smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n(C)c1=O	ZINC000101761700	302897306	/nfs/dbraw/zinc/89/73/06/302897306.db2.gz	IMNYGHLYCSSHGT-JTQLQIEISA-N	-1	0	345.315	0.137	50	5		ECBARM
CC(=O)NCCNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000040464795	202440173	/nfs/dbraw/zinc/44/01/73/202440173.db2.gz	DSQOWIQAMUUECD-MRVPVSSYSA-N	-1	0	338.320	0.346	50	5		ECBARM
CC(C)OC(=O)c1[n-][nH]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100671523	436547626	/nfs/dbraw/zinc/54/76/26/436547626.db2.gz	QOJWPAGWJUVIRS-QWRGUYRKSA-N	-1	0	346.299	0.364	50	5		ECBARM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(CCO)CC1	ZINC000008443373	304228000	/nfs/dbraw/zinc/22/80/00/304228000.db2.gz	NHUNQOYVQPNQDB-UHFFFAOYSA-N	-1	0	340.292	0.316	50	5		ECBARM
CS(=O)(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004517226	435981510	/nfs/dbraw/zinc/98/15/10/435981510.db2.gz	KFPFJKADCNQPPQ-VIFPVBQESA-N	-1	0	347.305	0.803	50	5		ECBARM
CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)NS(C)(=O)=O	ZINC000071890874	436029196	/nfs/dbraw/zinc/02/91/96/436029196.db2.gz	YSRBHLGLLYUHQR-UHFFFAOYSA-N	-1	0	331.350	0.358	50	5		ECBARM
CS(=O)(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000024780015	436139361	/nfs/dbraw/zinc/13/93/61/436139361.db2.gz	SMYAOKJYNCCRJC-UHFFFAOYSA-N	-1	0	343.361	0.408	50	5		ECBARM
O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(CCO)CC2)c([N+](=O)[O-])c1	ZINC000008427395	304227678	/nfs/dbraw/zinc/22/76/78/304227678.db2.gz	IMTUMPWLHXLLJV-UHFFFAOYSA-N	-1	0	340.292	0.316	50	5		ECBARM
Cn1nc([N+](=O)[O-])nc1Sc1nnnn1-c1cccc(C(=O)[O-])c1	ZINC000001845326	435961617	/nfs/dbraw/zinc/96/16/17/435961617.db2.gz	CPWMOSQNTVSDBD-UHFFFAOYSA-N	-1	0	348.304	0.548	50	5		ECBARM
Cn1c(=O)c2c([O-])c([N+](=O)[O-])c(=O)n(-c3ccccc3)c2n(C)c1=O	ZINC000000161674	435948693	/nfs/dbraw/zinc/94/86/93/435948693.db2.gz	GVXWDASBKYMEAC-UHFFFAOYSA-N	-1	0	344.283	0.002	50	5		ECBARM
C[C@@]1(NC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCS(=O)(=O)C1	ZINC000020502995	202046996	/nfs/dbraw/zinc/04/69/96/202046996.db2.gz	LJQMJEBYJPWNJJ-GFCCVEGCSA-N	-1	0	329.334	0.999	50	5		ECBARM
O=c1ccc(=O)n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n-]1	ZINC000019818412	436108543	/nfs/dbraw/zinc/10/85/43/436108543.db2.gz	JJYVRDHCJHBYMI-UHFFFAOYSA-N	-1	0	331.332	0.637	50	5		ECBARM
O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000004136633	210129670	/nfs/dbraw/zinc/12/96/70/210129670.db2.gz	SFHVSASNRLSIDT-JTQLQIEISA-N	-1	0	330.256	0.610	50	5		ECBARM
O=C([O-])CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000003887514	210085420	/nfs/dbraw/zinc/08/54/20/210085420.db2.gz	QRJVNKHBCYPSLO-UHFFFAOYSA-N	-1	0	329.334	0.558	50	5		ECBARM
O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000089768250	217840530	/nfs/dbraw/zinc/84/05/30/217840530.db2.gz	QCYGIXUDAAVFEZ-UHFFFAOYSA-N	-1	0	342.109	0.699	50	5		ECBARM
