nfs/dbraw/zinc/06/59/77/304065977.db2.gz	DSLAXGOYAWBXRC-UHFFFAOYSA-N	-2	0	346.317	-0.062	20	5		EBBDRL
CCn1cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c([N+](=O)[O-])n1	ZINC000554538049	379197431	/nfs/dbraw/zinc/19/74/31/379197431.db2.gz	GOYXAPZFVPGFGE-UHFFFAOYSA-N	-2	0	348.337	-0.277	20	5		EBBDRL
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600664731	379655015	/nfs/dbraw/zinc/65/50/15/379655015.db2.gz	GOGMCQPHHJJKIP-SNVBAGLBSA-N	-2	0	336.326	-0.514	20	5		EBBDRL
COc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000274991126	379753944	/nfs/dbraw/zinc/75/39/44/379753944.db2.gz	ZCIMLFGYYAEZEC-SSDOTTSWSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c([N+](=O)[O-])c1	ZINC000274921578	380261548	/nfs/dbraw/zinc/26/15/48/380261548.db2.gz	MZRPXCGUVIMAOR-SSDOTTSWSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274953551	381785349	/nfs/dbraw/zinc/78/53/49/381785349.db2.gz	TWTAWQVODMDWLN-ZETCQYMHSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
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Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)n1	ZINC000600657157	379654933	/nfs/dbraw/zinc/65/49/33/379654933.db2.gz	JLMYVCWBOLHWFX-RXMQYKEDSA-N	-2	0	342.280	-0.037	20	5		EBBDRL
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CCn1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)c([N+](=O)[O-])n1	ZINC000530435630	420926995	/nfs/dbraw/zinc/92/69/95/420926995.db2.gz	DAKIBSVCYNFZEE-SSDOTTSWSA-N	-2	0	336.326	-0.421	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)n1	ZINC000863965294	584382127	/nfs/dbraw/zinc/38/21/27/584382127.db2.gz	IZMXZPOWKRJBEZ-ZETCQYMHSA-N	-2	0	332.294	-0.756	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)n1	ZINC000863966123	584382317	/nfs/dbraw/zinc/38/23/17/584382317.db2.gz	XBCCUNGTKWTLKC-UHFFFAOYSA-N	-2	0	344.305	-0.446	20	5		EBBDRL
Cc1cnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001227236624	811912123	/nfs/dbraw/zinc/91/21/23/811912123.db2.gz	JMUPUUJHOXMWRV-MUWHJKNJSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
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COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)C(=O)[O-]	ZINC000275180846	379462933	/nfs/dbraw/zinc/46/29/33/379462933.db2.gz	DKFSMTDCDGUUQR-QMMMGPOBSA-N	-2	0	348.289	-0.895	20	5		EBBDRL
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656926	379655385	/nfs/dbraw/zinc/65/53/85/379655385.db2.gz	YRHSBTHHOMKWGG-HTQZYQBOSA-N	-2	0	336.326	-0.779	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])n1	ZINC000600653074	379655901	/nfs/dbraw/zinc/65/59/01/379655901.db2.gz	ZTGQFNWLWWOQJE-SCSAIBSYSA-N	-2	0	328.253	-0.285	20	5		EBBDRL
CN1C[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1=O	ZINC000579244331	380979606	/nfs/dbraw/zinc/97/96/06/380979606.db2.gz	CSZJDEBATSAKRZ-ZETCQYMHSA-N	-2	0	343.317	-0.198	20	5		EBBDRL
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CCOC(=O)c1[n-]c(=O)nc(OC(=O)[C@@H](O)CC(=O)[O-])c1[N+](=O)[O-]	ZINC001226022122	811843671	/nfs/dbraw/zinc/84/36/71/811843671.db2.gz	XFBAJAMMFFJOSI-BYPYZUCNSA-N	-2	0	345.220	-0.992	20	5		EBBDRL
Cc1ccc([N+](=O)[O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001227065715	811902065	/nfs/dbraw/zinc/90/20/65/811902065.db2.gz	XZJPRVAINHJIDT-IMTBSYHQSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
