smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000361982277	300149922	/nfs/dbraw/zinc/14/99/22/300149922.db2.gz	DUTYIQPVBUHCRF-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)[O-]	ZINC000537639773	302154169	/nfs/dbraw/zinc/15/41/69/302154169.db2.gz	IFPAFEFYGPJRHG-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)c([N+](=O)[O-])cc1O	ZINC000594964910	439644376	/nfs/dbraw/zinc/64/43/76/439644376.db2.gz	CYNMUFNQCHQOQW-NOZJJQNGSA-N	-1	2	346.361	0.211	20	5		ECBDLM
O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000770856711	579179587	/nfs/dbraw/zinc/17/95/87/579179587.db2.gz	MDYALTJKOINUMS-UHFFFAOYSA-N	-1	2	330.260	0.324	20	5		ECBDLM
COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)nn1C	ZINC000548477822	438729449	/nfs/dbraw/zinc/72/94/49/438729449.db2.gz	WZUYAZJPULMIQE-UHFFFAOYSA-N	-1	2	342.333	1.152	20	5		ECBDLM
O=C([O-])c1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc([N+](=O)[O-])c1	ZINC000833298417	588534036	/nfs/dbraw/zinc/53/40/36/588534036.db2.gz	UMLGJECBUYLAQX-UHFFFAOYSA-N	-1	2	335.276	0.479	20	5		ECBDLM
N=C1NC(=O)C(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)S1	ZINC000833088998	588520566	/nfs/dbraw/zinc/52/05/66/588520566.db2.gz	LMQYXHAYYHIWGY-MRVPVSSYSA-N	-1	2	338.301	0.788	20	5		ECBDLM
N=C1NC(=O)[C@@H](CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)S1	ZINC000833088998	588520567	/nfs/dbraw/zinc/52/05/67/588520567.db2.gz	LMQYXHAYYHIWGY-MRVPVSSYSA-N	-1	2	338.301	0.788	20	5		ECBDLM
O=C([O-])Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000833276619	588533365	/nfs/dbraw/zinc/53/33/65/588533365.db2.gz	KNSOTXKWXFAEHV-UHFFFAOYSA-N	-1	2	333.307	0.133	20	5		ECBDLM
Cn1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000539193164	302167706	/nfs/dbraw/zinc/16/77/06/302167706.db2.gz	HVRGOPYFEKVTDH-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
Cn1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000821089014	587572807	/nfs/dbraw/zinc/57/28/07/587572807.db2.gz	AQDJHMMSAWYUFS-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000174349666	207014151	/nfs/dbraw/zinc/01/41/51/207014151.db2.gz	KMRSZBDDNJKPCS-UHFFFAOYSA-N	-1	2	337.380	0.405	20	5		ECBDLM
CC(=O)NCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H](C)C(=O)[O-]	ZINC000819753182	587489097	/nfs/dbraw/zinc/48/90/97/587489097.db2.gz	UITYFBNIMTYXSE-QMMMGPOBSA-N	-1	2	339.304	0.352	20	5		ECBDLM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000738305248	579618424	/nfs/dbraw/zinc/61/84/24/579618424.db2.gz	LFJKNMBRLWRPPY-UHFFFAOYSA-N	-1	2	340.317	0.985	20	5		ECBDLM
O=C([O-])N1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000834040533	588590295	/nfs/dbraw/zinc/59/02/95/588590295.db2.gz	CQLUXESPYDMPSU-UHFFFAOYSA-N	-1	2	338.320	0.326	20	5		ECBDLM
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[N@H+]1CCCOCC1	ZINC000189087586	437582951	/nfs/dbraw/zinc/58/29/51/437582951.db2.gz	KVEKFBLQKSVEGM-UHFFFAOYSA-N	-1	2	329.378	0.595	20	5		ECBDLM
CC(=O)NCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C)C(=O)[O-]	ZINC000290435793	437485558	/nfs/dbraw/zinc/48/55/58/437485558.db2.gz	VIARNPBDBLYBHV-QMMMGPOBSA-N	-1	2	339.304	0.352	20	5		ECBDLM
COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c([N+](=O)[O-])cc1O	ZINC000594964913	439644527	/nfs/dbraw/zinc/64/45/27/439644527.db2.gz	CYNMUFNQCHQOQW-ZANVPECISA-N	-1	2	346.361	0.211	20	5		ECBDLM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])n1	ZINC000600651263	439682379	/nfs/dbraw/zinc/68/23/79/439682379.db2.gz	FDUYLHRCHCEYQQ-SCSAIBSYSA-N	-1	2	346.243	0.012	20	5		ECBDLM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1	ZINC000825336021	587933198	/nfs/dbraw/zinc/93/31/98/587933198.db2.gz	QPTFDADZYAZFTM-PRHODGIISA-N	-1	2	339.304	0.798	20	5		ECBDLM
CN(CCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)[O-]	ZINC000830763409	588384911	/nfs/dbraw/zinc/38/49/11/588384911.db2.gz	PKQMDYJCXNISAR-UHFFFAOYSA-N	-1	2	346.321	0.185	20	5		ECBDLM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000863956840	590048836	/nfs/dbraw/zinc/04/88/36/590048836.db2.gz	PLERGMBYWPEOGP-SECBINFHSA-N	-1	2	345.333	0.542	20	5		ECBDLM
Cc1cc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)ccc1[N+](=O)[O-]	ZINC000738478367	579633295	/nfs/dbraw/zinc/63/32/95/579633295.db2.gz	MQIMTLNDTGECRS-UHFFFAOYSA-N	-1	2	340.317	0.985	20	5		ECBDLM
Cn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000362276576	300179552	/nfs/dbraw/zinc/17/95/52/300179552.db2.gz	GWYZYJMCSIYHPF-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
Cn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000432208865	438185551	/nfs/dbraw/zinc/18/55/51/438185551.db2.gz	UWPIRSSSRGHDRB-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1	ZINC000832958776	588511581	/nfs/dbraw/zinc/51/15/81/588511581.db2.gz	UTDGAOUMWJBHMY-UHFFFAOYSA-N	-1	2	341.305	0.380	20	5		ECBDLM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1	ZINC000825336025	587933083	/nfs/dbraw/zinc/93/30/83/587933083.db2.gz	QPTFDADZYAZFTM-UFBFGSQYSA-N	-1	2	339.304	0.798	20	5		ECBDLM
COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c([N+](=O)[O-])cc1O	ZINC000594964911	439645044	/nfs/dbraw/zinc/64/50/44/439645044.db2.gz	CYNMUFNQCHQOQW-RNCFNFMXSA-N	-1	2	346.361	0.211	20	5		ECBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1	ZINC000832905208	588509974	/nfs/dbraw/zinc/50/99/74/588509974.db2.gz	GVRFTUSMONHPDB-UHFFFAOYSA-N	-1	2	341.305	0.380	20	5		ECBDLM
COCCn1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000299657831	437100965	/nfs/dbraw/zinc/10/09/65/437100965.db2.gz	YRRLWQQELDCCFC-UHFFFAOYSA-N	-1	2	342.333	0.944	20	5		ECBDLM
C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000574162958	439686802	/nfs/dbraw/zinc/68/68/02/439686802.db2.gz	UFYKFFPRRLKRIJ-ZETCQYMHSA-N	-1	2	345.333	0.511	20	5		ECBDLM
C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000577066945	322824309	/nfs/dbraw/zinc/82/43/09/322824309.db2.gz	SVELYKMLTKHLFC-SSDOTTSWSA-N	-1	2	345.333	0.511	20	5		ECBDLM
O=C([O-])Cn1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000833277040	588533336	/nfs/dbraw/zinc/53/33/36/588533336.db2.gz	ZVHYPBXPYLHKCA-UHFFFAOYSA-N	-1	2	327.278	0.072	20	5		ECBDLM
C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ncccc1O	ZINC000590368322	438914808	/nfs/dbraw/zinc/91/48/08/438914808.db2.gz	YGHAOVSDBGDFMT-HTQZYQBOSA-N	-1	2	348.319	0.812	20	5		ECBDLM
C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1O	ZINC000590368326	438915391	/nfs/dbraw/zinc/91/53/91/438915391.db2.gz	YGHAOVSDBGDFMT-YUMQZZPRSA-N	-1	2	348.319	0.812	20	5		ECBDLM