CCOC(=O)[C@@H](Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1)NC(C)=O	ZINC000003142211	435971733	/nfs/dbraw/zinc/97/17/33/435971733.db2.gz	SJSFXFJUJDOSND-SECBINFHSA-N	-1	0	341.276	0.819	50	5		ECBARM
CN(C)S(=O)(=O)[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000105204809	289264522	/nfs/dbraw/zinc/26/45/22/289264522.db2.gz	BGLCPSGLGGYHAI-UHFFFAOYSA-N	-1	0	335.254	0.630	50	5		ECBARM
CC(C)(C(=O)N1NC=C[C@]1(O)C(F)(F)F)n1cc([N+](=O)[O-])cn1	ZINC000006262523	278271625	/nfs/dbraw/zinc/27/16/25/278271625.db2.gz	RCMDBBWPFRNUIT-JTQLQIEISA-N	-1	0	335.242	0.995	50	5		ECBARM
COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1	ZINC000054040626	436544135	/nfs/dbraw/zinc/54/41/35/436544135.db2.gz	NDTJEJBKURYDID-UHFFFAOYSA-N	-1	0	340.317	0.765	50	5		ECBARM
Cn1c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n(C)c1=O	ZINC000101761705	436550037	/nfs/dbraw/zinc/55/00/37/436550037.db2.gz	IMNYGHLYCSSHGT-SNVBAGLBSA-N	-1	0	345.315	0.137	50	5		ECBARM
O=c1[n-]n2cc(-n3cc([N+](=O)[O-])cn3)cnc2c1Br	ZINC000001103308	304814921	/nfs/dbraw/zinc/81/49/21/304814921.db2.gz	ISIBVDDMXCRLOX-UHFFFAOYSA-N	-1	0	325.082	0.879	50	5		ECBARM
O=C([O-])CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000004730833	210262220	/nfs/dbraw/zinc/26/22/20/210262220.db2.gz	MEGHHAHAKFAFMJ-UHFFFAOYSA-N	-1	0	343.361	0.376	50	5		ECBARM
O=c1[n-]c(=O)n(Cc2ccn(-c3cccc(F)c3)n2)cc1[N+](=O)[O-]	ZINC000071905446	436026049	/nfs/dbraw/zinc/02/60/49/436026049.db2.gz	LAWBDLIPZIEMFA-UHFFFAOYSA-N	-1	0	331.263	0.818	50	5		ECBARM
CCS(=O)(=O)CCn1ccc([N-]c2ncc([N+](=O)[O-])c(N)n2)n1	ZINC000071922356	436031317	/nfs/dbraw/zinc/03/13/17/436031317.db2.gz	PWBHHLAIRHMLIR-UHFFFAOYSA-N	-1	0	341.353	0.342	50	5		ECBARM
Cn1c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101763703	219162379	/nfs/dbraw/zinc/16/23/79/219162379.db2.gz	LOVJEIKAVGKVNL-SECBINFHSA-N	-1	0	331.288	0.126	50	5		ECBARM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C(N)=O	ZINC000095997429	218503097	/nfs/dbraw/zinc/50/30/97/218503097.db2.gz	QDDOXANVVGOSEJ-UHFFFAOYSA-N	-1	0	339.333	0.834	50	5		ECBARM
CNC(=O)[C@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C)C[C@H]21	ZINC000229809560	242201639	/nfs/dbraw/zinc/20/16/39/242201639.db2.gz	LLYRGLCZNALYTR-BBRMVZONSA-N	-1	0	348.359	0.088	50	5		ECBARM
Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)ccc1[N+](=O)[O-]	ZINC000089591393	436413211	/nfs/dbraw/zinc/41/32/11/436413211.db2.gz	HHDLPPILUNQPFE-UHFFFAOYSA-N	-1	0	325.306	0.526	50	5		ECBARM
O=[N+]([O-])c1ccc([O-])c(NC(=S)N[C@@H]2CCS(=O)(=O)C2)c1	ZINC000035448436	213028604	/nfs/dbraw/zinc/02/86/04/213028604.db2.gz	GDJSNLBIJPFHGN-SSDOTTSWSA-N	-1	0	331.375	0.774	50	5		ECBARM
NNc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000012956539	436058138	/nfs/dbraw/zinc/05/81/38/436058138.db2.gz	KGVNSXPJUPZHCR-UHFFFAOYSA-N	-1	0	344.349	0.366	50	5		ECBARM
CC(=O)NCCNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013276609	436063005	/nfs/dbraw/zinc/06/30/05/436063005.db2.gz	DSQOWIQAMUUECD-QMMMGPOBSA-N	-1	0	338.320	0.346	50	5		ECBARM
COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000015016903	436076685	/nfs/dbraw/zinc/07/66/85/436076685.db2.gz	MBKRQLPNDTWUHT-LLVKDONJSA-N	-1	0	332.276	0.749	50	5		ECBARM
O=C([O-])CC[C@@H](C(=O)[O-])[N@H+]1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000068758648	304057493	/nfs/dbraw/zinc/05/74/93/304057493.db2.gz	DVTHICUIVJVDAH-BIMULSAOSA-N	-1	0	343.292	0.001	50	5		ECBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000004873375	210310603	/nfs/dbraw/zinc/31/06/03/210310603.db2.gz	OWQOAHQMXWIAFZ-MNOVXSKESA-N	-1	0	346.299	0.284	50	5		ECBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100949820	219112875	/nfs/dbraw/zinc/11/28/75/219112875.db2.gz	OWQOAHQMXWIAFZ-WDEREUQCSA-N	-1	0	346.299	0.284	50	5		ECBARM
CNC(=O)[C@@]1(C(=O)[O-])Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C)C[C@H]21	ZINC000229809567	242199955	/nfs/dbraw/zinc/19/99/55/242199955.db2.gz	LLYRGLCZNALYTR-XJKSGUPXSA-N	-1	0	348.359	0.088	50	5		ECBARM
Cn1c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101763700	219162368	/nfs/dbraw/zinc/16/23/68/219162368.db2.gz	LOVJEIKAVGKVNL-VIFPVBQESA-N	-1	0	331.288	0.126	50	5		ECBARM
C[C@@H]1CN(c2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])C[C@@H](C)O1	ZINC000009193206	297083999	/nfs/dbraw/zinc/08/39/99/297083999.db2.gz	BYXJHMCZFOTLCG-RNFRBKRXSA-N	-1	0	326.313	0.077	50	5		ECBARM
NS(=O)(=O)c1ccc(N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000003888631	435977803	/nfs/dbraw/zinc/97/78/03/435977803.db2.gz	FMWAASBZQRDUQY-UHFFFAOYSA-N	-1	0	329.334	0.543	50	5		ECBARM
O=C([O-])COCC(=O)Nc1cc(SCCO)cc([N+](=O)[O-])c1	ZINC000002760687	435969291	/nfs/dbraw/zinc/96/92/91/435969291.db2.gz	VYJJVMNRBQTHPM-UHFFFAOYSA-N	-1	0	330.318	0.719	50	5		ECBARM
NC(=O)COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000005042082	435984620	/nfs/dbraw/zinc/98/46/20/435984620.db2.gz	ONQHBEDYQNLODX-ZZXKWVIFSA-N	-1	0	332.272	0.418	50	5		ECBARM
COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000015016904	436075852	/nfs/dbraw/zinc/07/58/52/436075852.db2.gz	MBKRQLPNDTWUHT-NSHDSACASA-N	-1	0	332.276	0.749	50	5		ECBARM
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000004324294	435976710	/nfs/dbraw/zinc/97/67/10/435976710.db2.gz	IXMYIVNVIIYNMT-VXGBXAGGSA-N	-1	0	334.332	0.749	50	5		ECBARM
NC(=O)CCn1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000225662688	303247985	/nfs/dbraw/zinc/24/79/85/303247985.db2.gz	PSRDSBCIFFDYSA-UHFFFAOYSA-N	-1	0	339.333	0.468	50	5		ECBARM
O=C([O-])Cn1nnnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000002250902	201527733	/nfs/dbraw/zinc/52/77/33/201527733.db2.gz	MSAOEBBRWVUSTE-UHFFFAOYSA-N	-1	0	338.305	0.397	50	5		ECBARM
C[C@@H]1CN(c2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000009193204	297083822	/nfs/dbraw/zinc/08/38/22/297083822.db2.gz	BYXJHMCZFOTLCG-KNVOCYPGSA-N	-1	0	326.313	0.077	50	5		ECBARM