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COc1ccc([N+](=O)[O-])c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001234881932	812448065	/nfs/dbraw/zinc/44/80/65/812448065.db2.gz	SUCPLWVTCRMGSF-ZCFIWIBFSA-N	-2	0	338.165	-0.626	20	5		EBBDRL
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NC(=O)CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275035165	303247770	/nfs/dbraw/zinc/24/77/70/303247770.db2.gz	GDPVDCMISWHVLF-ZETCQYMHSA-N	-2	0	349.296	-0.269	20	5		EBBDRL
O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000819539615	583758721	/nfs/dbraw/zinc/75/87/21/583758721.db2.gz	BOXPZVVDHWDIKQ-UHFFFAOYSA-N	-2	0	335.319	-0.388	20	5		EBBDRL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863953574	584380852	/nfs/dbraw/zinc/38/08/52/584380852.db2.gz	SHOOTNBTNMDYTJ-UHFFFAOYSA-N	-2	0	332.290	-0.191	20	5		EBBDRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000863956279	584381128	/nfs/dbraw/zinc/38/11/28/584381128.db2.gz	MDZVBEBCLDKZSK-UHFFFAOYSA-N	-2	0	346.317	-0.316	20	5		EBBDRL
O=C([O-])C[C@H](C(=O)Oc1c(O)cccc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226340078	811861226	/nfs/dbraw/zinc/86/12/26/811861226.db2.gz	MTTGLMRQMVUGAK-SSDLBLMSSA-N	-2	0	329.217	-0.258	20	5		EBBDRL
O=C([O-])C[C@H](C(=O)Oc1ncc(F)cc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226751820	811883571	/nfs/dbraw/zinc/88/35/71/811883571.db2.gz	SXBAGNVMXPPFMU-YLWLKBPMSA-N	-2	0	332.196	-0.429	20	5		EBBDRL
COc1cccc([N+](=O)[O-])c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227698933	811939042	/nfs/dbraw/zinc/93/90/42/811939042.db2.gz	ABXWTXZOOTVZHR-SSDOTTSWSA-N	-2	0	337.177	-0.021	20	5		EBBDRL
Cc1[nH]c(=O)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1[N+](=O)[O-]	ZINC001228688134	811994286	/nfs/dbraw/zinc/99/42/86/811994286.db2.gz	FJMGMNUBZOHTLU-RXMQYKEDSA-N	-2	0	338.165	-0.621	20	5		EBBDRL
COC(=O)c1cc([N+](=O)[O-])c(OC(=O)[C@H](O)CC(=O)[O-])cc1[O-]	ZINC001228808783	811998174	/nfs/dbraw/zinc/99/81/74/811998174.db2.gz	DPIONWXRBZOHPA-MRVPVSSYSA-N	-2	0	329.217	-0.172	20	5		EBBDRL
COC(=O)c1cc([N+](=O)[O-])c(OC(=O)[C@@H](O)CC(=O)[O-])cc1[O-]	ZINC001228808788	811998361	/nfs/dbraw/zinc/99/83/61/811998361.db2.gz	DPIONWXRBZOHPA-QMMMGPOBSA-N	-2	0	329.217	-0.172	20	5		EBBDRL
O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000274900459	304082263	/nfs/dbraw/zinc/08/22/63/304082263.db2.gz	ICKLZNYFYZYYPQ-VIFPVBQESA-N	-2	0	332.290	-0.058	20	5		EBBDRL
O=c1nc(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[n-]o1	ZINC000340043813	376680650	/nfs/dbraw/zinc/68/06/50/376680650.db2.gz	AFNSGDQCMMTGID-UHFFFAOYSA-N	-2	0	332.269	-0.069	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCSC2)n1	ZINC000600665025	379658547	/nfs/dbraw/zinc/65/85/47/379658547.db2.gz	LLKYKCVVBWWVIK-VIFPVBQESA-N	-2	0	336.351	-0.433	20	5		EBBDRL
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c([N+](=O)[O-])c1	ZINC000274921580	380262929	/nfs/dbraw/zinc/26/29/29/380262929.db2.gz	MZRPXCGUVIMAOR-ZETCQYMHSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
CS(=O)(=O)Cc1noc(=NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[n-]1	ZINC000342473429	156036486	/nfs/dbraw/zinc/03/64/86/156036486.db2.gz	LMQFSYOVLBAVCH-UHFFFAOYSA-N	-2	0	342.289	-0.098	20	5		EBBDRL