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c(F)c1	ZINC000189084222	437582169	/nfs/dbraw/zinc/58/21/69/437582169.db2.gz	BUEKHDWVIZZBHX-UHFFFAOYSA-N	-1	2	347.368	0.735	20	5		ECBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1	ZINC000832976376	588512294	/nfs/dbraw/zinc/51/22/94/588512294.db2.gz	SCDXESMGTDBYHP-UHFFFAOYSA-N	-1	2	341.305	0.380	20	5		ECBDLM
O=C(N[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1)c1[nH]ncc1F	ZINC001059407050	746713514	/nfs/dbraw/zinc/71/35/14/746713514.db2.gz	GEWMPSSMPSVDQT-LJGSYFOKSA-N	-1	2	336.283	0.931	20	5		ECBDLM
Cn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)[O-]	ZINC000574390639	439702136	/nfs/dbraw/zinc/70/21/36/439702136.db2.gz	WYCFKEUEKGBTHZ-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000577066946	322824162	/nfs/dbraw/zinc/82/41/62/322824162.db2.gz	SVELYKMLTKHLFC-ZETCQYMHSA-N	-1	2	345.333	0.511	20	5		ECBDLM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000738663909	579644367	/nfs/dbraw/zinc/64/43/67/579644367.db2.gz	DJFPTGAMYRGUGY-UHFFFAOYSA-N	-1	2	340.317	0.985	20	5		ECBDLM
Cc1cc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)ccc1[N+](=O)[O-]	ZINC000832904607	588509965	/nfs/dbraw/zinc/50/99/65/588509965.db2.gz	VAQVUXMAHUULOK-UHFFFAOYSA-N	-1	2	341.305	0.380	20	5		ECBDLM
O=C([O-])NCCCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000834234437	588891072	/nfs/dbraw/zinc/89/10/72/588891072.db2.gz	PYHGQTPORYHONH-UHFFFAOYSA-N	-1	2	346.321	0.233	20	5		ECBDLM
O=C([O-])Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000833276924	588533270	/nfs/dbraw/zinc/53/32/70/588533270.db2.gz	TVYHZIHMEMUCJX-UHFFFAOYSA-N	-1	2	327.278	0.072	20	5		ECBDLM
O=C([O-])C1(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCC1	ZINC000863956534	590048814	/nfs/dbraw/zinc/04/88/14/590048814.db2.gz	MKSORXGGWXOHTA-UHFFFAOYSA-N	-1	2	329.290	0.050	20	5		ECBDLM
Nc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000739202276	579675428	/nfs/dbraw/zinc/67/54/28/579675428.db2.gz	ASMFYWWFJLLWDH-UHFFFAOYSA-N	-1	2	341.305	0.259	20	5		ECBDLM
O=C([O-])N1CC[NH+](CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000831689528	588442124	/nfs/dbraw/zinc/44/21/24/588442124.db2.gz	SYLSBGMZMSJICQ-UHFFFAOYSA-N	-1	2	338.320	0.326	20	5		ECBDLM
CCC(CC)(C(=O)[O-])C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000863957042	590048888	/nfs/dbraw/zinc/04/88/88/590048888.db2.gz	RPRBXGBUGJTMHJ-UHFFFAOYSA-N	-1	2	345.333	0.686	20	5		ECBDLM
C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1	ZINC000125985212	436779983	/nfs/dbraw/zinc/77/99/83/436779983.db2.gz	UAIXEDPYHRSILT-PWSUYJOCSA-N	-1	2	329.378	0.592	20	5		ECBDLM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)s1	ZINC000344176454	437742511	/nfs/dbraw/zinc/74/25/11/437742511.db2.gz	SEWJUAHHNAOJQC-UHFFFAOYSA-N	-1	2	333.307	0.663	20	5		ECBDLM
Cn1ncc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000774620848	579252265	/nfs/dbraw/zinc/25/22/65/579252265.db2.gz	GKRSEMOMBPWTQT-UHFFFAOYSA-N	-1	2	344.280	0.966	20	5		ECBDLM
O=C([O-])Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1	ZINC000833276647	588533317	/nfs/dbraw/zinc/53/33/17/588533317.db2.gz	NVJWVDNDMXBIJQ-UHFFFAOYSA-N	-1	2	345.268	0.211	20	5		ECBDLM
CCn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c([N+](=O)[O-])n1	ZINC000833682950	588558477	/nfs/dbraw/zinc/55/84/77/588558477.db2.gz	FKRBKDUYZPUUJD-UHFFFAOYSA-N	-1	2	341.305	0.705	20	5		ECBDLM