Cn1cc(C(=O)[O-])c(C(=O)NCCSc2n[nH]cc2[N+](=O)[O-])n1	ZINC000020616094	202051219	/nfs/dbraw/zinc/05/12/19/202051219.db2.gz	KOHHVTAWDSCLNP-UHFFFAOYSA-N	-1	0	340.321	0.272	50	5		ECBARM
Cn1c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)n(C)c1=O	ZINC000101761746	436550564	/nfs/dbraw/zinc/55/05/64/436550564.db2.gz	LMENEYTYQUQSNE-JTQLQIEISA-N	-1	0	345.315	0.137	50	5		ECBARM
NNc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013398338	436062947	/nfs/dbraw/zinc/06/29/47/436062947.db2.gz	IMEDWVRZRKNOJS-VIFPVBQESA-N	-1	0	330.322	0.118	50	5		ECBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100949821	204000409	/nfs/dbraw/zinc/00/04/09/204000409.db2.gz	OWQOAHQMXWIAFZ-QWRGUYRKSA-N	-1	0	346.299	0.284	50	5		ECBARM
CC(C)OC(=O)c1[n-][nH]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000101363267	204004608	/nfs/dbraw/zinc/00/46/08/204004608.db2.gz	QOJWPAGWJUVIRS-WDEREUQCSA-N	-1	0	346.299	0.364	50	5		ECBARM
COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000390835147	438437156	/nfs/dbraw/zinc/43/71/56/438437156.db2.gz	DPZNLLIBTRMFDO-UHFFFAOYSA-N	-1	0	340.317	0.765	50	5		ECBARM
COc1cc(-c2nn(CC(=O)[O-])c(=O)o2)c([N+](=O)[O-])cc1OC	ZINC000040448112	213304706	/nfs/dbraw/zinc/30/47/06/213304706.db2.gz	VMAZEJRPISAKIP-UHFFFAOYSA-N	-1	0	325.233	0.513	50	5		ECBARM
O=C([O-])CN1C(=O)c2cc([N+](=O)[O-])c(N3CCOCC3)cc2C1=O	ZINC000004140289	304067182	/nfs/dbraw/zinc/06/71/82/304067182.db2.gz	YMDBWIJENJSOCX-UHFFFAOYSA-N	-1	0	335.272	0.112	50	5		ECBARM
CS(=O)(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000012554699	211408879	/nfs/dbraw/zinc/40/88/79/211408879.db2.gz	OZNFJTODVMDLGA-UHFFFAOYSA-N	-1	0	343.361	0.811	50	5		ECBARM
C[C@H](O)CNc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000009339440	436035017	/nfs/dbraw/zinc/03/50/17/436035017.db2.gz	UDMAQCMMDNUCLO-QMMMGPOBSA-N	-1	0	347.349	0.141	50	5		ECBARM
CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000408514131	438581190	/nfs/dbraw/zinc/58/11/90/438581190.db2.gz	UOKZOHXLYGSLMM-VIFPVBQESA-N	-1	0	343.361	0.312	50	5		ECBARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000003152691	435969913	/nfs/dbraw/zinc/96/99/13/435969913.db2.gz	CKBXSKNUGJBECF-UHFFFAOYSA-N	-1	0	326.290	0.081	50	5		ECBARM
O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000004324292	435978622	/nfs/dbraw/zinc/97/86/22/435978622.db2.gz	IXMYIVNVIIYNMT-RYUDHWBXSA-N	-1	0	334.332	0.749	50	5		ECBARM
CS(=O)(=O)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004517227	295505292	/nfs/dbraw/zinc/50/52/92/295505292.db2.gz	KFPFJKADCNQPPQ-SECBINFHSA-N	-1	0	347.305	0.803	50	5		ECBARM
C[C@]1(NC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCS(=O)(=O)C1	ZINC000020502997	212140515	/nfs/dbraw/zinc/14/05/15/212140515.db2.gz	LJQMJEBYJPWNJJ-LBPRGKRZSA-N	-1	0	329.334	0.999	50	5		ECBARM