COc1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c([N+](=O)[O-])cc1OC	ZINC000820283139	583770345	/nfs/dbraw/zinc/77/03/45/583770345.db2.gz	UAPXRWNEUUMQAF-UHFFFAOYSA-N	-2	0	325.237	-0.001	20	5		EBBDRL
Cc1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001226118869	811846204	/nfs/dbraw/zinc/84/62/04/811846204.db2.gz	MKRWJOBJNUGQMX-IMTBSYHQSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncc1[N+](=O)[O-]	ZINC001226577483	811871300	/nfs/dbraw/zinc/87/13/00/811871300.db2.gz	AIUVZLRALVQNOP-XUOSJQGZSA-N	-2	0	344.232	-0.560	20	5		EBBDRL
Cc1cnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001227236625	811912415	/nfs/dbraw/zinc/91/24/15/811912415.db2.gz	JMUPUUJHOXMWRV-RCOVLWMOSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)Oc1cc([N+](=O)[O-])ccc1O)[C@@H](O)C(=O)[O-]	ZINC001229394850	812030563	/nfs/dbraw/zinc/03/05/63/812030563.db2.gz	CGTWSHBZTYGILH-LHLIQPBNSA-N	-2	0	329.217	-0.258	20	5		EBBDRL
Cc1nccc([N+](=O)[O-])c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234904826	812448167	/nfs/dbraw/zinc/44/81/67/812448167.db2.gz	HOYZEWRJYHKLCN-HZGVNTEJSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC001589496631	987079782	/nfs/dbraw/zinc/07/97/82/987079782.db2.gz	ZGYVVUHNVDXDDD-QMMMGPOBSA-N	-2	0	345.333	-0.050	20	5		EBBDRL
CS(=O)(=O)Cc1noc(=NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[n-]1	ZINC000436988506	265243859	/nfs/dbraw/zinc/24/38/59/265243859.db2.gz	KGLPZSSKNIVRHA-UHFFFAOYSA-N	-2	0	342.289	-0.098	20	5		EBBDRL
CC(C)(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1cc([N+](=O)[O-])cn1	ZINC000736223763	582925175	/nfs/dbraw/zinc/92/51/75/582925175.db2.gz	NBPZQKDDLZISSB-UHFFFAOYSA-N	-2	0	348.337	-0.163	20	5		EBBDRL
CCn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c([N+](=O)[O-])n1	ZINC000833683099	584013629	/nfs/dbraw/zinc/01/36/29/584013629.db2.gz	ISXSFBOTTCIVHH-UHFFFAOYSA-N	-2	0	344.309	-0.107	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(CC(=O)[O-])CCCOC2)n1	ZINC000863410110	584370046	/nfs/dbraw/zinc/37/00/46/584370046.db2.gz	URYKMFKXZNODOW-NSHDSACASA-N	-2	0	348.337	-0.370	20	5		EBBDRL
O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)C1CC1	ZINC000863957275	584381073	/nfs/dbraw/zinc/38/10/73/584381073.db2.gz	VHWAAJSQIUGAIC-VIFPVBQESA-N	-2	0	329.290	-0.095	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)n1	ZINC000863966043	584382323	/nfs/dbraw/zinc/38/23/23/584382323.db2.gz	UREXMIBFZRGOOL-NSHDSACASA-N	-2	0	346.321	-0.366	20	5		EBBDRL
Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000738868926	600464206	/nfs/dbraw/zinc/46/42/06/600464206.db2.gz	DWKCLZSCGQVUTL-UHFFFAOYSA-N	-2	0	348.337	-0.199	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)Oc1cc([O-])ccc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225494649	811814514	/nfs/dbraw/zinc/81/45/14/811814514.db2.gz	UPITWCIKEODXQW-LHLIQPBNSA-N	-3	0	329.217	-0.258	20	5		EBBDRL
O=C([O-])C[C@H](C(=O)Oc1cc([O-])ccc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225494654	811815080	/nfs/dbraw/zinc/81/50/80/811815080.db2.gz	UPITWCIKEODXQW-WKEGUHRASA-N	-3	0	329.217	-0.258	20	5		EBBDRL