Cn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cn1	ZINC000387680980	438422640	/nfs/dbraw/zinc/42/26/40/438422640.db2.gz	GUCRCVDYZAECCN-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
CC(=O)NCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H](C)C(=O)[O-]	ZINC000819753181	587489186	/nfs/dbraw/zinc/48/91/86/587489186.db2.gz	UITYFBNIMTYXSE-MRVPVSSYSA-N	-1	2	339.304	0.352	20	5		ECBDLM
Cn1nccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000317488960	437193487	/nfs/dbraw/zinc/19/34/87/437193487.db2.gz	FKSNNEXZHNVEFI-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1	ZINC000348445100	321275168	/nfs/dbraw/zinc/27/51/68/321275168.db2.gz	QCGQMDKGAXQIAN-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
O=C([O-])CCCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000863956085	590048442	/nfs/dbraw/zinc/04/84/42/590048442.db2.gz	CHQDQDYINZCYCJ-UHFFFAOYSA-N	-1	2	331.306	0.440	20	5		ECBDLM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1	ZINC000825336019	587933158	/nfs/dbraw/zinc/93/31/58/587933158.db2.gz	QPTFDADZYAZFTM-PELKAZGASA-N	-1	2	339.304	0.798	20	5		ECBDLM
C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1	ZINC000125985012	436781058	/nfs/dbraw/zinc/78/10/58/436781058.db2.gz	UAIXEDPYHRSILT-JQWIXIFHSA-N	-1	2	329.378	0.592	20	5		ECBDLM
C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000574162957	439687392	/nfs/dbraw/zinc/68/73/92/439687392.db2.gz	UFYKFFPRRLKRIJ-SSDOTTSWSA-N	-1	2	345.333	0.511	20	5		ECBDLM
Cc1cc(=NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc2nc(C(F)(F)F)[n-]n21	ZINC000841021261	588976538	/nfs/dbraw/zinc/97/65/38/588976538.db2.gz	GNVSDVNMYLWOIM-PHDIDXHHSA-N	-1	2	330.226	0.477	20	5		ECBDLM
Cc1cc(=NC(=O)[C@@H]2CC2[N+](=O)[O-])nc2nc(C(F)(F)F)[n-]n21	ZINC000841021261	588976540	/nfs/dbraw/zinc/97/65/40/588976540.db2.gz	GNVSDVNMYLWOIM-PHDIDXHHSA-N	-1	2	330.226	0.477	20	5		ECBDLM
O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000739920942	579722369	/nfs/dbraw/zinc/72/23/69/579722369.db2.gz	XXXDBUGJSKZSHF-UHFFFAOYSA-N	-1	2	326.290	0.677	20	5		ECBDLM
COc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)nn1C	ZINC000319228579	437201731	/nfs/dbraw/zinc/20/17/31/437201731.db2.gz	UUAYCGFSOGQRHM-UHFFFAOYSA-N	-1	2	328.306	0.843	20	5		ECBDLM
CC(=O)NCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](C)C(=O)[O-]	ZINC000290435791	437485997	/nfs/dbraw/zinc/48/59/97/437485997.db2.gz	VIARNPBDBLYBHV-MRVPVSSYSA-N	-1	2	339.304	0.352	20	5		ECBDLM
COCCOCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000274886309	436887133	/nfs/dbraw/zinc/88/71/33/436887133.db2.gz	DYSWIHZZYVSZFH-UHFFFAOYSA-N	-1	2	348.333	0.698	20	5		ECBDLM
COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c([N+](=O)[O-])cc1O	ZINC000594964912	439645329	/nfs/dbraw/zinc/64/53/29/439645329.db2.gz	CYNMUFNQCHQOQW-TVQRCGJNSA-N	-1	2	346.361	0.211	20	5		ECBDLM
COc1nn(C)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000352308303	321357047	/nfs/dbraw/zinc/35/70/47/321357047.db2.gz	FOPZDJHJLTYNTP-UHFFFAOYSA-N	-1	2	328.306	0.843	20	5		ECBDLM
C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599229479	439389894	/nfs/dbraw/zinc/38/98/94/439389894.db2.gz	XJYGVWHBFOQAKU-PHIMTYICSA-N	-1	2	345.425	0.870	20	5		ECBDLM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1	ZINC000832856170	588508421	/nfs/dbraw/zinc/50/84/21/588508421.db2.gz	JMORHIKWUVJMBL-UHFFFAOYSA-N	-1	2	341.305	0.380	20	5		ECBDLM