CCOC(=O)[C@H](Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1)NC(C)=O	ZINC000002571400	435967892	/nfs/dbraw/zinc/96/78/92/435967892.db2.gz	SJSFXFJUJDOSND-VIFPVBQESA-N	-1	0	341.276	0.819	50	5		ECBARM
C[C@@H](O)CNc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000009339441	436035511	/nfs/dbraw/zinc/03/55/11/436035511.db2.gz	UDMAQCMMDNUCLO-MRVPVSSYSA-N	-1	0	347.349	0.141	50	5		ECBARM
NC(=O)COc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000015230453	436079585	/nfs/dbraw/zinc/07/95/85/436079585.db2.gz	UCHUKJLFMCMRQL-AATRIKPKSA-N	-1	0	332.272	0.006	50	5		ECBARM
O=C([O-])CC[C@H](C(=O)[O-])[N@H+]1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000229705307	304060713	/nfs/dbraw/zinc/06/07/13/304060713.db2.gz	DVTHICUIVJVDAH-WQAKAFBOSA-N	-1	0	343.292	0.001	50	5		ECBARM
O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000004324291	210171309	/nfs/dbraw/zinc/17/13/09/210171309.db2.gz	IXMYIVNVIIYNMT-NEPJUHHUSA-N	-1	0	334.332	0.749	50	5		ECBARM
COC(=O)[C@H](CCC(=O)[O-])n1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1	ZINC000261491905	244594184	/nfs/dbraw/zinc/59/41/84/244594184.db2.gz	FLVVESBRRJOJQR-LURJTMIESA-N	-1	0	329.221	0.244	50	5		ECBARM
CC(C)OC(=O)c1[n-][nH]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000101363270	219123755	/nfs/dbraw/zinc/12/37/55/219123755.db2.gz	QOJWPAGWJUVIRS-GHMZBOCLSA-N	-1	0	346.299	0.364	50	5		ECBARM
Cn1c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)n(C)c1=O	ZINC000101761751	219163157	/nfs/dbraw/zinc/16/31/57/219163157.db2.gz	LMENEYTYQUQSNE-SNVBAGLBSA-N	-1	0	345.315	0.137	50	5		ECBARM
O=[N+]([O-])c1ccc([O-])c(NC(=S)N[C@H]2CCS(=O)(=O)C2)c1	ZINC000035448438	213028088	/nfs/dbraw/zinc/02/80/88/213028088.db2.gz	GDJSNLBIJPFHGN-ZETCQYMHSA-N	-1	0	331.375	0.774	50	5		ECBARM
CN(C)c1noc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	ZINC000170599231	436946517	/nfs/dbraw/zinc/94/65/17/436946517.db2.gz	FOSBMMPNQYJNLW-UHFFFAOYSA-N	-1	0	345.312	0.661	50	5		ECBARM
Cn1c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101763766	219162422	/nfs/dbraw/zinc/16/24/22/219162422.db2.gz	QWXKXTYCMXKDFT-VIFPVBQESA-N	-1	0	331.288	0.126	50	5		ECBARM
CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000072275863	436039362	/nfs/dbraw/zinc/03/93/62/436039362.db2.gz	ZCCAVGQJESOTQO-UHFFFAOYSA-N	-1	0	343.361	0.624	50	5		ECBARM
CS(=O)(=O)NC1CCN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000013462610	436062506	/nfs/dbraw/zinc/06/25/06/436062506.db2.gz	SRCWMPYRXPXEAY-UHFFFAOYSA-N	-1	0	343.361	0.811	50	5		ECBARM
CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cn1	ZINC000225698663	436712724	/nfs/dbraw/zinc/71/27/24/436712724.db2.gz	ODMCEXCEJDNNQJ-UHFFFAOYSA-N	-1	0	345.362	0.400	50	5		ECBARM
CN(C)c1n[nH]c(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	ZINC000874434896	590240056	/nfs/dbraw/zinc/24/00/56/590240056.db2.gz	HBTQXBHTQZYADB-UHFFFAOYSA-N	-1	0	344.328	0.397	50	5		ECBARM
CN(C)c1noc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000189519443	437605153	/nfs/dbraw/zinc/60/51/53/437605153.db2.gz	XSGOROMUBIZAGK-UHFFFAOYSA-N	-1	0	327.322	0.522	50	5		ECBARM