O=C(Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001227743123	811940259	/nfs/dbraw/zinc/94/02/59/811940259.db2.gz	JLAYUUNHLUANPV-MRVPVSSYSA-N	-3	0	347.176	-0.153	20	5		EBBDRL
Cc1nccc([N+](=O)[O-])c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234904830	812448001	/nfs/dbraw/zinc/44/80/01/812448001.db2.gz	HOYZEWRJYHKLCN-MUWHJKNJSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCOC2)n1	ZINC000600659406	379656282	/nfs/dbraw/zinc/65/62/82/379656282.db2.gz	PFRIFKHBTSQKNQ-SNVBAGLBSA-N	-2	0	334.310	-0.760	20	5		EBBDRL
CS(=O)(=O)Cc1noc(=NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[n-]1	ZINC000436971404	265243926	/nfs/dbraw/zinc/24/39/26/265243926.db2.gz	OPWMJNDSDWAXMY-UHFFFAOYSA-N	-2	0	342.289	-0.098	20	5		EBBDRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000833279459	584008421	/nfs/dbraw/zinc/00/84/21/584008421.db2.gz	LWKNJYMPNDROIP-UHFFFAOYSA-N	-2	0	331.306	-0.149	20	5		EBBDRL
Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncc1[N+](=O)[O-]	ZINC001225659893	811821906	/nfs/dbraw/zinc/82/19/06/811821906.db2.gz	ZGGOOCDXHKKLIG-QUBYGPBYSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cc1cc([N+](=O)[O-])cnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226764066	811885120	/nfs/dbraw/zinc/88/51/20/811885120.db2.gz	FUHGQMAENYXJFQ-VXNVDRBHSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)Oc1cc(O)cc([O-])c1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228973779	812008000	/nfs/dbraw/zinc/00/80/00/812008000.db2.gz	MEHGFPPUVVQQEH-FWOIEVBISA-N	-3	0	345.216	-0.552	20	5		EBBDRL
Cc1ccnc([N+](=O)[O-])c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233554606	812317301	/nfs/dbraw/zinc/31/73/01/812317301.db2.gz	YJORPXMNDLQJHP-SVRRBLITSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
CSCC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600650803	379655405	/nfs/dbraw/zinc/65/54/05/379655405.db2.gz	BNXMLYMJGMISGA-ZCFIWIBFSA-N	-2	0	338.367	-0.187	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(CC(=O)[O-])CCOC2)n1	ZINC000600659405	379655656	/nfs/dbraw/zinc/65/56/56/379655656.db2.gz	PFRIFKHBTSQKNQ-JTQLQIEISA-N	-2	0	334.310	-0.760	20	5		EBBDRL
CSCC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600650802	379656273	/nfs/dbraw/zinc/65/62/73/379656273.db2.gz	BNXMLYMJGMISGA-LURJTMIESA-N	-2	0	338.367	-0.187	20	5		EBBDRL
COc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000275004188	379764129	/nfs/dbraw/zinc/76/41/29/379764129.db2.gz	OPHSNZSMDGRDOW-UHFFFAOYSA-N	-2	0	348.289	-0.237	20	5		EBBDRL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000274965109	295027899	/nfs/dbraw/zinc/02/78/99/295027899.db2.gz	JSHOOWDJPARKFV-UHFFFAOYSA-N	-2	0	348.289	-0.237	20	5		EBBDRL
CN(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1	ZINC000825897860	583870288	/nfs/dbraw/zinc/87/02/88/583870288.db2.gz	OVKMIYOOLQEOQL-UHFFFAOYSA-N	-2	0	342.293	-0.520	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])nc1)[C@@H](O)C(=O)[O-]	ZINC001224114883	811746425	/nfs/dbraw/zinc/74/64/25/811746425.db2.gz	QUGPFWRTUACDMB-GMSGAONNSA-N	-2	0	328.233	-0.431	20	5		EBBDRL
O=C([O-])C[C@H](C(=O)Oc1cccc([O-])c1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225626165	811820677	/nfs/dbraw/zinc/82/06/77/811820677.db2.gz	OOUPJXLWUWJNQS-RRAGMBSWSA-N	-3	0	329.217	-0.258	20	5		EBBDRL