C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1	ZINC000125985585	436781042	/nfs/dbraw/zinc/78/10/42/436781042.db2.gz	UAIXEDPYHRSILT-ZYHUDNBSSA-N	-1	2	329.378	0.592	20	5		ECBDLM
Cn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000776427587	579281377	/nfs/dbraw/zinc/28/13/77/579281377.db2.gz	QLZYYYXVHKEYLB-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
Cc1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1[N+](=O)[O-]	ZINC000832956675	588511655	/nfs/dbraw/zinc/51/16/55/588511655.db2.gz	QLXOCZWQAKGESP-UHFFFAOYSA-N	-1	2	341.305	0.380	20	5		ECBDLM
Cn1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000739062647	579664141	/nfs/dbraw/zinc/66/41/41/579664141.db2.gz	LIQYAFPXACBGRN-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
O=C([O-])[C@@H]1CC[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1	ZINC000863956503	590048458	/nfs/dbraw/zinc/04/84/58/590048458.db2.gz	LPIJBZTYZJJSIA-JGVFFNPUSA-N	-1	2	343.317	0.296	20	5		ECBDLM
C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1O	ZINC000590368323	438913683	/nfs/dbraw/zinc/91/36/83/438913683.db2.gz	YGHAOVSDBGDFMT-JGVFFNPUSA-N	-1	2	348.319	0.812	20	5		ECBDLM
O=C([O-])NC1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1	ZINC000834188766	588887696	/nfs/dbraw/zinc/88/76/96/588887696.db2.gz	CDPGSBKXZPNEMQ-UHFFFAOYSA-N	-1	2	338.320	0.971	20	5		ECBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CCCOCC1	ZINC000189101191	437581734	/nfs/dbraw/zinc/58/17/34/437581734.db2.gz	TVYCLYIVAMBMKY-UHFFFAOYSA-N	-1	2	343.405	0.904	20	5		ECBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000738478674	579633282	/nfs/dbraw/zinc/63/32/82/579633282.db2.gz	IUKPLMNQUJKWCU-UHFFFAOYSA-N	-1	2	340.317	0.985	20	5		ECBDLM
CC(C)[C@@H](C(=O)[O-])C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000863957294	590048820	/nfs/dbraw/zinc/04/88/20/590048820.db2.gz	WJOGBSURCOTJBF-SECBINFHSA-N	-1	2	331.306	0.152	20	5		ECBDLM
N=C1NC(=O)C(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)S1	ZINC000833089004	588520628	/nfs/dbraw/zinc/52/06/28/588520628.db2.gz	LMQYXHAYYHIWGY-QMMMGPOBSA-N	-1	2	338.301	0.788	20	5		ECBDLM
N=C1NC(=O)[C@H](CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)S1	ZINC000833089004	588520630	/nfs/dbraw/zinc/52/06/30/588520630.db2.gz	LMQYXHAYYHIWGY-QMMMGPOBSA-N	-1	2	338.301	0.788	20	5		ECBDLM
O=C([O-])N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C(=O)C1	ZINC000834006076	588586206	/nfs/dbraw/zinc/58/62/06/588586206.db2.gz	SCIUDKQCOCDDLI-UHFFFAOYSA-N	-1	2	338.276	0.061	20	5		ECBDLM
CS(=O)(=O)c1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[n-]1	ZINC000356516319	437776634	/nfs/dbraw/zinc/77/66/34/437776634.db2.gz	SZZAXSCLOCHDSS-UHFFFAOYSA-N	-1	2	327.278	0.074	20	5		ECBDLM
CS(=O)(=O)c1nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n[n-]1	ZINC000356516319	437776637	/nfs/dbraw/zinc/77/66/37/437776637.db2.gz	SZZAXSCLOCHDSS-UHFFFAOYSA-N	-1	2	327.278	0.074	20	5		ECBDLM
CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1	ZINC000356516319	437776641	/nfs/dbraw/zinc/77/66/41/437776641.db2.gz	SZZAXSCLOCHDSS-UHFFFAOYSA-N	-1	2	327.278	0.074	20	5		ECBDLM
C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1	ZINC000125985428	436780691	/nfs/dbraw/zinc/78/06/91/436780691.db2.gz	UAIXEDPYHRSILT-CMPLNLGQSA-N	-1	2	329.378	0.592	20	5		ECBDLM