NC(=O)c1nnn2c1sc1c(C(=O)[O-])nnn1c1ccccc12	ZINC000003772546	303353065	/nfs/dbraw/zinc/35/30/65/303353065.db2.gz	FADOGJBMEYWIMS-UHFFFAOYSA-N	-1	0	329.301	0.346	50	5		ECBARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100753478	219106138	/nfs/dbraw/zinc/10/61/38/219106138.db2.gz	OWQOAHQMXWIAFZ-GHMZBOCLSA-N	-1	0	346.299	0.284	50	5		ECBARM
C[C@H]1CN(c2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000009193205	300301747	/nfs/dbraw/zinc/30/17/47/300301747.db2.gz	BYXJHMCZFOTLCG-BQBZGAKWSA-N	-1	0	326.313	0.077	50	5		ECBARM
Cn1c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2n(C)c1=O	ZINC000004016881	210099772	/nfs/dbraw/zinc/09/97/72/210099772.db2.gz	XRQVXRYKODLDKZ-HWKANZROSA-N	-1	0	343.299	0.745	50	5		ECBARM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000004324295	210171437	/nfs/dbraw/zinc/17/14/37/210171437.db2.gz	IXMYIVNVIIYNMT-NWDGAFQWSA-N	-1	0	334.332	0.749	50	5		ECBARM
O=c1[n-]c(CCNc2ncc(Br)cc2[N+](=O)[O-])n[nH]1	ZINC000095416558	218355557	/nfs/dbraw/zinc/35/55/57/218355557.db2.gz	VINLAWGHYVEFCZ-UHFFFAOYSA-N	-1	0	329.114	0.818	50	5		ECBARM
O=C([O-])[C@@H](Cc1c[nH]cn1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000004136635	210128846	/nfs/dbraw/zinc/12/88/46/210128846.db2.gz	SFHVSASNRLSIDT-SNVBAGLBSA-N	-1	0	330.256	0.610	50	5		ECBARM
Cn1c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101763771	219162646	/nfs/dbraw/zinc/16/26/46/219162646.db2.gz	QWXKXTYCMXKDFT-SECBINFHSA-N	-1	0	331.288	0.126	50	5		ECBARM
NNc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000012956544	436056399	/nfs/dbraw/zinc/05/63/99/436056399.db2.gz	IMEDWVRZRKNOJS-SECBINFHSA-N	-1	0	330.322	0.118	50	5		ECBARM
CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000408514130	438581268	/nfs/dbraw/zinc/58/12/68/438581268.db2.gz	UOKZOHXLYGSLMM-SECBINFHSA-N	-1	0	343.361	0.312	50	5		ECBARM
CC(C)OC(=O)c1[n-][nH]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000006256377	435996577	/nfs/dbraw/zinc/99/65/77/435996577.db2.gz	QOJWPAGWJUVIRS-MNOVXSKESA-N	-1	0	346.299	0.364	50	5		ECBARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1	ZINC000012476780	211392142	/nfs/dbraw/zinc/39/21/42/211392142.db2.gz	JKYOFRHSBYEJDI-UHFFFAOYSA-N	-1	0	344.280	0.220	50	5		ECBARM
Cn1nc([N+](=O)[O-])nc1Sc1nnnn1-c1ccc(C(=O)[O-])cc1	ZINC000001901472	435960899	/nfs/dbraw/zinc/96/08/99/435960899.db2.gz	FEWDUKSJGRPQCZ-UHFFFAOYSA-N	-1	0	348.304	0.548	50	5		ECBARM
O=C(NCCc1n[nH]c(=O)[n-]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000078998186	436286135	/nfs/dbraw/zinc/28/61/35/436286135.db2.gz	LDUPKCCNHVLXDG-UHFFFAOYSA-N	-1	0	345.237	0.998	50	5		ECBARM
COC(=O)[C@@H](CCC(=O)[O-])n1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1	ZINC000261491906	244595585	/nfs/dbraw/zinc/59/55/85/244595585.db2.gz	FLVVESBRRJOJQR-ZCFIWIBFSA-N	-1	0	329.221	0.244	50	5		ECBARM