Cc1ccnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001226118867	811846475	/nfs/dbraw/zinc/84/64/75/811846475.db2.gz	MKRWJOBJNUGQMX-HZGVNTEJSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cc1ccnc([N+](=O)[O-])c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233554607	812316246	/nfs/dbraw/zinc/31/62/46/812316246.db2.gz	YJORPXMNDLQJHP-XPUUQOCRSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656927	379654906	/nfs/dbraw/zinc/65/49/06/379654906.db2.gz	YRHSBTHHOMKWGG-JGVFFNPUSA-N	-2	0	336.326	-0.779	20	5		EBBDRL
O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000275253186	154644132	/nfs/dbraw/zinc/64/41/32/154644132.db2.gz	LIHVUUCUKRWZGR-MRVPVSSYSA-N	-2	0	332.290	-0.058	20	5		EBBDRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000803181414	583628315	/nfs/dbraw/zinc/62/83/15/583628315.db2.gz	IZWTVYSIJNUSEQ-UHFFFAOYSA-N	-2	0	331.306	-0.504	20	5		EBBDRL
Cn1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000830969321	583973331	/nfs/dbraw/zinc/97/33/31/583973331.db2.gz	UBDDUERKCBMHMH-SSDOTTSWSA-N	-2	0	346.321	-0.255	20	5		EBBDRL
Cc1cc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000863955619	584381138	/nfs/dbraw/zinc/38/11/38/584381138.db2.gz	SBUZCBQRUUWYQI-UHFFFAOYSA-N	-2	0	332.290	-0.191	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)n1	ZINC000863965327	584382184	/nfs/dbraw/zinc/38/21/84/584382184.db2.gz	JJMXHRVWHAPWJQ-SSDOTTSWSA-N	-2	0	348.337	-0.120	20	5		EBBDRL
O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1	ZINC000863966306	584382368	/nfs/dbraw/zinc/38/23/68/584382368.db2.gz	WBRPKOKODOIIJI-SECBINFHSA-N	-2	0	329.290	-0.095	20	5		EBBDRL
CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000863965549	584382372	/nfs/dbraw/zinc/38/23/72/584382372.db2.gz	LWPWUUKNUPXPFB-SSDOTTSWSA-N	-2	0	334.310	-0.510	20	5		EBBDRL
Cc1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001226118872	811846920	/nfs/dbraw/zinc/84/69/20/811846920.db2.gz	MKRWJOBJNUGQMX-RCOVLWMOSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cc1ccc([N+](=O)[O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001227065717	811901589	/nfs/dbraw/zinc/90/15/89/811901589.db2.gz	XZJPRVAINHJIDT-RCOVLWMOSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cc1cnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001227236622	811911983	/nfs/dbraw/zinc/91/19/83/811911983.db2.gz	JMUPUUJHOXMWRV-HZGVNTEJSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c([N+](=O)[O-])n1	ZINC001227225459	811912505	/nfs/dbraw/zinc/91/25/05/811912505.db2.gz	ZLWSMBGBPRJZMM-RCOVLWMOSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cc1cc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1[N+](=O)[O-]	ZINC001229754814	812053904	/nfs/dbraw/zinc/05/39/04/812053904.db2.gz	RUXDMVHJXRYPGP-MRVPVSSYSA-N	-2	0	337.177	-0.016	20	5		EBBDRL
COc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000275070247	379463423	/nfs/dbraw/zinc/46/34/23/379463423.db2.gz	LDLSMGZFCOQEKT-QMMMGPOBSA-N	-2	0	334.306	-0.283	20	5		EBBDRL