O=C([O-])Cn1cnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	ZINC000833276615	588533238	/nfs/dbraw/zinc/53/32/38/588533238.db2.gz	KGRJHIPHPNNFDS-UHFFFAOYSA-N	-1	2	345.268	0.211	20	5		ECBDLM
O=C([O-])c1cn(C2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)nn1	ZINC000833784005	588567294	/nfs/dbraw/zinc/56/72/94/588567294.db2.gz	VRVXLWRRJSQFCJ-UHFFFAOYSA-N	-1	2	333.260	0.287	20	5		ECBDLM
Cc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)cc1[N+](=O)[O-]	ZINC000738655508	579644049	/nfs/dbraw/zinc/64/40/49/579644049.db2.gz	ZYWXXYNSEXXPAI-UHFFFAOYSA-N	-1	2	340.317	0.985	20	5		ECBDLM
C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000590368325	438914788	/nfs/dbraw/zinc/91/47/88/438914788.db2.gz	YGHAOVSDBGDFMT-SFYZADRCSA-N	-1	2	348.319	0.812	20	5		ECBDLM
Cn1ncc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C(=O)[O-]	ZINC000774621937	579252441	/nfs/dbraw/zinc/25/24/41/579252441.db2.gz	OPMCOUCHUHGLLO-UHFFFAOYSA-N	-1	2	344.280	0.966	20	5		ECBDLM
Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000432189476	438185925	/nfs/dbraw/zinc/18/59/25/438185925.db2.gz	BWYJHOFSYLUPPL-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
Cc1cc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000738478351	579633316	/nfs/dbraw/zinc/63/33/16/579633316.db2.gz	LZEKSNWRGZHHSJ-UHFFFAOYSA-N	-1	2	340.317	0.985	20	5		ECBDLM
CCn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c([N+](=O)[O-])n1	ZINC000833683798	588558578	/nfs/dbraw/zinc/55/85/78/588558578.db2.gz	ZBQHGDQKOFGMEH-UHFFFAOYSA-N	-1	2	343.321	0.649	20	5		ECBDLM
Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000348449893	321275503	/nfs/dbraw/zinc/27/55/03/321275503.db2.gz	AQXZSNDAKMRNHW-UHFFFAOYSA-N	-1	2	326.290	0.827	20	5		ECBDLM
CC(C)[C@H](C(=O)[O-])C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000863957295	590048891	/nfs/dbraw/zinc/04/88/91/590048891.db2.gz	WJOGBSURCOTJBF-VIFPVBQESA-N	-1	2	331.306	0.152	20	5		ECBDLM
CC(C)(CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)NC(=O)[O-]	ZINC000823882053	587747233	/nfs/dbraw/zinc/74/72/33/587747233.db2.gz	OMOHARCAAWQHEF-UHFFFAOYSA-N	-1	2	346.321	0.231	20	5		ECBDLM
C[C@@H](CN(C)C(=O)[O-])C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000824867041	587899370	/nfs/dbraw/zinc/89/93/70/587899370.db2.gz	ABTCOBAIMAMABM-ZETCQYMHSA-N	-1	2	346.321	0.041	20	5		ECBDLM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1	ZINC000825336023	587933205	/nfs/dbraw/zinc/93/32/05/587933205.db2.gz	QPTFDADZYAZFTM-QPUJVOFHSA-N	-1	2	339.304	0.798	20	5		ECBDLM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])n1	ZINC000600651257	439682467	/nfs/dbraw/zinc/68/24/67/439682467.db2.gz	FDUYLHRCHCEYQQ-BYPYZUCNSA-N	-1	2	346.243	0.012	20	5		ECBDLM
C[C@H](CN(C)C(=O)[O-])C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000824867039	587899290	/nfs/dbraw/zinc/89/92/90/587899290.db2.gz	ABTCOBAIMAMABM-SSDOTTSWSA-N	-1	2	346.321	0.041	20	5		ECBDLM
O=C([O-])Cn1cc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cn1	ZINC000739912177	579721810	/nfs/dbraw/zinc/72/18/10/579721810.db2.gz	ZSBFSOCOPNRFIC-UHFFFAOYSA-N	-1	2	344.280	0.816	20	5		ECBDLM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000863956846	590048779	/nfs/dbraw/zinc/04/87/79/590048779.db2.gz	PLERGMBYWPEOGP-VIFPVBQESA-N	-1	2	345.333	0.542	20	5		ECBDLM