CCn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)c([N+](=O)[O-])n1	ZINC000530435631	420927572	/nfs/dbraw/zinc/92/75/72/420927572.db2.gz	DAKIBSVCYNFZEE-ZETCQYMHSA-N	-2	0	336.326	-0.421	20	5		EBBDRL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000274925358	295255148	/nfs/dbraw/zinc/25/51/48/295255148.db2.gz	BVKFBFHZUWUWJK-UHFFFAOYSA-N	-2	0	348.289	-0.237	20	5		EBBDRL
COc1cc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000832097687	583995702	/nfs/dbraw/zinc/99/57/02/583995702.db2.gz	JEGONCGRYPPRBC-UHFFFAOYSA-N	-2	0	333.278	-0.324	20	5		EBBDRL
Cc1c(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])cccc1[N+](=O)[O-]	ZINC000863962864	584381893	/nfs/dbraw/zinc/38/18/93/584381893.db2.gz	ADMMYVJODQYMRN-UHFFFAOYSA-N	-2	0	346.317	-0.050	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)Oc1ncc(F)cc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226751817	811883640	/nfs/dbraw/zinc/88/36/40/811883640.db2.gz	SXBAGNVMXPPFMU-SVGQVSJJSA-N	-2	0	332.196	-0.429	20	5		EBBDRL
Cc1[nH]c(=O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001228688334	811994882	/nfs/dbraw/zinc/99/48/82/811994882.db2.gz	IEXYZTTVGWDKAT-RRAGMBSWSA-N	-2	0	344.232	-0.554	20	5		EBBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000316747947	379435002	/nfs/dbraw/zinc/43/50/02/379435002.db2.gz	IUQXYTWURZLLHD-SSDOTTSWSA-N	-2	0	336.253	-0.060	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])n1	ZINC000600653041	379655210	/nfs/dbraw/zinc/65/52/10/379655210.db2.gz	YUERHSIHFIDXEU-QMMMGPOBSA-N	-2	0	344.305	-0.105	20	5		EBBDRL
O=C([O-])C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000548204668	381909162	/nfs/dbraw/zinc/90/91/62/381909162.db2.gz	JXYIANNTIATMPQ-SECBINFHSA-N	-2	0	332.290	-0.058	20	5		EBBDRL
C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1O	ZINC000343944231	156192216	/nfs/dbraw/zinc/19/22/16/156192216.db2.gz	VUHONFHPTLNDOX-CMPLNLGQSA-N	-2	0	339.304	-0.498	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000833950507	584020814	/nfs/dbraw/zinc/02/08/14/584020814.db2.gz	KIJVUDFWIHONOM-LURJTMIESA-N	-2	0	347.309	-0.860	20	5		EBBDRL
Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncc1[N+](=O)[O-]	ZINC001225659890	811822198	/nfs/dbraw/zinc/82/21/98/811822198.db2.gz	ZGGOOCDXHKKLIG-LDWIPMOCSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
O=C([O-])C[C@H](C(=O)Oc1nccc([O-])c1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225664448	811822670	/nfs/dbraw/zinc/82/26/70/811822670.db2.gz	OJAVBLFPLVUFMB-NVNXEXLPSA-N	-3	0	330.205	-0.863	20	5		EBBDRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@H](O)CCC(=O)[O-])c1[N+](=O)[O-]	ZINC001226653695	811877232	/nfs/dbraw/zinc/87/72/32/811877232.db2.gz	YTCHELCGAQIEMR-SCSAIBSYSA-N	-2	0	345.220	-0.992	20	5		EBBDRL
O=C([O-])C[C@H](C(=O)Oc1ncc(F)cc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226751818	811883737	/nfs/dbraw/zinc/88/37/37/811883737.db2.gz	SXBAGNVMXPPFMU-XNCJUZBTSA-N	-2	0	332.196	-0.429	20	5		EBBDRL
Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c([N+](=O)[O-])n1	ZINC001227225456	811912412	/nfs/dbraw/zinc/91/24/12/811912412.db2.gz	ZLWSMBGBPRJZMM-HZGVNTEJSA-N	-2	0	328.233	-0.260	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCSC2)n1	ZINC000600665020	379657575	/nfs/dbraw/zinc/65/75/75/379657575.db2.gz	LLKYKCVVBWWVIK-SECBINFHSA-N	-2	0	336.351	-0.433	20	5		EBBDRL
COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-]	ZINC000275341492	379840923	/nfs/dbraw/zinc/84/09/23/379840923.db2.gz	VGSXLUQWVDAVMR-SSDOTTSWSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274885351	380193062	/nfs/dbraw/zinc/19/30/62/380193062.db2.gz	DSGUJZBQJRUHII-SSDOTTSWSA-N	-2	0	348.289	-0.190	20	5		EBBDRL
O=C([O-])N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1	ZINC000831748196	583991112	/nfs/dbraw/zinc/99/11/12/583991112.db2.gz	VYYSHAHIIZLWRW-SSDOTTSWSA-N	-2	0	344.305	-0.205	20	5		EBBDRL
CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c([N+](=O)[O-])n1	ZINC000833682883	584013619	/nfs/dbraw/zinc/01/36/19/584013619.db2.gz	CGXNLGXHBNXYAP-UHFFFAOYSA-N	-2	0	344.309	-0.107	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCCOC2)n1	ZINC000863410109	584370109	/nfs/dbraw/zinc/37/01/09/584370109.db2.gz	URYKMFKXZNODOW-LLVKDONJSA-N	-2	0	348.337	-0.370	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)n1	ZINC000863965329	584382218	/nfs/dbraw/zinc/38/22/18/584382218.db2.gz	JJMXHRVWHAPWJQ-ZETCQYMHSA-N	-2	0	348.337	-0.120	20	5		EBBDRL
CSc1nc(OC(=O)[C@H](O)CCC(=O)[O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC001227625456	811931387	/nfs/dbraw/zinc/93/13/87/811931387.db2.gz	XNHIPGCKXRHVEW-SCSAIBSYSA-N	-2	0	333.278	-0.057	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)Oc1cc([N+](=O)[O-])ccc1O)[C@H](O)C(=O)[O-]	ZINC001229394844	812029788	/nfs/dbraw/zinc/02/97/88/812029788.db2.gz	CGTWSHBZTYGILH-LDWIPMOCSA-N	-2	0	329.217	-0.258	20	5		EBBDRL
Cc1cc([O-])c([N+](=O)[O-])c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001231263573	812284919	/nfs/dbraw/zinc/28/49/19/812284919.db2.gz	LKNOIPJULBQPJN-ANLVUFKYSA-N	-3	0	344.232	-0.554	20	5		EBBDRL
O=C([O-])N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000831746481	583991152	/nfs/dbraw/zinc/99/11/52/583991152.db2.gz	ACMDDUIYKJUBGF-QMMMGPOBSA-N	-2	0	344.305	-0.063	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCOCC2)n1	ZINC000863406694	584369743	/nfs/dbraw/zinc/36/97/43/584369743.db2.gz	JSVRJYCFNGTPND-VIFPVBQESA-N	-2	0	348.337	-0.514	20	5		EBBDRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000863953161	584380778	/nfs/dbraw/zinc/38/07/78/584380778.db2.gz	OERVZUGZEMKHAJ-UHFFFAOYSA-N	-2	0	332.290	-0.358	20	5		EBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n1	ZINC000863965218	584382215	/nfs/dbraw/zinc/38/22/15/584382215.db2.gz	IFLOULXCIIGAOC-RQJHMYQMSA-N	-2	0	346.321	-0.366	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)Oc1cc([O-])ccc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225494646	811814935	/nfs/dbraw/zinc/81/49/35/811814935.db2.gz	UPITWCIKEODXQW-LDWIPMOCSA-N	-3	0	329.217	-0.258	20	5		EBBDRL
O=C([O-])C[C@@H](C(=O)Oc1ncc(F)cc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226751819	811882989	/nfs/dbraw/zinc/88/29/89/811882989.db2.gz	SXBAGNVMXPPFMU-XRGYYRRGSA-N	-2	0	332.196	-0.429	20	5		EBBDRL
O=C(Oc1ncc([N+](=O)[O-])c2nc[nH]c21)[C@H](O)COP(=O)([O-])[O-]	ZINC001227696072	811938713	/nfs/dbraw/zinc/93/87/13/811938713.db2.gz	SARNALUPYCAHPO-RXMQYKEDSA-N	-2	0	348.164	-0.758	20	5		EBBDRL
Cc1nccc([N+](=O)[O-])c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234904832	812447812	/nfs/dbraw/zinc/44/78/12/812447812.db2.gz	HOYZEWRJYHKLCN-RCOVLWMOSA-N	-2	0	328.233	-0.260	20	5		EBBDRL